#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdp n LYS 20 N 0.00 3.64 -0.05 0.00 5.02 -1.26 -5.05 118.16 120.46 3kdp n LYS 20 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3kdp n LYS 20 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 3kdp n LYS 20 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kdp n LYS 21 N 0.00 -2.24 0.11 1.97 4.76 -1.26 -4.63 118.16 116.87 3kdp n LYS 21 Ca 0.00 -0.25 -0.24 0.00 -2.87 0.00 0.00 58.31 54.95 3kdp n LYS 21 Cb 0.00 -0.34 -0.15 0.00 -1.84 0.00 0.00 35.03 32.70 3kdp n LYS 21 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kdp h GLU 22 N 0.00 0.47 -0.07 1.97 4.39 -1.99 -2.40 114.58 116.95 3kdp h GLU 22 Ca -0.07 -0.80 0.00 0.00 0.34 0.00 0.00 59.36 58.84 3kdp h GLU 22 Cb 0.23 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3kdp h GLU 22 CO 0.04 1.38 0.00 0.54 -1.16 0.00 0.00 179.01 179.81 3kdp n ARG 23 N -3.74 0.19 0.06 2.33 5.12 -1.26 -1.29 116.66 118.08 3kdp n ARG 23 Ca -0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 3kdp n ARG 23 Cb 1.06 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 3kdp n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3kdp n ASP 24 N -0.19 0.03 0.17 0.55 -0.08 -1.25 -4.21 116.55 111.58 3kdp n ASP 24 Ca 0.00 0.21 0.16 0.00 -1.51 0.00 0.00 54.79 53.66 3kdp n ASP 24 Cb 0.02 0.14 0.60 0.00 2.34 0.00 0.00 41.12 44.21 3kdp n ASP 24 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 3kdp h MET 25 N 0.00 0.00 0.00 -0.67 4.05 -1.41 0.13 114.93 117.03 3kdp h MET 25 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kdp h MET 25 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3kdp h MET 25 CO 0.00 0.00 -0.28 -3.47 0.23 0.00 0.00 176.91 173.39 3kdp n ASP 26 N -3.14 1.04 -0.02 1.39 2.03 -0.41 -4.30 116.55 113.14 3kdp n ASP 26 Ca 0.05 -0.42 -0.09 0.00 0.52 0.00 0.00 54.79 54.86 3kdp n ASP 26 Cb 0.75 1.01 -0.14 0.00 -0.72 0.00 0.00 41.12 42.02 3kdp n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3kdp h GLU 27 N 0.00 0.00 -0.17 -0.67 3.07 -0.90 -3.33 114.58 112.59 3kdp h GLU 27 Ca 0.00 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 3kdp h GLU 27 Cb 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3kdp h GLU 27 CO 0.00 0.54 -0.61 1.25 -1.40 0.00 0.00 179.01 178.79 3kdp h LEU 28 N 0.00 0.66 -0.28 1.33 5.85 -1.11 -2.05 115.31 119.71 3kdp h LEU 28 Ca -0.27 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3kdp h LEU 28 Cb 2.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3kdp h LEU 28 CO 0.08 1.11 0.00 0.29 -0.34 0.00 0.00 178.44 179.59 3kdp n LYS 29 N -3.94 0.12 0.00 1.25 4.76 -1.25 -2.58 118.16 116.53 3kdp n LYS 29 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3kdp n LYS 29 Cb 0.64 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.82 3kdp n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kdp n LYS 30 N -0.24 1.30 -2.77 1.97 5.02 -0.77 -4.87 118.16 117.80 3kdp n LYS 30 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3kdp n LYS 30 Cb 0.01 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 3kdp n LYS 30 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kdp s GLU 31 N -1.79 4.14 0.68 1.97 2.02 -1.07 -4.86 118.70 119.79 3kdp s GLU 31 Ca 0.00 1.02 -0.11 0.00 0.02 0.00 0.00 54.97 55.90 3kdp s GLU 31 Cb 0.00 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.03 3kdp s GLU 31 CO 0.00 -0.06 1.06 0.08 0.02 0.00 0.00 175.26 176.37 3kdp s VAL 32 N -2.25 4.01 0.00 2.63 1.01 -1.26 -5.04 120.40 119.50 3kdp s VAL 32 Ca 0.60 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3kdp s VAL 32 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3kdp s VAL 32 CO 0.17 -0.85 0.00 -1.54 0.00 0.00 0.00 175.10 172.88 3kdp n SER 33 N -3.00 0.00 -3.60 3.32 3.41 -1.26 -5.13 113.62 107.36 3kdp n SER 33 Ca 0.07 -0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 57.97 3kdp n SER 33 Cb 0.55 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 3kdp n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdp s MET 34 N -1.48 0.73 0.00 4.33 0.23 -1.26 -4.97 119.30 116.88 3kdp s MET 34 Ca 0.00 0.57 0.00 0.00 -1.03 0.00 0.00 55.69 55.23 3kdp s MET 34 Cb 0.00 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.65 3kdp s MET 34 CO 0.00 -0.15 0.00 -0.25 -2.03 0.00 0.00 175.02 172.59 3kdp n ASP 35 N 1.82 0.00 -1.08 -1.18 8.00 -1.26 -5.09 116.55 117.76 3kdp n ASP 35 Ca -0.14 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.30 3kdp n ASP 35 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 3kdp n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3kdp n ASP 36 N 0.00 -0.90 -0.09 -2.24 5.75 -1.26 -4.81 116.55 113.00 3kdp n ASP 36 Ca 0.00 -1.76 0.14 0.00 -0.01 0.00 0.00 54.79 53.16 3kdp n ASP 36 Cb 0.00 0.29 0.63 0.00 -1.03 0.00 0.00 41.12 41.01 3kdp n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kdp n HIS 37 N -0.12 0.00 1.06 2.11 1.44 -1.26 -3.54 115.22 114.91 3kdp n HIS 37 Ca -0.23 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.60 3kdp n HIS 37 Cb 0.66 -0.21 0.31 0.00 0.12 0.00 0.00 29.99 30.87 3kdp n HIS 37 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kdp n LYS 38 N -1.03 0.18 -1.26 -1.40 5.02 -1.26 -4.74 118.16 113.67 3kdp n LYS 38 Ca 0.14 -0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 3kdp n LYS 38 Cb 0.27 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.88 3kdp n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kdp s LEU 39 N -2.89 3.05 0.00 -0.35 1.43 -1.23 -5.06 118.68 113.64 3kdp s LEU 39 Ca 0.14 1.88 -0.07 0.00 -1.03 0.00 0.00 54.13 55.06 3kdp s LEU 39 Cb 0.18 -4.53 0.16 0.00 0.03 0.00 0.00 46.19 42.03 3kdp s LEU 39 CO 0.65 -2.09 1.00 -1.54 0.23 0.00 0.00 176.35 174.59 3kdp n SER 40 N -3.47 0.66 0.22 2.29 3.41 -1.26 -4.91 113.62 110.57 3kdp n SER 40 Ca 0.09 -1.72 0.10 0.00 -0.26 0.00 0.00 58.87 57.09 3kdp n SER 40 Cb 0.53 -0.71 0.46 0.00 -0.26 0.00 0.00 64.21 64.23 3kdp n SER 40 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kdp h LEU 41 N 0.00 0.00 -0.69 1.04 4.07 -1.99 -2.40 115.31 115.34 3kdp h LEU 41 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 3kdp h LEU 41 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3kdp h LEU 41 CO 0.29 0.22 -0.40 -0.67 -1.08 0.00 0.00 178.44 176.80 3kdp n ASP 42 N -3.37 1.47 0.10 -0.43 -0.08 -1.26 -3.18 116.55 109.80 3kdp n ASP 42 Ca 0.00 -1.16 -0.03 0.00 -1.51 0.00 0.00 54.79 52.09 3kdp n ASP 42 Cb 0.43 0.33 0.04 0.00 2.34 0.00 0.00 41.12 44.26 3kdp n ASP 42 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kdp h GLU 43 N 1.68 0.00 0.00 -0.67 5.08 -1.79 -3.37 114.58 115.51 3kdp h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kdp h GLU 43 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3kdp h GLU 43 CO 0.00 0.77 0.00 1.28 -1.00 0.00 0.00 179.01 180.06 3kdp n LEU 44 N -3.54 0.00 0.00 1.33 4.32 -1.09 -3.77 117.00 114.26 3kdp n LEU 44 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3kdp n LEU 44 Cb 0.77 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 3kdp n LEU 44 CO 0.44 0.00 0.00 1.57 -1.22 0.00 0.00 177.39 178.18 3kdp n HIS 45 N 0.00 0.00 0.00 -1.77 -0.00 -1.19 0.22 115.22 112.48 3kdp n HIS 45 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3kdp n HIS 45 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3kdp n HIS 45 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3kdp n ARG 46 N 0.00 0.00 -0.42 1.57 1.74 -1.26 0.74 116.66 119.03 3kdp n ARG 46 Ca 0.00 0.78 0.34 0.00 -0.77 0.00 0.00 57.85 58.20 3kdp n ARG 46 Cb 0.00 -1.36 0.56 0.00 -1.02 0.00 0.00 32.46 30.64 3kdp n ARG 46 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3kdp n LYS 47 N -2.30 -0.02 -0.02 5.56 4.81 0.61 -0.65 118.16 126.14 3kdp n LYS 47 Ca 0.00 0.96 0.01 0.00 -0.87 0.00 0.00 58.31 58.41 3kdp n LYS 47 Cb 0.00 -1.97 -0.07 0.00 0.02 0.00 0.00 35.03 33.02 3kdp n LYS 47 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kdp n TYR 48 N -4.10 0.00 0.00 5.64 4.01 -1.14 -4.98 117.16 116.58 3kdp n TYR 48 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 3kdp n TYR 48 Cb 1.33 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 3kdp n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdp n GLY 49 N 2.23 2.94 3.67 2.72 0.00 0.23 -4.95 105.19 112.02 3kdp n GLY 49 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 3kdp n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kdp n THR 50 N -2.00 1.70 0.00 2.61 5.66 -1.25 -4.94 114.28 116.06 3kdp n THR 50 Ca 0.00 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 3kdp n THR 50 Cb 0.00 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.36 3kdp n THR 50 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3kdp n ASP 51 N 1.25 0.00 0.00 1.09 -0.08 0.37 -4.58 116.55 114.60 3kdp n ASP 51 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 3kdp n ASP 51 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 3kdp n ASP 51 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3kdp n LEU 52 N 0.00 0.00 0.30 -2.67 0.00 -1.26 -4.63 117.00 108.74 3kdp n LEU 52 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.18 3kdp n LEU 52 Cb 0.00 0.00 0.85 0.00 0.00 0.00 0.00 43.42 44.27 3kdp n LEU 52 CO 0.00 0.00 1.14 0.77 0.00 0.00 0.00 177.39 179.30 3kdp h SER 53 N 0.00 0.00 0.00 1.96 4.64 -2.04 -3.37 113.55 114.75 3kdp h SER 53 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kdp h SER 53 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kdp h SER 53 CO 0.00 0.00 -0.02 -2.11 -0.87 0.00 0.00 176.83 173.83 3kdp n ARG 54 N -3.06 0.00 0.00 4.77 1.85 -1.26 -4.97 116.66 113.99 3kdp n ARG 54 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 3kdp n ARG 54 Cb 0.38 0.05 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 3kdp n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kdp n GLY 55 N 0.00 -0.93 2.30 2.89 0.00 -1.26 -2.17 105.19 106.02 3kdp n GLY 55 Ca -0.02 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 3kdp n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdp n LEU 56 N 0.00 0.00 -4.85 0.99 4.32 -1.24 0.14 117.00 116.35 3kdp n LEU 56 Ca 0.00 -1.29 -0.31 0.00 -0.02 0.00 0.00 56.01 54.39 3kdp n LEU 56 Cb 0.00 -0.36 0.02 0.00 -1.62 0.00 0.00 43.42 41.46 3kdp n LEU 56 CO 0.00 -0.76 0.72 -0.89 -1.22 0.00 0.00 177.39 175.23 3kdp s THR 57 N -1.63 4.50 -0.41 -5.08 2.01 -1.26 -1.77 115.64 111.99 3kdp s THR 57 Ca 0.39 0.82 0.23 0.00 0.31 0.00 0.00 61.69 63.44 3kdp s THR 57 Cb -0.02 -3.73 0.30 0.00 0.01 0.00 0.00 72.50 69.06 3kdp s THR 57 CO 0.26 -1.05 1.56 1.55 -0.69 0.00 0.00 174.62 176.24 3kdp h PRO 58 N -0.40 0.00 -0.06 4.92 0.13 -1.96 -3.27 132.00 131.37 3kdp h PRO 58 Ca -0.44 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 3kdp h PRO 58 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3kdp h PRO 58 CO 0.60 0.02 -0.93 0.00 -0.23 0.00 0.00 178.00 177.47 3kdp h ALA 59 N 1.98 0.24 -0.08 -0.56 0.00 -2.01 -2.26 119.26 116.58 3kdp h ALA 59 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3kdp h ALA 59 Cb 1.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kdp h ALA 59 CO 0.00 0.71 0.00 2.89 0.00 0.00 0.00 179.25 182.85 3kdp n ARG 60 N -3.87 1.18 0.00 0.00 -4.01 -1.25 -3.11 116.66 105.60 3kdp n ARG 60 Ca -0.09 -0.27 0.00 0.00 -1.04 0.00 0.00 57.85 56.45 3kdp n ARG 60 Cb 0.82 -1.07 0.00 0.00 -3.04 0.00 0.00 32.46 29.18 3kdp n ARG 60 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3kdp n ALA 61 N -0.27 0.00 0.23 2.89 0.00 -0.86 -2.28 120.51 120.22 3kdp n ALA 61 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 3kdp n ALA 61 Cb 0.07 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.79 3kdp n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp h ALA 62 N -2.00 1.46 0.00 0.00 0.00 -1.72 2.98 119.26 119.98 3kdp h ALA 62 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kdp h ALA 62 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kdp h ALA 62 CO 0.00 -0.46 -0.63 1.49 0.00 0.00 0.00 179.25 179.65 3kdp h GLU 63 N 0.00 0.00 0.00 0.00 4.81 -1.69 -2.49 114.58 115.21 3kdp h GLU 63 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kdp h GLU 63 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3kdp h GLU 63 CO 0.00 0.07 -0.53 0.82 -0.73 0.00 0.00 179.01 178.64 3kdp h ILE 64 N 0.00 0.00 0.80 2.32 2.04 0.56 -3.33 117.51 119.90 3kdp h ILE 64 Ca -0.01 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 3kdp h ILE 64 Cb 1.09 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3kdp h ILE 64 CO 0.01 0.00 -0.38 0.25 0.00 0.00 0.00 178.15 178.03 3kdp h LEU 65 N 0.00 -0.91 -0.07 1.44 7.12 -0.28 0.03 115.31 122.65 3kdp h LEU 65 Ca 0.00 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.06 3kdp h LEU 65 Cb 0.95 0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 41.25 3kdp h LEU 65 CO 0.00 -0.62 -0.54 0.00 -0.13 0.00 0.00 178.44 177.15 3kdp h ALA 66 N -0.95 -0.91 -0.94 1.25 0.00 -1.64 2.91 119.26 118.99 3kdp h ALA 66 Ca -0.11 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kdp h ALA 66 Cb 0.83 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 3kdp h ALA 66 CO 0.18 -1.10 0.60 -0.09 0.00 0.00 0.00 179.25 178.85 3kdp h ARG 67 N -0.63 0.99 0.00 0.00 2.43 -1.65 -3.24 114.38 112.28 3kdp h ARG 67 Ca 0.02 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 3kdp h ARG 67 Cb 0.70 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 3kdp h ARG 67 CO -0.40 0.66 -2.01 -0.25 -1.51 0.00 0.00 179.97 176.45 3kdp n ASP 68 N -4.52 1.24 -0.09 -3.80 9.92 -0.01 -5.12 116.55 114.18 3kdp n ASP 68 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 3kdp n ASP 68 Cb 0.24 0.96 0.00 0.00 -0.64 0.00 0.00 41.12 41.69 3kdp n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kdp n GLY 69 N 2.01 -3.07 0.00 0.44 0.00 0.97 -5.03 105.19 100.51 3kdp n GLY 69 Ca -0.23 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3kdp n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kdp n PRO 70 N -0.19 0.00 -3.02 1.61 -0.02 -1.26 -4.86 135.00 127.26 3kdp n PRO 70 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3kdp n PRO 70 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 3kdp n PRO 70 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kdp s ASN 71 N 0.00 6.43 0.00 2.55 2.47 -0.76 -4.92 114.94 120.72 3kdp s ASN 71 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.31 3kdp s ASN 71 Cb 0.00 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 3kdp s ASN 71 CO 0.00 -0.77 0.00 0.00 -3.72 0.00 0.00 177.10 172.61 3kdp n ALA 72 N 6.41 0.00 -2.85 1.71 0.00 -1.26 -4.10 120.51 120.42 3kdp n ALA 72 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3kdp n ALA 72 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 3kdp n ALA 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kdp s LEU 73 N 0.00 4.01 -0.13 0.00 1.02 -1.26 -4.03 118.68 118.30 3kdp s LEU 73 Ca 0.00 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.20 3kdp s LEU 73 Cb 0.00 -2.62 0.01 0.00 0.02 0.00 0.00 46.19 43.60 3kdp s LEU 73 CO 0.00 0.09 -0.21 0.42 0.02 0.00 0.00 176.35 176.67 3kdp s THR 74 N -1.65 1.99 0.49 5.49 -4.23 -1.26 -4.99 115.64 111.47 3kdp s THR 74 Ca 0.32 -0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 59.70 3kdp s THR 74 Cb -0.11 -1.75 -0.08 0.00 1.34 0.00 0.00 72.50 71.89 3kdp s THR 74 CO 0.25 0.54 1.01 -2.84 -0.54 0.00 0.00 174.62 173.03 3kdp s PRO 75 N 0.76 3.89 0.59 3.99 0.02 -1.26 -5.01 135.00 137.98 3kdp s PRO 75 Ca -0.09 1.21 -0.19 0.00 0.02 0.00 0.00 61.00 61.95 3kdp s PRO 75 Cb -0.16 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 3kdp s PRO 75 CO -0.00 -0.34 1.23 -2.14 -0.33 0.00 0.00 177.00 175.42 3kdp s PRO 76 N -3.45 2.98 0.88 5.54 0.02 -1.26 -4.96 135.00 134.74 3kdp s PRO 76 Ca 0.64 1.88 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 3kdp s PRO 76 Cb -0.13 -1.97 0.12 0.00 0.02 0.00 0.00 34.50 32.54 3kdp s PRO 76 CO 0.22 -1.22 1.09 -2.14 -0.33 0.00 0.00 177.00 174.63 3kdp s PRO 77 N -3.27 1.38 -0.23 5.54 0.02 -1.26 -5.02 135.00 132.16 3kdp s PRO 77 Ca 0.77 1.03 -0.01 0.00 0.02 0.00 0.00 61.00 62.81 3kdp s PRO 77 Cb -0.32 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.42 3kdp s PRO 77 CO 0.35 -2.22 -0.10 0.95 -0.33 0.00 0.00 177.00 175.65 3kdp s THR 78 N -2.85 2.64 -0.21 0.99 -4.23 -1.26 -5.07 115.64 105.64 3kdp s THR 78 Ca 0.63 -1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 59.85 3kdp s THR 78 Cb -0.19 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 3kdp s THR 78 CO 0.57 0.29 1.56 0.42 -0.54 0.00 0.00 174.62 176.92 3kdp s THR 79 N 1.31 3.78 0.49 3.99 -4.23 -1.26 -4.97 115.64 114.75 3kdp s THR 79 Ca 0.01 0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 61.33 3kdp s THR 79 Cb -0.16 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.04 3kdp s THR 79 CO -0.07 -0.29 0.36 -2.65 -0.54 0.00 0.00 174.62 171.43 3kdp n PRO 80 N 7.51 -2.39 0.12 3.99 -0.02 -1.26 -4.73 135.00 138.22 3kdp n PRO 80 Ca 0.18 -0.58 0.13 0.00 -2.02 0.00 0.00 63.50 61.21 3kdp n PRO 80 Cb 0.45 -0.64 0.36 0.00 -0.02 0.00 0.00 33.50 33.66 3kdp n PRO 80 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kdp h GLU 81 N 0.00 0.00 0.00 -0.52 4.39 -2.00 -3.07 114.58 113.38 3kdp h GLU 81 Ca -0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3kdp h GLU 81 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3kdp h GLU 81 CO 0.09 0.00 0.00 0.91 -1.16 0.00 0.00 179.01 178.85 3kdp n TRP 82 N -2.40 0.00 -0.34 4.33 7.02 -1.26 -3.01 117.44 121.78 3kdp n TRP 82 Ca 0.05 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.64 3kdp n TRP 82 Cb 0.45 0.00 0.29 0.00 -2.42 0.00 0.00 31.31 29.63 3kdp n TRP 82 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3kdp h VAL 83 N 0.00 0.72 -0.56 -0.99 2.07 -1.90 -1.52 116.25 114.07 3kdp h VAL 83 Ca 0.00 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3kdp h VAL 83 Cb 0.00 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 3kdp h VAL 83 CO 0.00 0.13 0.28 0.50 0.02 0.00 0.00 177.57 178.51 3kdp h LYS 84 N 0.73 0.80 -0.25 1.57 3.64 -1.62 0.75 116.57 122.19 3kdp h LYS 84 Ca 0.55 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.69 3kdp h LYS 84 Cb 0.82 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3kdp h LYS 84 CO -0.38 0.64 -0.38 0.35 -2.27 0.00 0.00 179.45 177.42 3kdp h PHE 85 N 0.76 0.67 0.49 1.91 3.57 -1.21 -3.34 116.94 119.78 3kdp h PHE 85 Ca 0.19 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kdp h PHE 85 Cb 0.09 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3kdp h PHE 85 CO -0.01 0.86 -0.23 0.00 -2.23 0.00 0.00 178.31 176.70 3kdp n ARG 87 N -5.07 -0.02 0.25 0.00 5.12 0.17 0.26 116.66 117.38 3kdp n ARG 87 Ca -0.08 0.88 0.14 0.00 -1.93 0.00 0.00 57.85 56.85 3kdp n ARG 87 Cb 0.26 -1.85 0.57 0.00 -1.16 0.00 0.00 32.46 30.28 3kdp n ARG 87 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kdp h GLN 88 N 0.00 0.00 -0.04 5.56 1.08 -1.69 -3.03 115.11 116.99 3kdp h GLN 88 Ca 0.68 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.88 3kdp h GLN 88 Cb 2.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.85 3kdp h GLN 88 CO -0.20 0.11 0.00 1.28 -0.95 0.00 0.00 178.83 179.07 3kdp n LEU 89 N -3.26 0.04 0.00 1.46 4.77 0.74 -0.07 117.00 120.69 3kdp n LEU 89 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3kdp n LEU 89 Cb 0.37 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kdp n LEU 89 CO 0.30 0.01 0.12 0.49 -1.33 0.00 0.00 177.39 176.98 3kdp n PHE 90 N -0.37 0.00 -1.38 -1.77 3.72 -1.14 -4.84 117.46 111.67 3kdp n PHE 90 Ca 0.00 -0.03 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 3kdp n PHE 90 Cb 0.01 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 3kdp n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kdp n GLY 91 N -0.03 -0.28 5.09 1.37 0.00 0.91 -4.50 105.19 107.75 3kdp n GLY 91 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kdp n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdp n GLY 92 N 5.61 0.21 0.00 -0.02 0.00 -1.26 -4.01 105.19 105.72 3kdp n GLY 92 Ca 0.39 0.67 0.06 0.00 0.00 0.00 0.00 46.02 47.13 3kdp n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdp n PHE 93 N 0.00 0.00 0.96 1.61 3.72 -1.26 -2.21 117.46 120.27 3kdp n PHE 93 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3kdp n PHE 93 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3kdp n PHE 93 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kdp n SER 94 N -0.90 1.71 0.04 4.37 7.64 -1.26 -1.29 113.62 123.94 3kdp n SER 94 Ca 0.09 -1.35 -0.11 0.00 1.01 0.00 0.00 58.87 58.50 3kdp n SER 94 Cb 0.04 0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 3kdp n SER 94 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3kdp h MET 95 N 1.73 -0.13 0.00 1.43 2.07 -1.68 -0.34 114.93 118.02 3kdp h MET 95 Ca 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 3kdp h MET 95 Cb 0.66 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 3kdp h MET 95 CO 0.00 -0.08 0.00 1.28 1.07 0.00 0.00 176.91 179.18 3kdp n LEU 96 N -5.20 0.26 0.17 1.22 4.77 -1.22 -3.25 117.00 113.75 3kdp n LEU 96 Ca -0.06 0.69 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 3kdp n LEU 96 Cb 0.13 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3kdp n LEU 96 CO 0.29 -0.40 0.77 -0.07 -1.33 0.00 0.00 177.39 176.65 3kdp h LEU 97 N 0.00 0.00 0.12 2.23 3.38 -1.30 0.28 115.31 120.03 3kdp h LEU 97 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3kdp h LEU 97 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kdp h LEU 97 CO 0.00 0.00 -1.97 -0.50 0.09 0.00 0.00 178.44 176.06 3kdp h TRP 98 N 0.00 0.47 0.19 1.13 4.06 -1.11 -2.81 115.95 117.88 3kdp h TRP 98 Ca 0.00 -0.34 -0.01 0.00 2.06 0.00 0.00 58.89 60.60 3kdp h TRP 98 Cb 1.38 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.52 3kdp h TRP 98 CO 0.00 1.73 -0.10 -0.84 -3.56 0.00 0.00 178.44 175.67 3kdp h ILE 99 N 0.07 0.78 -0.26 1.49 3.07 -0.42 -0.57 117.51 121.68 3kdp h ILE 99 Ca -0.41 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.02 3kdp h ILE 99 Cb 2.04 0.78 -0.04 0.00 -0.27 0.00 0.00 36.82 39.34 3kdp h ILE 99 CO 0.09 0.00 -0.20 1.23 -1.05 0.00 0.00 178.15 178.22 3kdp h GLY 100 N -0.27 -1.89 -0.77 0.16 0.00 -1.66 0.92 103.07 99.57 3kdp h GLY 100 Ca -0.02 0.94 0.09 0.00 0.00 0.00 0.00 47.33 48.34 3kdp h GLY 100 CO 0.03 -0.61 -0.40 0.00 0.00 0.00 0.00 176.54 175.56 3kdp n ALA 101 N -2.98 -0.36 -0.05 3.60 0.00 -1.00 -1.31 120.51 118.41 3kdp n ALA 101 Ca -0.00 0.69 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 3kdp n ALA 101 Cb 0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 3kdp n ALA 101 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kdp h ILE 102 N 0.00 1.37 -0.49 0.00 2.10 -0.36 -3.14 117.51 116.98 3kdp h ILE 102 Ca 0.17 -1.63 0.14 0.00 1.08 0.00 0.00 64.86 64.62 3kdp h ILE 102 Cb 0.36 2.06 -0.02 0.00 -1.09 0.00 0.00 36.82 38.14 3kdp h ILE 102 CO -0.73 0.49 0.45 0.25 -1.08 0.00 0.00 178.15 177.52 3kdp h LEU 103 N 0.07 0.00 -0.29 2.19 5.85 0.22 0.38 115.31 123.73 3kdp h LEU 103 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kdp h LEU 103 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3kdp h LEU 103 CO 0.07 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 3kdp n PHE 105 N -2.81 0.00 -0.05 0.00 3.72 0.13 -2.01 117.46 116.44 3kdp n PHE 105 Ca 0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 3kdp n PHE 105 Cb 0.44 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.76 3kdp n PHE 105 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3kdp h LEU 106 N 1.28 0.09 -1.17 4.37 5.85 -1.09 -3.28 115.31 121.35 3kdp h LEU 106 Ca 0.00 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.80 3kdp h LEU 106 Cb 0.57 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3kdp h LEU 106 CO 0.00 1.15 0.55 0.00 -0.34 0.00 0.00 178.44 179.80 3kdp h ALA 107 N -0.05 1.39 0.00 1.25 0.00 -1.37 -1.19 119.26 119.30 3kdp h ALA 107 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kdp h ALA 107 Cb 1.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kdp h ALA 107 CO -0.00 0.56 0.00 0.98 0.00 0.00 0.00 179.25 180.79 3kdp n TYR 108 N -4.40 0.00 -0.07 0.00 9.36 -0.85 -2.70 117.16 118.50 3kdp n TYR 108 Ca 0.09 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.13 3kdp n TYR 108 Cb 0.03 -0.42 -0.13 0.00 -0.63 0.00 0.00 39.34 38.19 3kdp n TYR 108 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3kdp h GLY 109 N 3.75 0.05 -0.76 2.98 0.00 -1.31 -2.43 103.07 105.35 3kdp h GLY 109 Ca 0.00 -0.14 0.23 0.00 0.00 0.00 0.00 47.33 47.43 3kdp h GLY 109 CO 0.00 0.12 0.10 1.39 0.00 0.00 0.00 176.54 178.15 3kdp n ILE 110 N -4.41 -0.32 1.02 2.60 -0.00 -0.79 0.44 119.36 117.90 3kdp n ILE 110 Ca -0.22 1.65 0.11 0.00 -0.00 0.00 0.00 62.75 64.29 3kdp n ILE 110 Cb 0.65 -2.47 0.04 0.00 -0.00 0.00 0.00 39.64 37.86 3kdp n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kdp n GLN 111 N -4.99 1.45 0.00 0.38 6.02 -1.16 -1.49 117.38 117.59 3kdp n GLN 111 Ca 0.20 -1.19 0.13 0.00 -0.01 0.00 0.00 57.00 56.14 3kdp n GLN 111 Cb 0.68 -1.48 0.40 0.00 1.02 0.00 0.00 30.24 30.86 3kdp n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kdp n ALA 112 N 0.26 3.11 0.01 -1.58 0.00 0.17 -3.20 120.51 119.28 3kdp n ALA 112 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 3kdp n ALA 112 Cb 0.49 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3kdp n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp n ALA 113 N -1.35 2.28 -1.00 0.00 0.00 0.05 -5.03 120.51 115.46 3kdp n ALA 113 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kdp n ALA 113 Cb 0.33 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3kdp n ALA 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kdp n THR 114 N -3.49 0.00 -1.56 0.00 -1.04 -0.56 -4.63 114.28 103.00 3kdp n THR 114 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.83 3kdp n THR 114 Cb 0.12 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.56 3kdp n THR 114 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3kdp n GLU 115 N 0.00 0.59 -0.29 -2.82 0.00 -1.26 -4.69 120.64 112.17 3kdp n GLU 115 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 57.16 56.25 3kdp n GLU 115 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 31.44 27.76 3kdp n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3kdp n GLU 116 N 8.79 0.00 -3.53 3.44 1.02 -1.26 -4.89 120.64 124.21 3kdp n GLU 116 Ca 0.46 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.29 3kdp n GLU 116 Cb 0.44 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.45 3kdp n GLU 116 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kdp n GLU 117 N 1.64 2.68 0.31 3.49 1.02 -1.19 -4.89 120.64 123.69 3kdp n GLU 117 Ca 0.12 -4.57 0.07 0.00 -0.02 0.00 0.00 57.16 52.76 3kdp n GLU 117 Cb -0.01 -2.34 0.34 0.00 -0.02 0.00 0.00 31.44 29.41 3kdp n GLU 117 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3kdp h PRO 118 N 5.08 0.00 -0.10 3.49 0.11 -1.90 -3.42 132.00 135.25 3kdp h PRO 118 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3kdp h PRO 118 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3kdp h PRO 118 CO 0.89 0.00 0.03 1.04 -0.21 0.00 0.00 178.00 179.75 3kdp n GLN 119 N -2.70 0.00 -0.11 1.05 6.02 -1.26 -4.62 117.38 115.76 3kdp n GLN 119 Ca 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 57.00 57.25 3kdp n GLN 119 Cb 0.78 -0.03 0.55 0.00 1.02 0.00 0.00 30.24 32.56 3kdp n GLN 119 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3kdp h ASN 120 N 0.23 0.00 0.00 1.08 2.35 -2.04 -3.40 115.58 113.80 3kdp h ASN 120 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kdp h ASN 120 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kdp h ASN 120 CO 0.03 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 3kdp n ASP 121 N -3.39 0.00 0.29 5.81 8.00 -1.26 -2.97 116.55 123.03 3kdp n ASP 121 Ca 0.18 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.83 3kdp n ASP 121 Cb 1.22 0.00 0.90 0.00 -0.02 0.00 0.00 41.12 43.23 3kdp n ASP 121 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3kdp h ASN 122 N 0.00 0.00 0.03 -2.24 2.35 -1.90 -2.29 115.58 111.52 3kdp h ASN 122 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kdp h ASN 122 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kdp h ASN 122 CO 0.00 0.03 -0.01 0.25 -1.65 0.00 0.00 177.43 176.05 3kdp h LEU 123 N 0.00 -0.03 -0.06 1.61 6.46 -1.72 -2.88 115.31 118.69 3kdp h LEU 123 Ca -0.00 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3kdp h LEU 123 Cb 0.09 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 3kdp h LEU 123 CO 0.00 0.04 -0.04 1.88 -0.62 0.00 0.00 178.44 179.71 3kdp h TYR 124 N -0.10 -0.09 0.00 1.25 -1.99 -1.36 -1.83 116.97 112.86 3kdp h TYR 124 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kdp h TYR 124 Cb 0.09 0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.87 3kdp h TYR 124 CO -0.05 -0.06 0.00 -0.11 -0.00 0.00 0.00 178.16 177.93 3kdp n LEU 125 N -5.15 0.21 -0.04 3.88 7.94 -1.14 0.55 117.00 123.24 3kdp n LEU 125 Ca -0.05 -0.10 -0.07 0.00 -1.11 0.00 0.00 56.01 54.67 3kdp n LEU 125 Cb 0.09 -0.10 -0.04 0.00 0.53 0.00 0.00 43.42 43.89 3kdp n LEU 125 CO 0.29 0.05 -0.79 0.61 -1.11 0.00 0.00 177.39 176.45 3kdp n GLY 126 N 0.11 -0.13 0.21 -3.96 0.00 -0.72 -3.98 105.19 96.73 3kdp n GLY 126 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3kdp n GLY 126 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kdp h VAL 127 N -0.08 1.29 0.59 1.61 2.07 -0.43 -0.13 116.25 121.17 3kdp h VAL 127 Ca -0.20 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 3kdp h VAL 127 Cb 1.27 1.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3kdp h VAL 127 CO -0.06 0.42 -0.28 0.58 0.02 0.00 0.00 177.57 178.25 3kdp h VAL 128 N 0.47 0.36 -1.05 2.57 2.07 -0.17 -1.39 116.25 119.10 3kdp h VAL 128 Ca 0.07 -0.21 0.28 0.00 0.82 0.00 0.00 66.70 67.65 3kdp h VAL 128 Cb 0.73 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 3kdp h VAL 128 CO 0.05 0.03 0.69 -0.07 0.02 0.00 0.00 177.57 178.30 3kdp h LEU 129 N -0.94 0.35 -0.61 2.57 3.38 -1.68 0.34 115.31 118.71 3kdp h LEU 129 Ca -0.08 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3kdp h LEU 129 Cb 0.66 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3kdp h LEU 129 CO 0.13 0.07 -0.66 0.77 0.09 0.00 0.00 178.44 178.84 3kdp h SER 130 N 0.31 0.19 0.69 -0.43 4.64 -0.75 -2.75 113.55 115.44 3kdp h SER 130 Ca 0.57 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.68 3kdp h SER 130 Cb 1.63 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 3kdp h SER 130 CO -0.23 0.79 -0.49 0.00 -0.87 0.00 0.00 176.83 176.03 3kdp h ALA 131 N 1.21 1.02 0.00 5.18 0.00 0.75 -2.32 119.26 125.10 3kdp h ALA 131 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kdp h ALA 131 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kdp h ALA 131 CO 0.10 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.25 3kdp n VAL 132 N -3.71 0.64 0.02 0.00 0.31 -0.50 -0.05 118.33 115.03 3kdp n VAL 132 Ca -0.01 0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3kdp n VAL 132 Cb 0.55 -0.83 -0.14 0.00 -0.91 0.00 0.00 33.84 32.51 3kdp n VAL 132 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kdp h VAL 133 N 0.00 1.10 0.01 2.52 2.07 -1.23 -3.17 116.25 117.55 3kdp h VAL 133 Ca 0.00 -2.87 -0.00 0.00 0.82 0.00 0.00 66.70 64.65 3kdp h VAL 133 Cb 0.51 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3kdp h VAL 133 CO 0.00 0.69 -0.01 0.40 0.02 0.00 0.00 177.57 178.68 3kdp h ILE 134 N 0.02 0.00 -0.65 4.57 2.04 -1.00 -3.07 117.51 119.43 3kdp h ILE 134 Ca -0.22 -0.05 0.26 0.00 1.00 0.00 0.00 64.86 65.85 3kdp h ILE 134 Cb 1.96 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.92 3kdp h ILE 134 CO 0.11 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.58 3kdp n ILE 135 N -2.20 -0.27 0.40 -0.67 3.06 0.92 0.15 119.36 120.75 3kdp n ILE 135 Ca -0.00 1.32 0.12 0.00 -2.50 0.00 0.00 62.75 61.69 3kdp n ILE 135 Cb 0.01 -2.13 0.25 0.00 0.54 0.00 0.00 39.64 38.31 3kdp n ILE 135 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kdp h THR 136 N 0.00 0.00 0.00 9.51 1.03 -1.64 -3.26 112.91 118.54 3kdp h THR 136 Ca 0.53 -0.76 -0.02 0.00 -0.01 0.00 0.00 66.41 66.15 3kdp h THR 136 Cb 1.40 1.69 -0.00 0.00 -1.07 0.00 0.00 68.15 70.16 3kdp h THR 136 CO -0.51 0.00 -0.24 1.23 -0.01 0.00 0.00 175.52 176.00 3kdp h GLY 137 N 4.24 0.00 -0.73 2.99 0.00 0.15 -3.07 103.07 106.65 3kdp h GLY 137 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3kdp h GLY 137 CO 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 176.11 3kdp n PHE 139 N -4.68 0.61 -0.32 0.00 3.72 -1.23 0.14 117.46 115.70 3kdp n PHE 139 Ca 0.01 0.88 0.10 0.00 -0.05 0.00 0.00 57.45 58.40 3kdp n PHE 139 Cb 0.19 -1.14 0.29 0.00 -0.94 0.00 0.00 39.48 37.88 3kdp n PHE 139 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kdp n SER 140 N -4.89 3.74 -0.12 4.37 3.41 0.91 -3.65 113.62 117.39 3kdp n SER 140 Ca 0.21 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.58 3kdp n SER 140 Cb 0.70 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 3kdp n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdp n TYR 141 N 1.41 0.25 -0.27 7.33 9.36 0.37 -3.86 117.16 131.75 3kdp n TYR 141 Ca 0.22 0.11 0.33 0.00 3.32 0.00 0.00 57.90 61.88 3kdp n TYR 141 Cb 0.58 -0.93 0.72 0.00 -0.63 0.00 0.00 39.34 39.07 3kdp n TYR 141 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 3kdp h TYR 142 N -1.00 0.00 -0.13 2.98 3.20 -0.70 0.18 116.97 121.49 3kdp h TYR 142 Ca -0.50 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.19 3kdp h TYR 142 Cb 1.41 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 3kdp h TYR 142 CO -0.11 0.00 -0.65 0.37 -1.64 0.00 0.00 178.16 176.13 3kdp h GLN 143 N 0.00 0.51 -2.39 1.82 4.15 -1.70 -3.22 115.11 114.28 3kdp h GLN 143 Ca 0.52 -0.37 -0.76 0.00 0.77 0.00 0.00 58.65 58.81 3kdp h GLN 143 Cb 2.28 0.06 -0.31 0.00 0.21 0.00 0.00 27.48 29.73 3kdp h GLN 143 CO -0.01 0.99 0.61 0.39 -1.93 0.00 0.00 178.83 178.88 3kdp n GLU 144 N -3.90 4.71 -3.66 1.69 -0.58 0.61 -3.66 120.64 115.84 3kdp n GLU 144 Ca -0.04 -4.68 -0.31 0.00 -0.42 0.00 0.00 57.16 51.71 3kdp n GLU 144 Cb 0.66 -2.43 -0.04 0.00 -0.57 0.00 0.00 31.44 29.06 3kdp n GLU 144 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdp s ALA 145 N -3.76 3.79 -0.34 0.62 0.00 -1.13 -4.93 121.76 116.00 3kdp s ALA 145 Ca 0.39 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 3kdp s ALA 145 Cb 0.17 -2.11 0.27 0.00 0.00 0.00 0.00 23.12 21.45 3kdp s ALA 145 CO -0.07 0.62 1.21 0.36 0.00 0.00 0.00 175.76 177.87 3kdp n LYS 146 N -0.07 0.17 -2.05 0.00 -0.00 -1.26 -4.66 118.16 110.28 3kdp n LYS 146 Ca -0.03 -0.77 -0.43 0.00 -0.00 0.00 0.00 58.31 57.09 3kdp n LYS 146 Cb 0.52 -0.31 -0.03 0.00 -0.00 0.00 0.00 35.03 35.21 3kdp n LYS 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3kdp s SER 147 N -0.34 6.48 -0.46 -5.58 0.15 -1.26 -4.92 113.70 107.77 3kdp s SER 147 Ca 0.26 1.90 0.03 0.00 0.70 0.00 0.00 55.95 58.85 3kdp s SER 147 Cb 0.20 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.43 3kdp s SER 147 CO -0.09 -1.13 1.49 -0.24 1.20 0.00 0.00 173.24 174.47 3kdp n SER 148 N 7.97 5.91 -4.56 5.45 2.88 -1.26 -4.97 113.62 125.03 3kdp n SER 148 Ca 0.18 -3.76 -0.24 0.00 -1.33 0.00 0.00 58.87 53.72 3kdp n SER 148 Cb 0.44 -0.60 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 3kdp n SER 148 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3kdp s LYS 149 N -3.70 2.33 -0.21 -1.46 1.02 -1.26 -4.68 119.74 111.78 3kdp s LYS 149 Ca 0.55 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.43 3kdp s LYS 149 Cb 0.44 -5.01 -0.21 0.00 -0.52 0.00 0.00 37.83 32.53 3kdp s LYS 149 CO -0.04 -3.66 -0.01 -0.89 -0.92 0.00 0.00 175.35 169.84 3kdp n ILE 150 N 8.09 1.52 -0.06 2.17 5.41 -1.26 -4.33 119.36 130.89 3kdp n ILE 150 Ca 0.42 -0.67 -0.15 0.00 1.00 0.00 0.00 62.75 63.35 3kdp n ILE 150 Cb 0.46 -1.21 -0.13 0.00 -0.71 0.00 0.00 39.64 38.05 3kdp n ILE 150 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 3kdp h MET 151 N 0.01 0.03 0.00 0.38 4.05 -1.88 -2.21 114.93 115.31 3kdp h MET 151 Ca -0.53 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 3kdp h MET 151 Cb 2.01 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.83 3kdp h MET 151 CO -0.02 1.02 0.00 0.39 0.23 0.00 0.00 176.91 178.53 3kdp n GLU 152 N -4.56 0.00 0.00 0.39 1.02 -1.26 -0.58 120.64 115.65 3kdp n GLU 152 Ca -0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.02 3kdp n GLU 152 Cb 0.51 -1.07 -0.01 0.00 -0.02 0.00 0.00 31.44 30.85 3kdp n GLU 152 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kdp n SER 153 N -0.44 0.68 -0.14 1.62 2.88 -1.18 -4.67 113.62 112.37 3kdp n SER 153 Ca 0.00 0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 3kdp n SER 153 Cb 0.00 -0.32 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 3kdp n SER 153 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3kdp h PHE 154 N -0.17 -0.87 0.00 0.66 0.05 -0.25 0.47 116.94 116.84 3kdp h PHE 154 Ca 0.00 0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.85 3kdp h PHE 154 Cb 0.17 0.45 0.00 0.00 2.00 0.00 0.00 35.95 38.57 3kdp h PHE 154 CO -0.07 -0.37 0.35 -0.22 -0.18 0.00 0.00 178.31 177.82 3kdp h LYS 155 N -0.22 0.00 -0.00 1.51 3.64 -1.12 0.49 116.57 120.87 3kdp h LYS 155 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3kdp h LYS 155 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kdp h LYS 155 CO -0.57 0.00 -0.01 0.09 -2.27 0.00 0.00 179.45 176.69 3kdp n ASN 156 N -2.13 0.05 -0.00 4.20 3.02 0.17 -3.80 115.26 116.76 3kdp n ASN 156 Ca -0.01 -0.38 0.10 0.00 -0.03 0.00 0.00 54.58 54.25 3kdp n ASN 156 Cb 0.37 -0.20 -0.13 0.00 -0.61 0.00 0.00 39.78 39.21 3kdp n ASN 156 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3kdp n MET 157 N -1.18 0.60 -1.34 3.52 2.81 0.17 -4.84 117.12 116.85 3kdp n MET 157 Ca 0.17 -0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.66 3kdp n MET 157 Cb 0.21 -1.44 0.09 0.00 -0.71 0.00 0.00 33.22 31.37 3kdp n MET 157 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3kdp s VAL 158 N -3.10 3.29 0.38 2.03 0.11 -1.25 -4.42 120.40 117.44 3kdp s VAL 158 Ca 0.00 0.42 0.08 0.00 -2.93 0.00 0.00 61.98 59.55 3kdp s VAL 158 Cb 0.14 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 3kdp s VAL 158 CO 0.81 -0.55 0.35 -2.84 -3.33 0.00 0.00 175.10 169.54 3kdp s PRO 159 N -4.97 2.62 0.04 1.54 0.02 -1.26 -5.05 135.00 127.95 3kdp s PRO 159 Ca 0.61 -1.42 -0.30 0.00 0.02 0.00 0.00 61.00 59.91 3kdp s PRO 159 Cb -0.16 -2.43 -0.16 0.00 0.02 0.00 0.00 34.50 31.76 3kdp s PRO 159 CO 0.56 -0.07 1.41 0.37 -0.33 0.00 0.00 177.00 178.94 3kdp h GLN 160 N 1.11 -1.03 -5.88 5.54 5.75 -1.97 -3.39 115.11 115.25 3kdp h GLN 160 Ca -0.43 0.07 -0.57 0.00 -0.15 0.00 0.00 58.65 57.57 3kdp h GLN 160 Cb 1.26 0.23 -0.08 0.00 1.07 0.00 0.00 27.48 29.96 3kdp h GLN 160 CO 0.57 -0.69 -0.49 -0.65 -2.65 0.00 0.00 178.83 174.93 3kdp s GLN 161 N -5.27 2.23 0.04 1.69 -1.52 -1.26 -1.47 119.66 114.10 3kdp s GLN 161 Ca -0.16 -1.87 -0.01 0.00 -1.95 0.00 0.00 55.36 51.38 3kdp s GLN 161 Cb 0.02 -1.98 -0.03 0.00 -0.22 0.00 0.00 33.01 30.80 3kdp s GLN 161 CO 0.47 -0.15 -0.02 0.00 -0.25 0.00 0.00 175.29 175.33 3kdp s ALA 162 N -2.62 0.36 -0.40 6.09 0.00 0.95 -4.55 121.76 121.60 3kdp s ALA 162 Ca 0.40 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 3kdp s ALA 162 Cb 0.03 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.43 3kdp s ALA 162 CO 0.22 -0.31 0.25 -1.17 0.00 0.00 0.00 175.76 174.75 3kdp s LEU 163 N -2.47 4.95 0.19 0.00 0.20 -1.26 -0.68 118.68 119.60 3kdp s LEU 163 Ca -0.00 -1.04 0.08 0.00 0.69 0.00 0.00 54.13 53.86 3kdp s LEU 163 Cb 0.02 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 3kdp s LEU 163 CO -0.07 -0.44 -0.16 0.68 -0.29 0.00 0.00 176.35 176.07 3kdp s VAL 164 N 1.59 1.79 0.04 1.68 -7.23 -0.70 -1.21 120.40 116.36 3kdp s VAL 164 Ca 0.03 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 3kdp s VAL 164 Cb -0.20 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3kdp s VAL 164 CO 0.07 -0.48 -0.11 0.27 -0.31 0.00 0.00 175.10 174.54 3kdp s ILE 165 N -2.59 3.31 -0.13 -0.62 -0.00 -0.55 0.07 121.20 120.69 3kdp s ILE 165 Ca 0.20 -1.03 -0.09 0.00 -0.00 0.00 0.00 60.65 59.73 3kdp s ILE 165 Cb -0.03 -2.46 0.04 0.00 -0.00 0.00 0.00 42.46 40.01 3kdp s ILE 165 CO 0.07 0.30 0.32 -0.13 -0.00 0.00 0.00 174.94 175.50 3kdp s ARG 166 N -1.63 0.34 0.00 0.37 0.52 0.05 -3.72 118.95 114.89 3kdp s ARG 166 Ca 0.17 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 3kdp s ARG 166 Cb -0.11 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.44 3kdp s ARG 166 CO 0.08 -0.09 0.00 0.09 0.02 0.00 0.00 175.30 175.41 3kdp n ASN 167 N 3.42 0.00 0.00 0.23 4.13 -0.73 -0.93 115.26 121.38 3kdp n ASN 167 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 3kdp n ASN 167 Cb 0.56 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 3kdp n ASN 167 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kdp n GLY 168 N -0.98 3.49 3.62 7.41 0.00 -1.10 -4.99 105.19 112.64 3kdp n GLY 168 Ca 0.00 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 3kdp n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdp n GLU 169 N 0.00 1.56 -3.70 1.61 4.71 -0.11 -4.98 120.64 119.72 3kdp n GLU 169 Ca 0.00 0.55 -0.36 0.00 -0.01 0.00 0.00 57.16 57.34 3kdp n GLU 169 Cb 0.00 -2.03 -0.07 0.00 -1.01 0.00 0.00 31.44 28.33 3kdp n GLU 169 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 3kdp s LYS 170 N -1.12 3.96 -0.10 3.49 -2.85 -1.26 -0.77 119.74 121.09 3kdp s LYS 170 Ca 0.63 -0.05 -0.05 0.00 -1.00 0.00 0.00 55.97 55.50 3kdp s LYS 170 Cb -0.70 -3.33 0.05 0.00 -2.06 0.00 0.00 37.83 31.78 3kdp s LYS 170 CO 0.57 0.46 0.25 0.00 0.10 0.00 0.00 175.35 176.72 3kdp s MET 171 N -0.16 0.21 0.56 1.78 0.23 0.11 -4.98 119.30 117.04 3kdp s MET 171 Ca 0.14 0.52 -0.15 0.00 -1.03 0.00 0.00 55.69 55.17 3kdp s MET 171 Cb -0.12 -0.11 -0.06 0.00 -1.53 0.00 0.00 34.83 33.01 3kdp s MET 171 CO 0.03 -0.16 1.01 -1.54 -2.03 0.00 0.00 175.02 172.33 3kdp s SER 172 N 1.22 6.30 0.22 -1.18 1.04 -1.26 -1.71 113.70 118.32 3kdp s SER 172 Ca -0.09 1.62 -0.23 0.00 0.48 0.00 0.00 55.95 57.73 3kdp s SER 172 Cb -0.10 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.55 3kdp s SER 172 CO -0.08 -0.81 0.78 0.27 0.98 0.00 0.00 173.24 174.37 3kdp s ILE 173 N -2.67 0.00 -0.33 -1.02 -4.36 0.14 -4.93 121.20 108.03 3kdp s ILE 173 Ca 0.60 -0.77 -0.40 0.00 -0.26 0.00 0.00 60.65 59.81 3kdp s ILE 173 Cb -0.12 -1.85 -0.15 0.00 1.25 0.00 0.00 42.46 41.58 3kdp s ILE 173 CO 0.37 0.00 1.85 -3.20 0.24 0.00 0.00 174.94 174.19 3kdp n ASN 174 N -0.45 2.13 0.29 4.36 2.85 -1.26 -0.03 115.26 123.15 3kdp n ASN 174 Ca -0.06 0.94 0.05 0.00 -0.11 0.00 0.00 54.58 55.39 3kdp n ASN 174 Cb 0.60 -1.12 0.24 0.00 1.24 0.00 0.00 39.78 40.74 3kdp n ASN 174 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kdp h ALA 175 N 8.10 1.68 -0.01 5.20 0.00 -1.45 0.88 119.26 133.66 3kdp h ALA 175 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kdp h ALA 175 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kdp h ALA 175 CO 0.99 -0.68 -0.39 0.39 0.00 0.00 0.00 179.25 179.56 3kdp n GLU 176 N -2.44 0.63 -0.27 0.00 1.02 -1.26 -3.34 120.64 114.99 3kdp n GLU 176 Ca -0.01 -0.41 0.09 0.00 -0.02 0.00 0.00 57.16 56.82 3kdp n GLU 176 Cb 0.74 -1.49 0.25 0.00 -0.02 0.00 0.00 31.44 30.92 3kdp n GLU 176 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kdp n GLU 177 N -0.83 2.29 -2.32 3.49 1.02 0.31 -1.83 120.64 122.77 3kdp n GLU 177 Ca 0.10 -2.00 -0.41 0.00 -0.02 0.00 0.00 57.16 54.83 3kdp n GLU 177 Cb 0.36 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3kdp n GLU 177 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kdp s VAL 178 N -1.29 3.28 0.20 2.62 1.01 -1.21 -4.87 120.40 120.15 3kdp s VAL 178 Ca 0.37 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.61 3kdp s VAL 178 Cb 0.20 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3kdp s VAL 178 CO 0.26 0.24 -0.14 0.68 0.00 0.00 0.00 175.10 176.14 3kdp s VAL 179 N -0.65 1.72 -0.94 2.92 -7.23 -1.26 -4.44 120.40 110.52 3kdp s VAL 179 Ca 0.50 -2.20 -0.25 0.00 -1.81 0.00 0.00 61.98 58.22 3kdp s VAL 179 Cb -0.35 -2.03 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 3kdp s VAL 179 CO 0.42 -0.59 2.09 -0.69 -0.31 0.00 0.00 175.10 176.02 3kdp s VAL 180 N -2.95 3.30 0.00 1.32 1.01 -1.26 -2.84 120.40 118.98 3kdp s VAL 180 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3kdp s VAL 180 Cb -0.01 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3kdp s VAL 180 CO 0.07 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.17 3kdp n GLY 181 N 6.58 1.67 2.41 4.51 0.00 -1.16 -5.03 105.19 114.18 3kdp n GLY 181 Ca 0.43 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 3kdp n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdp n ASP 182 N 0.00 0.32 -4.38 1.61 5.68 -1.13 -4.46 116.55 114.18 3kdp n ASP 182 Ca 0.00 -1.43 -0.38 0.00 -0.50 0.00 0.00 54.79 52.47 3kdp n ASP 182 Cb 0.00 -0.56 -0.12 0.00 -1.14 0.00 0.00 41.12 39.30 3kdp n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3kdp s LEU 183 N 0.00 4.12 -0.06 -2.12 2.96 -1.26 -2.27 118.68 120.05 3kdp s LEU 183 Ca 0.45 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3kdp s LEU 183 Cb -0.02 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3kdp s LEU 183 CO 0.31 -0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.21 3kdp s VAL 184 N 1.55 2.41 -0.41 1.68 1.01 -0.43 -1.49 120.40 124.73 3kdp s VAL 184 Ca 0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3kdp s VAL 184 Cb -0.18 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.40 3kdp s VAL 184 CO 0.05 0.57 0.20 -0.70 0.00 0.00 0.00 175.10 175.22 3kdp s GLU 185 N -0.25 2.14 0.13 2.72 2.12 -0.35 -1.16 118.70 124.05 3kdp s GLU 185 Ca -0.00 -1.73 -0.29 0.00 0.36 0.00 0.00 54.97 53.30 3kdp s GLU 185 Cb -0.13 -3.60 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 3kdp s GLU 185 CO 0.03 -1.03 0.94 0.14 -0.54 0.00 0.00 175.26 174.79 3kdp s VAL 186 N 1.20 4.42 0.00 3.70 -7.23 -1.09 -4.61 120.40 116.79 3kdp s VAL 186 Ca 0.06 2.03 0.00 0.00 -1.81 0.00 0.00 61.98 62.27 3kdp s VAL 186 Cb -0.23 -4.30 0.00 0.00 0.56 0.00 0.00 36.38 32.41 3kdp s VAL 186 CO -0.03 0.36 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 3kdp n LYS 187 N 2.49 3.40 -3.36 4.82 -0.00 -1.26 -0.97 118.16 123.26 3kdp n LYS 187 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.94 3kdp n LYS 187 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.46 3kdp n LYS 187 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3kdp s GLY 188 N -0.52 2.50 0.00 2.58 0.00 -1.13 -4.29 107.32 106.45 3kdp s GLY 188 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3kdp s GLY 188 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.21 3kdp n GLY 189 N 2.41 2.33 3.74 0.20 0.00 1.37 -4.95 105.19 110.28 3kdp n GLY 189 Ca -0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 3kdp n GLY 189 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kdp s ASP 190 N 0.00 1.68 0.31 1.61 3.84 -1.26 -4.44 116.67 118.42 3kdp s ASP 190 Ca 0.00 0.40 0.06 0.00 -0.00 0.00 0.00 52.55 53.01 3kdp s ASP 190 Cb 0.00 -0.49 -0.02 0.00 -1.38 0.00 0.00 42.92 41.03 3kdp s ASP 190 CO 0.00 -3.63 0.40 -0.13 -0.00 0.00 0.00 175.17 171.81 3kdp s ARG 191 N -5.67 3.13 -0.49 2.11 0.52 -1.26 -1.36 118.95 115.93 3kdp s ARG 191 Ca 0.73 -1.00 -0.17 0.00 -0.52 0.00 0.00 55.73 54.78 3kdp s ARG 191 Cb -0.06 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.70 3kdp s ARG 191 CO 0.55 0.17 0.50 0.42 0.02 0.00 0.00 175.30 176.96 3kdp s ILE 192 N -2.15 5.07 0.13 1.52 -1.09 0.22 -4.88 121.20 120.03 3kdp s ILE 192 Ca 0.41 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.76 3kdp s ILE 192 Cb -0.09 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3kdp s ILE 192 CO 0.30 -0.67 1.60 -0.65 -1.23 0.00 0.00 174.94 174.29 3kdp h PRO 193 N 8.86 -0.44 0.00 2.79 0.11 -1.89 -3.30 132.00 138.12 3kdp h PRO 193 Ca -0.28 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3kdp h PRO 193 Cb 1.10 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kdp h PRO 193 CO 0.91 -0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 3kdp n ALA 194 N -2.84 0.00 -2.60 -0.75 0.00 -1.26 -4.82 120.51 108.24 3kdp n ALA 194 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 3kdp n ALA 194 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 3kdp n ALA 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kdp s ASP 195 N 1.00 6.09 -0.12 0.00 1.01 -0.12 -3.17 116.67 121.37 3kdp s ASP 195 Ca 0.00 0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.28 3kdp s ASP 195 Cb 0.00 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3kdp s ASP 195 CO 0.00 -0.06 0.08 -0.76 0.21 0.00 0.00 175.17 174.64 3kdp s LEU 196 N 1.71 4.03 -0.25 1.23 1.43 -0.83 0.29 118.68 126.28 3kdp s LEU 196 Ca 0.09 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3kdp s LEU 196 Cb -0.16 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3kdp s LEU 196 CO 0.10 0.36 0.09 -0.60 0.23 0.00 0.00 176.35 176.53 3kdp s ARG 197 N -0.76 3.71 -0.21 1.70 3.00 0.17 -0.01 118.95 126.54 3kdp s ARG 197 Ca 0.13 -0.45 -0.23 0.00 -1.00 0.00 0.00 55.73 54.18 3kdp s ARG 197 Cb -0.12 -3.37 -0.02 0.00 0.00 0.00 0.00 34.95 31.44 3kdp s ARG 197 CO 0.03 -0.18 0.75 0.42 0.00 0.00 0.00 175.30 176.32 3kdp s ILE 198 N 1.61 4.92 0.00 4.11 1.01 0.15 -0.44 121.20 132.56 3kdp s ILE 198 Ca 0.06 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3kdp s ILE 198 Cb -0.15 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3kdp s ILE 198 CO 0.05 0.02 0.00 2.30 0.00 0.00 0.00 174.94 177.31 3kdp n ILE 199 N 4.95 0.00 -0.92 2.92 -6.64 -0.43 -4.38 119.36 114.86 3kdp n ILE 199 Ca 0.02 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.71 3kdp n ILE 199 Cb 0.49 -0.57 0.24 0.00 -1.44 0.00 0.00 39.64 38.36 3kdp n ILE 199 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 3kdp s SER 200 N -1.00 0.76 0.00 7.28 0.15 -1.25 -4.40 113.70 115.24 3kdp s SER 200 Ca 0.00 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3kdp s SER 200 Cb 0.00 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 3kdp s SER 200 CO 0.00 -4.24 0.00 0.00 1.20 0.00 0.00 173.24 170.20 3kdp n ALA 201 N -4.87 0.00 -2.96 5.45 0.00 -1.26 -2.66 120.51 114.22 3kdp n ALA 201 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3kdp n ALA 201 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 3kdp n ALA 201 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kdp s ASN 202 N 0.00 -0.08 -0.62 0.00 3.84 0.56 -4.91 114.94 113.72 3kdp s ASN 202 Ca 0.00 0.16 -0.10 0.00 0.21 0.00 0.00 52.86 53.14 3kdp s ASN 202 Cb 0.00 0.17 0.01 0.00 -0.55 0.00 0.00 41.25 40.88 3kdp s ASN 202 CO 0.00 -0.03 0.18 0.61 -2.79 0.00 0.00 177.10 175.07 3kdp n GLY 203 N 3.04 -0.24 3.08 1.21 0.00 -1.26 -0.41 105.19 110.61 3kdp n GLY 203 Ca -0.12 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kdp n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp s LYS 205 N 1.10 2.61 -0.28 0.00 1.02 0.18 0.18 119.74 124.55 3kdp s LYS 205 Ca -0.05 -1.37 -0.15 0.00 0.02 0.00 0.00 55.97 54.42 3kdp s LYS 205 Cb -0.20 -2.38 0.09 0.00 -0.52 0.00 0.00 37.83 34.83 3kdp s LYS 205 CO -0.05 0.11 0.67 0.54 -0.92 0.00 0.00 175.35 175.71 3kdp s VAL 206 N -2.34 -0.21 -0.77 3.17 0.11 0.10 -2.64 120.40 117.82 3kdp s VAL 206 Ca 0.39 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 3kdp s VAL 206 Cb -0.05 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3kdp s VAL 206 CO 0.25 0.00 1.75 -0.62 -3.33 0.00 0.00 175.10 173.15 3kdp s ASP 207 N 1.90 5.51 -0.07 3.54 3.68 0.19 -2.08 116.67 129.34 3kdp s ASP 207 Ca -0.09 -0.31 0.06 0.00 2.13 0.00 0.00 52.55 54.34 3kdp s ASP 207 Cb -0.07 -2.55 0.29 0.00 -1.45 0.00 0.00 42.92 39.14 3kdp s ASP 207 CO -0.20 -2.31 1.00 0.59 0.13 0.00 0.00 175.17 174.39 3kdp n ASN 208 N 12.17 2.49 -0.11 -0.34 4.13 -1.26 -3.90 115.26 128.44 3kdp n ASN 208 Ca 0.25 -2.28 -0.09 0.00 1.68 0.00 0.00 54.58 54.14 3kdp n ASN 208 Cb 0.50 -0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 38.21 3kdp n ASN 208 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3kdp h SER 209 N 1.48 -1.31 0.00 6.41 4.64 -1.82 -0.98 113.55 121.97 3kdp h SER 209 Ca 0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kdp h SER 209 Cb 0.91 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3kdp h SER 209 CO 0.15 -0.36 0.00 -1.20 -0.87 0.00 0.00 176.83 174.55 3kdp n SER 210 N -5.42 0.00 0.11 4.97 7.64 -1.26 0.93 113.62 120.59 3kdp n SER 210 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kdp n SER 210 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3kdp n SER 210 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kdp n LEU 211 N -0.24 -0.55 0.11 -3.43 0.00 -0.45 -4.18 117.00 108.27 3kdp n LEU 211 Ca 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 56.01 56.17 3kdp n LEU 211 Cb 0.00 0.68 -0.15 0.00 0.00 0.00 0.00 43.42 43.94 3kdp n LEU 211 CO 0.00 -0.60 -0.24 0.71 0.00 0.00 0.00 177.39 177.26 3kdp h THR 212 N 0.00 1.26 0.00 1.96 1.35 -1.06 -3.44 112.91 112.98 3kdp h THR 212 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 3kdp h THR 212 Cb 0.00 3.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3kdp h THR 212 CO 0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 3kdp n GLY 213 N 1.73 2.99 3.85 5.82 0.00 0.26 -4.01 105.19 115.84 3kdp n GLY 213 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 3kdp n GLY 213 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdp s GLU 214 N -0.73 3.07 -0.01 1.61 0.41 -1.26 -4.90 118.70 116.89 3kdp s GLU 214 Ca 0.00 -0.86 0.11 0.00 -0.41 0.00 0.00 54.97 53.81 3kdp s GLU 214 Cb 0.00 -2.71 0.31 0.00 -1.78 0.00 0.00 34.13 29.95 3kdp s GLU 214 CO 0.00 0.46 1.26 0.43 -0.49 0.00 0.00 175.26 176.92 3kdp n SER 215 N -0.74 2.96 -4.74 -0.19 7.64 -1.26 -2.63 113.62 114.65 3kdp n SER 215 Ca -0.08 -2.04 -0.41 0.00 1.01 0.00 0.00 58.87 57.36 3kdp n SER 215 Cb 0.56 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 3kdp n SER 215 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3kdp s GLU 216 N -1.07 4.72 0.37 1.43 -1.05 -1.26 -4.83 118.70 117.00 3kdp s GLU 216 Ca 0.24 1.53 -0.27 0.00 -0.15 0.00 0.00 54.97 56.32 3kdp s GLU 216 Cb 0.13 -3.32 -0.09 0.00 -0.44 0.00 0.00 34.13 30.40 3kdp s GLU 216 CO 0.15 0.27 1.25 -2.14 0.95 0.00 0.00 175.26 175.74 3kdp s PRO 217 N -0.47 4.19 0.29 -4.83 0.02 -1.26 -4.51 135.00 128.43 3kdp s PRO 217 Ca 0.46 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.61 3kdp s PRO 217 Cb -0.26 -2.89 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 3kdp s PRO 217 CO 0.32 -0.27 0.19 -0.65 -0.33 0.00 0.00 177.00 176.26 3kdp s GLN 218 N -2.02 2.69 -0.03 5.54 -1.52 -0.88 -4.77 119.66 118.67 3kdp s GLN 218 Ca 0.53 -1.25 -0.09 0.00 -1.95 0.00 0.00 55.36 52.60 3kdp s GLN 218 Cb -0.36 -2.42 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 3kdp s GLN 218 CO 0.47 0.25 0.27 0.99 -0.25 0.00 0.00 175.29 177.02 3kdp s THR 219 N -2.26 5.29 -0.16 -0.19 2.01 -1.26 0.00 115.64 119.08 3kdp s THR 219 Ca 0.36 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 3kdp s THR 219 Cb -0.06 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 3kdp s THR 219 CO 0.24 0.49 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.43 3kdp s ARG 220 N -1.37 3.37 0.19 4.92 1.81 0.47 -4.67 118.95 123.67 3kdp s ARG 220 Ca 0.23 -0.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 3kdp s ARG 220 Cb -0.14 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.59 3kdp s ARG 220 CO 0.12 0.09 0.08 -1.54 -0.68 0.00 0.00 175.30 173.36 3kdp s SER 221 N 0.68 0.67 0.00 0.23 1.04 -0.28 -4.19 113.70 111.85 3kdp s SER 221 Ca -0.06 -1.30 0.24 0.00 0.48 0.00 0.00 55.95 55.32 3kdp s SER 221 Cb -0.15 0.25 1.43 0.00 0.10 0.00 0.00 66.02 67.64 3kdp s SER 221 CO 0.02 -0.73 1.85 -2.65 0.98 0.00 0.00 173.24 172.71 3kdp n PRO 222 N -0.27 0.88 -1.53 4.02 -0.02 -1.26 -3.16 135.00 133.66 3kdp n PRO 222 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 3kdp n PRO 222 Cb 0.65 -1.42 -0.09 0.00 -0.02 0.00 0.00 33.50 32.61 3kdp n PRO 222 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kdp n ASP 223 N -0.92 1.22 -4.66 2.55 8.00 -1.26 -4.80 116.55 116.68 3kdp n ASP 223 Ca 0.18 -0.57 -0.46 0.00 0.71 0.00 0.00 54.79 54.65 3kdp n ASP 223 Cb 0.08 -1.31 -0.04 0.00 -0.02 0.00 0.00 41.12 39.84 3kdp n ASP 223 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kdp n PHE 224 N 13.92 2.10 0.00 1.24 7.35 -1.26 -3.93 117.46 136.88 3kdp n PHE 224 Ca 0.50 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.59 3kdp n PHE 224 Cb 0.34 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.70 3kdp n PHE 224 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kdp n THR 225 N 2.56 0.00 -3.83 -2.13 -2.24 -1.26 -4.96 114.28 102.42 3kdp n THR 225 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 3kdp n THR 225 Cb 0.29 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 3kdp n THR 225 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kdp s ASN 226 N -1.15 -0.11 0.14 3.42 3.04 -1.26 -5.01 114.94 114.01 3kdp s ASN 226 Ca 0.00 0.11 -0.29 0.00 0.04 0.00 0.00 52.86 52.71 3kdp s ASN 226 Cb 0.00 0.31 -0.05 0.00 -1.54 0.00 0.00 41.25 39.98 3kdp s ASN 226 CO 0.00 -0.24 1.57 -0.08 -3.04 0.00 0.00 177.10 175.31 3kdp h GLU 227 N 4.94 -0.40 -6.41 0.43 4.22 -1.99 -3.42 114.58 111.96 3kdp h GLU 227 Ca -0.28 0.03 -0.57 0.00 0.08 0.00 0.00 59.36 58.61 3kdp h GLU 227 Cb 1.19 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 3kdp h GLU 227 CO 0.39 -0.26 0.85 1.21 -2.18 0.00 0.00 179.01 179.02 3kdp s ASN 228 N -4.99 6.83 0.21 1.04 3.84 -1.26 -4.90 114.94 115.71 3kdp s ASN 228 Ca -0.15 0.85 0.11 0.00 0.21 0.00 0.00 52.86 53.88 3kdp s ASN 228 Cb 0.10 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.87 3kdp s ASN 228 CO 0.64 -0.99 1.27 -2.65 -2.79 0.00 0.00 177.10 172.58 3kdp n PRO 229 N 7.14 0.07 0.04 0.43 -0.02 -1.26 0.32 135.00 141.73 3kdp n PRO 229 Ca 0.12 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3kdp n PRO 229 Cb 0.48 -1.89 0.38 0.00 -0.02 0.00 0.00 33.50 32.45 3kdp n PRO 229 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kdp n LEU 230 N -1.89 0.49 -0.01 2.45 4.77 -1.26 -4.24 117.00 117.31 3kdp n LEU 230 Ca -0.01 0.36 0.01 0.00 -0.03 0.00 0.00 56.01 56.34 3kdp n LEU 230 Cb 0.17 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 3kdp n LEU 230 CO 0.05 -0.04 -0.62 -0.62 -1.33 0.00 0.00 177.39 174.83 3kdp n GLU 231 N -1.86 1.33 -1.82 3.23 -0.58 0.15 -5.01 120.64 116.09 3kdp n GLU 231 Ca 0.05 -0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.39 3kdp n GLU 231 Cb 0.39 -1.14 0.05 0.00 -0.57 0.00 0.00 31.44 30.17 3kdp n GLU 231 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3kdp s THR 232 N -2.31 2.18 -1.64 2.62 -1.32 -1.13 -4.88 115.64 109.16 3kdp s THR 232 Ca -0.02 0.12 0.14 0.00 -1.21 0.00 0.00 61.69 60.72 3kdp s THR 232 Cb 0.03 -3.05 0.47 0.00 -1.51 0.00 0.00 72.50 68.44 3kdp s THR 232 CO 0.24 -0.02 1.37 0.54 -2.21 0.00 0.00 174.62 174.54 3kdp n ARG 233 N -1.64 2.52 -0.13 7.08 1.74 -1.25 -3.97 116.66 121.01 3kdp n ARG 233 Ca 0.14 -1.90 0.06 0.00 -0.77 0.00 0.00 57.85 55.38 3kdp n ARG 233 Cb 0.48 -1.54 0.13 0.00 -1.02 0.00 0.00 32.46 30.51 3kdp n ARG 233 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3kdp n ASN 234 N 0.85 2.69 -4.33 0.55 6.94 -1.19 -1.13 115.26 119.65 3kdp n ASN 234 Ca 0.17 -1.84 -0.33 0.00 -0.02 0.00 0.00 54.58 52.56 3kdp n ASN 234 Cb 0.54 -0.17 -0.14 0.00 -2.36 0.00 0.00 39.78 37.64 3kdp n ASN 234 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3kdp s ILE 235 N -1.00 3.03 0.16 1.53 -1.09 -1.25 0.29 121.20 122.87 3kdp s ILE 235 Ca 0.22 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.03 3kdp s ILE 235 Cb 0.12 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 3kdp s ILE 235 CO 0.17 0.50 0.21 0.00 -1.23 0.00 0.00 174.94 174.59 3kdp s ALA 236 N 0.74 3.77 -0.03 9.38 0.00 0.98 -4.97 121.76 131.63 3kdp s ALA 236 Ca -0.05 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.85 3kdp s ALA 236 Cb -0.15 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 3kdp s ALA 236 CO 0.01 0.51 -0.24 -0.06 0.00 0.00 0.00 175.76 175.99 3kdp s PHE 237 N -1.76 2.19 0.26 0.00 0.08 -1.26 -1.97 117.98 115.52 3kdp s PHE 237 Ca 0.33 -0.49 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 3kdp s PHE 237 Cb -0.10 -1.42 -0.12 0.00 -0.57 0.00 0.00 43.02 40.80 3kdp s PHE 237 CO 0.26 -0.09 1.56 0.34 -0.10 0.00 0.00 175.22 177.19 3kdp n PHE 238 N 2.64 2.60 0.00 0.36 -0.00 -1.19 -2.25 117.46 119.63 3kdp n PHE 238 Ca -0.16 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 3kdp n PHE 238 Cb 0.52 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.43 3kdp n PHE 238 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3kdp n SER 239 N 2.49 0.00 -4.61 -2.13 3.41 -1.24 -4.59 113.62 106.95 3kdp n SER 239 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 3kdp n SER 239 Cb 0.34 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.49 3kdp n SER 239 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kdp s THR 240 N -0.75 2.14 0.08 6.66 -4.23 -0.95 -4.70 115.64 113.89 3kdp s THR 240 Ca 0.00 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.62 3kdp s THR 240 Cb 0.00 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 3kdp s THR 240 CO 0.00 -0.06 -0.16 0.54 -0.54 0.00 0.00 174.62 174.40 3kdp s ASN 241 N -3.03 1.93 -0.66 3.99 6.03 -1.25 -0.61 114.94 121.33 3kdp s ASN 241 Ca 0.66 -0.62 -0.24 0.00 -1.03 0.00 0.00 52.86 51.64 3kdp s ASN 241 Cb -0.21 -0.08 0.06 0.00 -3.03 0.00 0.00 41.25 37.98 3kdp s ASN 241 CO 0.60 -0.02 1.03 0.00 -2.03 0.00 0.00 177.10 176.68 3kdp h VAL 243 N 6.00 1.20 -1.89 0.00 2.07 -1.81 4.15 116.25 125.96 3kdp h VAL 243 Ca -0.28 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3kdp h VAL 243 Cb 1.07 1.33 -0.21 0.00 -1.52 0.00 0.00 31.29 31.95 3kdp h VAL 243 CO 1.19 0.27 0.25 -1.83 0.02 0.00 0.00 177.57 177.47 3kdp s GLU 244 N -4.59 0.84 0.00 1.57 -1.05 -1.21 -4.21 118.70 110.04 3kdp s GLU 244 Ca -0.05 0.60 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 3kdp s GLU 244 Cb 0.15 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 3kdp s GLU 244 CO 0.73 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 177.17 3kdp n GLY 245 N 1.81 0.29 3.52 -3.83 0.00 -1.21 -0.65 105.19 105.12 3kdp n GLY 245 Ca -0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 3kdp n GLY 245 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kdp s THR 246 N 0.00 0.00 0.22 2.61 -1.32 0.45 -2.85 115.64 114.75 3kdp s THR 246 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 3kdp s THR 246 Cb 0.00 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3kdp s THR 246 CO 0.00 0.00 0.42 0.00 -2.21 0.00 0.00 174.62 172.83 3kdp s ALA 247 N -2.55 -0.15 0.10 11.08 0.00 -0.15 0.21 121.76 130.30 3kdp s ALA 247 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3kdp s ALA 247 Cb -0.01 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 3kdp s ALA 247 CO -0.05 -0.79 -0.13 1.03 0.00 0.00 0.00 175.76 175.82 3kdp s ARG 248 N -4.01 0.90 0.11 0.00 0.52 -1.09 -2.65 118.95 112.73 3kdp s ARG 248 Ca 0.22 -1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 54.17 3kdp s ARG 248 Cb 0.01 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.74 3kdp s ARG 248 CO 0.07 0.14 0.32 0.20 0.02 0.00 0.00 175.30 176.05 3kdp s GLY 249 N -2.24 -0.13 -0.14 -3.53 0.00 -0.31 -1.32 107.32 99.66 3kdp s GLY 249 Ca 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 3kdp s GLY 249 CO 0.02 -0.49 0.05 -0.42 0.00 0.00 0.00 173.10 172.26 3kdp s ILE 250 N -3.75 4.67 -0.33 0.90 -1.09 0.42 -1.31 121.20 120.70 3kdp s ILE 250 Ca 0.03 -0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 3kdp s ILE 250 Cb 0.03 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.88 3kdp s ILE 250 CO -0.11 0.53 1.14 0.68 -1.23 0.00 0.00 174.94 175.95 3kdp s VAL 251 N -0.22 4.38 -0.14 2.92 -7.23 -0.96 -0.65 120.40 118.50 3kdp s VAL 251 Ca 0.07 1.57 0.22 0.00 -1.81 0.00 0.00 61.98 62.03 3kdp s VAL 251 Cb -0.12 -4.38 -0.24 0.00 0.56 0.00 0.00 36.38 32.20 3kdp s VAL 251 CO 0.02 -0.54 0.66 1.33 -0.31 0.00 0.00 175.10 176.26 3kdp n VAL 252 N 6.06 0.17 -3.85 1.32 0.24 0.14 -2.96 118.33 119.45 3kdp n VAL 252 Ca 0.13 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3kdp n VAL 252 Cb 0.47 -0.04 -0.14 0.00 -1.47 0.00 0.00 33.84 32.66 3kdp n VAL 252 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3kdp s TYR 253 N -3.45 -0.05 -0.32 6.34 2.02 -1.20 -4.98 117.35 115.71 3kdp s TYR 253 Ca -0.05 0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3kdp s TYR 253 Cb 0.13 0.01 0.09 0.00 -0.40 0.00 0.00 41.96 41.79 3kdp s TYR 253 CO 0.87 -0.03 0.05 -0.08 -1.57 0.00 0.00 175.55 174.79 3kdp s THR 254 N 0.06 1.84 0.00 -0.71 -1.32 -1.26 -0.94 115.64 113.31 3kdp s THR 254 Ca -0.00 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 3kdp s THR 254 Cb -0.01 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 3kdp s THR 254 CO -0.00 -0.55 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 3kdp n GLY 255 N 4.45 2.96 0.59 6.08 0.00 -1.26 -3.06 105.19 114.95 3kdp n GLY 255 Ca 0.00 -0.22 0.47 0.00 0.00 0.00 0.00 46.02 46.27 3kdp n GLY 255 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3kdp h ASP 256 N 0.00 0.10 0.69 1.61 1.82 -1.89 -0.32 116.42 118.44 3kdp h ASP 256 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 3kdp h ASP 256 Cb 0.00 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.09 3kdp h ASP 256 CO 0.00 -0.13 -0.50 0.54 -1.61 0.00 0.00 179.24 177.54 3kdp n ARG 257 N -4.34 0.12 0.00 0.28 1.74 -1.17 -3.47 116.66 109.80 3kdp n ARG 257 Ca 0.42 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 3kdp n ARG 257 Cb 1.78 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 3kdp n ARG 257 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kdp n THR 258 N -1.74 0.00 -0.02 0.55 -2.24 -0.13 -4.75 114.28 105.95 3kdp n THR 258 Ca 0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 3kdp n THR 258 Cb 0.38 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 3kdp n THR 258 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kdp n VAL 259 N 0.00 0.21 -0.03 2.28 0.31 -1.26 -4.07 118.33 115.77 3kdp n VAL 259 Ca 0.00 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.12 3kdp n VAL 259 Cb 0.00 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.74 3kdp n VAL 259 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3kdp h MET 260 N -0.07 0.27 -0.97 5.55 2.86 -1.92 -3.21 114.93 117.43 3kdp h MET 260 Ca -0.09 -0.20 0.16 0.00 -2.06 0.00 0.00 59.70 57.50 3kdp h MET 260 Cb 1.11 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.71 3kdp h MET 260 CO -0.04 0.84 0.58 0.78 1.06 0.00 0.00 176.91 180.14 3kdp h GLY 261 N -0.25 1.66 1.21 8.32 0.00 -1.85 0.52 103.07 112.68 3kdp h GLY 261 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kdp h GLY 261 CO 0.05 0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.14 3kdp n ARG 262 N -4.74 0.23 -0.07 4.80 1.74 -1.22 -1.71 116.66 115.69 3kdp n ARG 262 Ca 0.21 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.25 3kdp n ARG 262 Cb 0.47 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 3kdp n ARG 262 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kdp n ILE 263 N -1.10 1.35 -0.31 0.55 2.08 0.17 -3.32 119.36 118.78 3kdp n ILE 263 Ca 0.06 0.06 0.26 0.00 0.56 0.00 0.00 62.75 63.69 3kdp n ILE 263 Cb 0.05 -2.05 0.48 0.00 -0.75 0.00 0.00 39.64 37.36 3kdp n ILE 263 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kdp n ALA 264 N -4.14 0.84 -1.00 -1.39 0.00 -0.51 0.71 120.51 115.01 3kdp n ALA 264 Ca -0.19 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.24 3kdp n ALA 264 Cb 0.51 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3kdp n ALA 264 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kdp n THR 265 N -5.24 0.00 -0.37 0.00 -1.04 -0.70 -1.62 114.28 105.32 3kdp n THR 265 Ca 0.32 0.44 0.28 0.00 -2.04 0.00 0.00 64.05 63.05 3kdp n THR 265 Cb 1.09 -1.24 0.44 0.00 -1.82 0.00 0.00 70.33 68.80 3kdp n THR 265 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kdp n LEU 266 N 0.00 0.03 0.00 -4.42 0.00 0.15 -1.86 117.00 110.90 3kdp n LEU 266 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 56.01 56.62 3kdp n LEU 266 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.12 3kdp n LEU 266 CO 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 177.39 176.76 3kdp n ALA 267 N -2.53 0.00 -0.06 1.96 0.00 0.22 -4.06 120.51 116.04 3kdp n ALA 267 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kdp n ALA 267 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.53 3kdp n ALA 267 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kdp n SER 268 N -2.01 0.00 -0.64 0.00 2.88 -0.64 -0.69 113.62 112.52 3kdp n SER 268 Ca 0.00 -1.67 -0.03 0.00 -1.33 0.00 0.00 58.87 55.85 3kdp n SER 268 Cb 0.00 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 3kdp n SER 268 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdp n GLY 269 N 3.57 0.02 2.91 0.46 0.00 -1.20 -4.77 105.19 106.18 3kdp n GLY 269 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kdp n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdp s LEU 270 N 0.00 1.80 -0.13 0.99 1.43 0.13 -4.97 118.68 117.93 3kdp s LEU 270 Ca 0.00 -0.75 -0.34 0.00 -1.03 0.00 0.00 54.13 52.00 3kdp s LEU 270 Cb 0.00 -0.98 -0.12 0.00 0.03 0.00 0.00 46.19 45.12 3kdp s LEU 270 CO 0.00 -0.19 1.92 -1.84 0.23 0.00 0.00 176.35 176.47 3kdp n GLU 271 N 4.83 2.01 -0.02 1.70 0.00 -1.26 -4.87 120.64 123.02 3kdp n GLU 271 Ca -0.12 0.72 -0.09 0.00 0.00 0.00 0.00 57.16 57.67 3kdp n GLU 271 Cb 0.47 -2.63 -0.02 0.00 0.00 0.00 0.00 31.44 29.26 3kdp n GLU 271 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3kdp h GLY 272 N 9.68 -0.02 -0.38 -1.84 0.00 -1.98 -3.49 103.07 105.04 3kdp h GLY 272 Ca -0.46 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.09 3kdp h GLY 272 CO 0.96 -0.15 -0.09 0.61 0.00 0.00 0.00 176.54 177.87 3kdp n GLY 273 N -1.29 -1.84 3.64 4.60 0.00 -1.26 -4.84 105.19 104.20 3kdp n GLY 273 Ca -0.02 -1.47 -0.52 0.00 0.00 0.00 0.00 46.02 44.02 3kdp n GLY 273 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kdp n GLN 274 N -2.35 1.45 0.00 1.61 6.02 -1.26 -4.97 117.38 117.89 3kdp n GLN 274 Ca -0.00 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 3kdp n GLN 274 Cb 0.08 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.11 3kdp n GLN 274 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kdp n THR 275 N 3.46 0.00 -0.02 5.09 -2.24 -1.26 -4.99 114.28 114.32 3kdp n THR 275 Ca 0.20 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 3kdp n THR 275 Cb 0.21 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 67.79 3kdp n THR 275 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3kdp n PRO 276 N -0.57 0.81 -0.06 -0.78 -0.05 -1.26 -4.48 135.00 128.62 3kdp n PRO 276 Ca 0.00 -0.09 -0.02 0.00 -0.05 0.00 0.00 63.50 63.34 3kdp n PRO 276 Cb 0.00 -1.30 -0.02 0.00 -0.05 0.00 0.00 33.50 32.14 3kdp n PRO 276 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 175.50 176.42 3kdp h ILE 277 N 0.00 0.21 0.00 0.52 2.10 -1.94 -3.32 117.51 115.07 3kdp h ILE 277 Ca -0.08 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.70 3kdp h ILE 277 Cb 0.86 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 3kdp h ILE 277 CO 0.00 0.07 0.32 0.00 -1.08 0.00 0.00 178.15 177.46 3kdp h ALA 278 N -0.88 1.21 -0.35 0.18 0.00 -1.90 5.34 119.26 122.86 3kdp h ALA 278 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kdp h ALA 278 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kdp h ALA 278 CO -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3kdp n ALA 279 N -1.56 3.20 -0.02 0.00 0.00 -1.25 -1.53 120.51 119.35 3kdp n ALA 279 Ca -0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 53.44 52.33 3kdp n ALA 279 Cb 0.34 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3kdp n ALA 279 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kdp n GLU 280 N 0.42 1.56 0.15 0.00 -0.58 1.74 -4.52 120.64 119.41 3kdp n GLU 280 Ca 0.16 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 3kdp n GLU 280 Cb 0.75 -1.08 -0.06 0.00 -0.57 0.00 0.00 31.44 30.48 3kdp n GLU 280 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3kdp h ILE 281 N 0.00 0.57 0.00 -3.67 1.08 -1.53 -0.48 117.51 113.48 3kdp h ILE 281 Ca -0.08 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.10 3kdp h ILE 281 Cb 1.15 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 3kdp h ILE 281 CO -0.01 0.00 1.21 -0.62 -0.69 0.00 0.00 178.15 178.04 3kdp n GLU 282 N -5.32 2.00 0.00 2.37 1.02 -0.58 -1.55 120.64 118.57 3kdp n GLU 282 Ca -0.08 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 3kdp n GLU 282 Cb 0.24 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 3kdp n GLU 282 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3kdp n HIS 283 N 3.18 -1.74 -0.12 -0.32 -0.00 -0.92 -4.83 115.22 110.47 3kdp n HIS 283 Ca 0.43 0.00 0.27 0.00 0.46 0.00 0.00 57.72 58.88 3kdp n HIS 283 Cb 0.47 0.42 0.71 0.00 -0.12 0.00 0.00 29.99 31.46 3kdp n HIS 283 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3kdp h PHE 284 N 0.00 0.00 0.13 1.57 -5.15 -1.11 1.24 116.94 113.63 3kdp h PHE 284 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3kdp h PHE 284 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3kdp h PHE 284 CO 0.00 0.00 -0.06 0.82 -2.00 0.00 0.00 178.31 177.07 3kdp h ILE 285 N 0.00 0.91 0.44 0.88 2.04 -1.50 0.17 117.51 120.45 3kdp h ILE 285 Ca 0.39 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 3kdp h ILE 285 Cb 1.73 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3kdp h ILE 285 CO -0.00 0.04 -0.31 0.45 0.00 0.00 0.00 178.15 178.33 3kdp h HIS 286 N -0.25 -0.83 -0.58 1.37 3.86 0.12 0.37 115.15 119.21 3kdp h HIS 286 Ca -0.02 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3kdp h HIS 286 Cb 0.20 0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.90 3kdp h HIS 286 CO -0.05 -0.44 -0.34 -0.89 0.86 0.00 0.00 177.93 177.07 3kdp n ILE 287 N -4.26 -0.39 0.04 2.45 2.08 0.16 -0.45 119.36 119.00 3kdp n ILE 287 Ca -0.09 1.46 -0.02 0.00 0.56 0.00 0.00 62.75 64.66 3kdp n ILE 287 Cb 0.30 -1.81 -0.01 0.00 -0.75 0.00 0.00 39.64 37.38 3kdp n ILE 287 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3kdp h ILE 288 N 0.00 0.00 0.00 1.39 2.04 -0.26 -2.04 117.51 118.63 3kdp h ILE 288 Ca 0.09 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3kdp h ILE 288 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3kdp h ILE 288 CO -0.54 0.00 0.64 0.41 0.00 0.00 0.00 178.15 178.66 3kdp n THR 289 N -2.56 0.00 0.00 -0.27 -1.04 0.13 -1.13 114.28 109.41 3kdp n THR 289 Ca -0.02 0.64 0.00 0.00 -2.04 0.00 0.00 64.05 62.64 3kdp n THR 289 Cb 0.05 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 3kdp n THR 289 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kdp n GLY 290 N -1.13 -1.86 0.33 3.41 0.00 0.41 -3.25 105.19 103.10 3kdp n GLY 290 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3kdp n GLY 290 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kdp h VAL 291 N 0.00 0.07 -0.73 1.61 -1.51 -1.13 0.16 116.25 114.73 3kdp h VAL 291 Ca 0.00 -0.01 0.27 0.00 -1.23 0.00 0.00 66.70 65.73 3kdp h VAL 291 Cb 0.00 0.03 -0.13 0.00 -2.13 0.00 0.00 31.29 29.06 3kdp h VAL 291 CO 0.00 0.01 0.28 0.00 -1.23 0.00 0.00 177.57 176.62 3kdp n ALA 292 N -2.96 0.63 -0.05 5.19 0.00 -0.85 0.12 120.51 122.59 3kdp n ALA 292 Ca 0.24 0.75 -0.02 0.00 0.00 0.00 0.00 53.44 54.42 3kdp n ALA 292 Cb 0.80 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 19.42 3kdp n ALA 292 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kdp n VAL 293 N -4.75 0.94 -0.34 0.00 0.24 0.01 -3.02 118.33 111.40 3kdp n VAL 293 Ca 0.24 -0.72 -0.03 0.00 -2.04 0.00 0.00 64.34 61.79 3kdp n VAL 293 Cb 0.82 -0.39 0.09 0.00 -1.47 0.00 0.00 33.84 32.90 3kdp n VAL 293 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3kdp h PHE 294 N 0.00 1.21 0.00 6.34 3.57 0.05 -1.34 116.94 126.77 3kdp h PHE 294 Ca -0.31 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 3kdp h PHE 294 Cb 1.74 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3kdp h PHE 294 CO 0.00 0.80 0.00 1.28 -2.23 0.00 0.00 178.31 178.16 3kdp n LEU 295 N -4.38 1.02 0.00 0.59 4.77 0.37 -2.83 117.00 116.54 3kdp n LEU 295 Ca 0.10 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3kdp n LEU 295 Cb 0.06 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kdp n LEU 295 CO 0.38 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3kdp n GLY 296 N 0.61 0.00 0.24 -0.72 0.00 -1.17 0.13 105.19 104.28 3kdp n GLY 296 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3kdp n GLY 296 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kdp h VAL 297 N 0.00 1.25 -0.66 1.61 -1.51 -1.43 -2.21 116.25 113.29 3kdp h VAL 297 Ca 0.00 -0.90 0.05 0.00 -1.23 0.00 0.00 66.70 64.62 3kdp h VAL 297 Cb 0.00 0.91 -0.05 0.00 -2.13 0.00 0.00 31.29 30.02 3kdp h VAL 297 CO 0.00 0.32 0.38 -1.28 -1.23 0.00 0.00 177.57 175.76 3kdp h SER 298 N 0.65 0.60 -0.84 4.19 0.87 -0.15 -1.35 113.55 117.53 3kdp h SER 298 Ca 0.15 0.02 -0.54 0.00 -1.23 0.00 0.00 61.79 60.19 3kdp h SER 298 Cb 0.37 -0.10 -0.25 0.00 -0.44 0.00 0.00 62.40 61.99 3kdp h SER 298 CO 0.01 0.40 0.69 0.49 -0.53 0.00 0.00 176.83 177.89 3kdp n PHE 299 N -4.75 2.68 -2.12 2.24 3.01 0.32 -2.12 117.46 116.71 3kdp n PHE 299 Ca 0.08 -2.46 -0.03 0.00 1.01 0.00 0.00 57.45 56.04 3kdp n PHE 299 Cb 0.14 -1.20 -0.04 0.00 -0.01 0.00 0.00 39.48 38.37 3kdp n PHE 299 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3kdp n PHE 300 N -0.60 0.00 0.00 1.38 7.35 -0.57 -4.24 117.46 120.78 3kdp n PHE 300 Ca 0.52 -0.42 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 3kdp n PHE 300 Cb 0.82 0.29 0.00 0.00 0.35 0.00 0.00 39.48 40.94 3kdp n PHE 300 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 3kdp n ILE 301 N 0.12 0.00 -0.26 -2.13 -6.64 -0.82 -4.43 119.36 105.20 3kdp n ILE 301 Ca -0.15 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 60.80 3kdp n ILE 301 Cb 0.78 -0.23 0.14 0.00 -1.44 0.00 0.00 39.64 38.90 3kdp n ILE 301 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 3kdp h LEU 302 N 0.00 1.00 0.51 7.28 6.46 -1.67 0.46 115.31 129.35 3kdp h LEU 302 Ca 0.00 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 3kdp h LEU 302 Cb 0.39 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3kdp h LEU 302 CO 0.00 0.83 -0.24 -1.28 -0.62 0.00 0.00 178.44 177.12 3kdp h SER 303 N 1.10 -0.58 0.24 1.25 0.87 -1.79 -2.78 113.55 111.86 3kdp h SER 303 Ca 0.27 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3kdp h SER 303 Cb 0.08 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3kdp h SER 303 CO -0.04 -0.21 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.92 3kdp h LEU 304 N -1.01 0.00 -1.38 2.23 3.38 -1.77 -2.49 115.31 114.27 3kdp h LEU 304 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kdp h LEU 304 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kdp h LEU 304 CO 0.11 0.06 0.00 0.40 0.09 0.00 0.00 178.44 179.11 3kdp h ILE 305 N 0.00 0.00 -0.71 1.22 1.08 -0.62 0.46 117.51 118.93 3kdp h ILE 305 Ca -0.00 -0.42 -0.45 0.00 -0.39 0.00 0.00 64.86 63.60 3kdp h ILE 305 Cb 0.20 1.35 -0.21 0.00 -3.07 0.00 0.00 36.82 35.09 3kdp h ILE 305 CO 0.01 0.00 0.58 0.18 -0.69 0.00 0.00 178.15 178.23 3kdp n LEU 306 N -2.89 6.64 -3.21 1.44 4.77 -0.94 -4.91 117.00 117.89 3kdp n LEU 306 Ca 0.01 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 3kdp n LEU 306 Cb 0.27 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3kdp n LEU 306 CO 0.25 1.21 0.00 -0.62 -1.33 0.00 0.00 177.39 176.90 3kdp n GLU 307 N -0.36 -0.98 0.00 3.23 4.71 0.15 -4.87 120.64 122.52 3kdp n GLU 307 Ca 0.44 -0.38 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 3kdp n GLU 307 Cb 0.83 0.69 0.00 0.00 -1.01 0.00 0.00 31.44 31.94 3kdp n GLU 307 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3kdp n TYR 308 N -0.88 -1.47 -3.66 -0.32 4.01 -1.25 -5.05 117.16 108.54 3kdp n TYR 308 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 3kdp n TYR 308 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 3kdp n TYR 308 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kdp s THR 309 N -0.45 4.17 0.02 -0.72 2.01 -1.26 -4.97 115.64 114.44 3kdp s THR 309 Ca 0.00 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.72 3kdp s THR 309 Cb 0.00 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 3kdp s THR 309 CO 0.00 -0.20 1.11 -0.50 -0.69 0.00 0.00 174.62 174.34 3kdp h TRP 310 N 1.05 -0.60 -1.18 4.92 -0.00 -1.98 0.61 115.95 118.76 3kdp h TRP 310 Ca -0.47 -0.01 0.37 0.00 -0.00 0.00 0.00 58.89 58.78 3kdp h TRP 310 Cb 1.25 0.20 -0.13 0.00 -0.00 0.00 0.00 29.16 30.48 3kdp h TRP 310 CO 0.46 -0.38 0.75 1.37 -0.00 0.00 0.00 178.44 180.64 3kdp h LEU 311 N -0.74 0.34 0.00 -4.49 -0.00 -1.97 0.80 115.31 109.25 3kdp h LEU 311 Ca -0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 3kdp h LEU 311 Cb 0.50 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 3kdp h LEU 311 CO 0.11 -0.12 -0.33 -0.33 -0.00 0.00 0.00 178.44 177.77 3kdp h GLU 312 N 0.19 0.00 0.00 0.17 5.08 -1.91 -2.45 114.58 115.66 3kdp h GLU 312 Ca 0.75 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.01 3kdp h GLU 312 Cb 2.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 3kdp h GLU 312 CO -0.43 0.00 -0.72 0.00 -1.00 0.00 0.00 179.01 176.86 3kdp h ALA 313 N 2.36 0.11 -0.48 3.43 0.00 0.63 -3.28 119.26 122.04 3kdp h ALA 313 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 3kdp h ALA 313 Cb 0.82 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3kdp h ALA 313 CO 0.00 0.48 0.26 -0.39 0.00 0.00 0.00 179.25 179.60 3kdp h VAL 314 N -1.00 1.17 -0.30 0.00 -1.51 -1.17 -0.01 116.25 113.44 3kdp h VAL 314 Ca -0.15 -0.45 0.09 0.00 -1.23 0.00 0.00 66.70 64.95 3kdp h VAL 314 Cb 0.85 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 3kdp h VAL 314 CO -0.09 0.19 0.28 -0.29 -1.23 0.00 0.00 177.57 176.43 3kdp h ILE 315 N 0.64 0.53 0.02 7.19 2.10 -1.63 0.24 117.51 126.60 3kdp h ILE 315 Ca 0.17 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.88 3kdp h ILE 315 Cb 0.07 0.78 -0.03 0.00 -1.09 0.00 0.00 36.82 36.55 3kdp h ILE 315 CO -0.03 0.00 -1.10 0.15 -1.08 0.00 0.00 178.15 176.10 3kdp h PHE 316 N 0.00 0.06 -0.05 2.19 3.57 -1.17 -3.33 116.94 118.21 3kdp h PHE 316 Ca 0.14 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3kdp h PHE 316 Cb 0.70 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3kdp h PHE 316 CO 0.00 1.04 -0.23 1.25 -2.23 0.00 0.00 178.31 178.13 3kdp h LEU 317 N 0.01 0.29 0.00 0.59 7.12 0.11 -3.04 115.31 120.39 3kdp h LEU 317 Ca -0.05 -0.66 0.00 0.00 0.13 0.00 0.00 57.88 57.30 3kdp h LEU 317 Cb 1.82 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.86 3kdp h LEU 317 CO 0.13 0.90 0.08 -0.38 -0.13 0.00 0.00 178.44 179.05 3kdp n ILE 318 N -4.52 0.64 0.00 4.05 5.41 0.35 -0.63 119.36 124.66 3kdp n ILE 318 Ca -0.09 0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.91 3kdp n ILE 318 Cb 0.46 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 3kdp n ILE 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kdp n GLY 319 N -1.07 -0.48 0.24 7.39 0.00 -1.16 -3.86 105.19 106.25 3kdp n GLY 319 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3kdp n GLY 319 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kdp n ILE 320 N -2.31 -0.30 0.00 -0.61 2.08 -0.38 0.75 119.36 118.59 3kdp n ILE 320 Ca 0.00 1.51 0.00 0.00 0.56 0.00 0.00 62.75 64.82 3kdp n ILE 320 Cb 0.00 -2.28 0.00 0.00 -0.75 0.00 0.00 39.64 36.61 3kdp n ILE 320 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kdp n ILE 321 N -4.84 0.00 -0.14 1.39 -0.00 0.20 -3.09 119.36 112.88 3kdp n ILE 321 Ca 0.20 1.21 0.17 0.00 -0.00 0.00 0.00 62.75 64.33 3kdp n ILE 321 Cb 0.66 -2.13 0.55 0.00 -0.00 0.00 0.00 39.64 38.73 3kdp n ILE 321 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3kdp h VAL 322 N 0.00 0.76 0.00 1.39 2.07 0.23 0.42 116.25 121.12 3kdp h VAL 322 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kdp h VAL 322 Cb 0.00 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3kdp h VAL 322 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 3kdp n ALA 323 N -2.55 2.42 0.00 1.67 0.00 0.22 -3.50 120.51 118.77 3kdp n ALA 323 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3kdp n ALA 323 Cb 0.58 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3kdp n ALA 323 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kdp n ASN 324 N -0.51 3.41 -4.49 0.00 2.85 0.14 -3.93 115.26 112.74 3kdp n ASN 324 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 3kdp n ASN 324 Cb 0.00 0.42 -0.05 0.00 1.24 0.00 0.00 39.78 41.39 3kdp n ASN 324 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3kdp s VAL 325 N -1.61 4.65 -1.13 3.44 1.01 -0.92 -4.92 120.40 120.92 3kdp s VAL 325 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 3kdp s VAL 325 Cb 0.00 -4.40 -0.15 0.00 0.00 0.00 0.00 36.38 31.83 3kdp s VAL 325 CO 0.00 -0.92 2.00 -2.65 0.00 0.00 0.00 175.10 173.53 3kdp n PRO 326 N 6.76 0.99 0.05 2.72 -0.02 -1.26 -4.82 135.00 139.42 3kdp n PRO 326 Ca -0.02 -2.15 -0.14 0.00 -2.02 0.00 0.00 63.50 59.17 3kdp n PRO 326 Cb 0.47 -3.79 -0.07 0.00 -0.02 0.00 0.00 33.50 30.08 3kdp n PRO 326 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kdp h GLU 327 N 10.45 -0.55 -3.02 -0.52 3.07 -1.91 -3.02 114.58 119.06 3kdp h GLU 327 Ca 0.14 0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.75 3kdp h GLU 327 Cb 0.95 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 3kdp h GLU 327 CO 1.16 -0.37 1.64 0.41 -1.40 0.00 0.00 179.01 180.45 3kdp n GLY 328 N -1.45 2.79 2.01 -3.84 0.00 -1.23 -3.84 105.19 99.63 3kdp n GLY 328 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3kdp n GLY 328 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kdp n LEU 329 N 3.60 -0.35 -0.34 0.99 7.94 -1.14 -4.54 117.00 123.16 3kdp n LEU 329 Ca 0.38 0.34 0.20 0.00 -1.11 0.00 0.00 56.01 55.82 3kdp n LEU 329 Cb 0.29 0.48 0.44 0.00 0.53 0.00 0.00 43.42 45.16 3kdp n LEU 329 CO 0.50 -0.62 1.18 -0.07 -1.11 0.00 0.00 177.39 177.28 3kdp h LEU 330 N 0.00 0.58 0.00 -1.96 3.38 -1.75 1.85 115.31 117.41 3kdp h LEU 330 Ca 0.00 0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3kdp h LEU 330 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kdp h LEU 330 CO 0.00 0.09 -0.72 0.00 0.09 0.00 0.00 178.44 177.90 3kdp h ALA 331 N 1.69 0.61 -0.55 1.53 0.00 -1.83 -3.07 119.26 117.65 3kdp h ALA 331 Ca 0.63 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kdp h ALA 331 Cb 1.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3kdp h ALA 331 CO -0.41 0.79 0.03 1.15 0.00 0.00 0.00 179.25 180.82 3kdp h THR 332 N 0.00 1.26 0.41 0.00 2.02 0.20 -1.99 112.91 114.82 3kdp h THR 332 Ca -0.03 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 3kdp h THR 332 Cb 1.49 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3kdp h THR 332 CO 0.08 0.38 -0.20 0.58 0.37 0.00 0.00 175.52 176.73 3kdp h VAL 333 N 0.83 0.54 -0.60 3.16 2.07 0.15 -0.23 116.25 122.15 3kdp h VAL 333 Ca 0.16 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3kdp h VAL 333 Cb 0.49 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 3kdp h VAL 333 CO 0.02 0.07 -0.40 0.74 0.02 0.00 0.00 177.57 178.03 3kdp h THR 334 N -0.83 0.00 -0.21 2.57 2.02 -1.61 0.71 112.91 115.56 3kdp h THR 334 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 3kdp h THR 334 Cb 0.55 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3kdp h THR 334 CO 0.09 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.75 3kdp h VAL 335 N -0.06 0.62 -0.35 3.16 2.07 -1.26 0.44 116.25 120.88 3kdp h VAL 335 Ca 0.10 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 3kdp h VAL 335 Cb 0.31 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3kdp h VAL 335 CO -0.59 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 176.87 3kdp h LEU 337 N 0.50 -1.03 -0.92 0.00 4.07 0.16 -2.52 115.31 115.57 3kdp h LEU 337 Ca 0.08 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3kdp h LEU 337 Cb 0.65 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.65 3kdp h LEU 337 CO 0.04 -0.73 0.48 0.74 -1.08 0.00 0.00 178.44 177.89 3kdp h THR 338 N -1.23 0.00 0.00 0.22 2.02 -1.09 0.82 112.91 113.65 3kdp h THR 338 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kdp h THR 338 Cb 0.93 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3kdp h THR 338 CO 0.20 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.27 3kdp n LEU 339 N -2.29 0.83 0.00 2.58 4.77 -1.13 -2.61 117.00 119.15 3kdp n LEU 339 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3kdp n LEU 339 Cb 0.50 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kdp n LEU 339 CO 0.06 -0.34 0.37 0.41 -1.33 0.00 0.00 177.39 176.56 3kdp n THR 340 N -1.61 0.52 -0.02 -5.08 -1.04 0.14 -0.66 114.28 106.53 3kdp n THR 340 Ca 0.00 0.34 -0.01 0.00 -2.04 0.00 0.00 64.05 62.34 3kdp n THR 340 Cb 0.00 -1.34 -0.00 0.00 -1.82 0.00 0.00 70.33 67.16 3kdp n THR 340 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kdp n ALA 341 N -1.03 0.14 0.37 2.41 0.00 0.24 -4.02 120.51 118.61 3kdp n ALA 341 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.22 3kdp n ALA 341 Cb 0.21 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.78 3kdp n ALA 341 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kdp n LYS 342 N -2.91 0.19 0.06 0.00 5.02 -0.67 -1.06 118.16 118.78 3kdp n LYS 342 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 3kdp n LYS 342 Cb 0.08 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 3kdp n LYS 342 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kdp h ARG 343 N 0.00 -0.24 -0.69 1.97 2.43 -1.04 -3.33 114.38 113.48 3kdp h ARG 343 Ca 0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3kdp h ARG 343 Cb 0.00 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3kdp h ARG 343 CO 0.00 0.10 0.25 0.52 -1.51 0.00 0.00 179.97 179.33 3kdp h MET 344 N -0.96 1.03 0.00 0.20 2.86 -1.23 -1.46 114.93 115.36 3kdp h MET 344 Ca -0.03 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3kdp h MET 344 Cb 0.46 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3kdp h MET 344 CO 0.04 0.85 0.25 0.00 1.06 0.00 0.00 176.91 179.12 3kdp n ALA 345 N -2.45 0.64 0.07 6.32 0.00 -0.99 0.26 120.51 124.36 3kdp n ALA 345 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.63 3kdp n ALA 345 Cb 0.19 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 3kdp n ALA 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp h ARG 346 N 0.00 0.00 -0.43 0.00 3.08 -1.37 -3.09 114.38 112.57 3kdp h ARG 346 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdp h ARG 346 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kdp h ARG 346 CO 0.00 0.21 0.00 1.63 -1.07 0.00 0.00 179.97 180.74 3kdp n LYS 347 N -2.86 1.68 -1.02 0.04 4.76 0.73 -4.87 118.16 116.60 3kdp n LYS 347 Ca -0.05 -0.78 -0.01 0.00 -2.87 0.00 0.00 58.31 54.60 3kdp n LYS 347 Cb 0.73 -1.34 -0.00 0.00 -1.84 0.00 0.00 35.03 32.57 3kdp n LYS 347 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kdp n ASN 348 N 0.12 -3.59 -4.54 4.39 3.02 -0.86 -4.93 115.26 108.86 3kdp n ASN 348 Ca 0.07 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 3kdp n ASN 348 Cb 0.29 -1.17 -0.10 0.00 -0.61 0.00 0.00 39.78 38.19 3kdp n ASN 348 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kdp s LEU 350 N 1.82 4.40 -0.20 0.00 0.20 -1.22 -2.34 118.68 121.34 3kdp s LEU 350 Ca 0.08 1.09 -0.01 0.00 0.69 0.00 0.00 54.13 55.98 3kdp s LEU 350 Cb -0.17 -3.07 0.01 0.00 -0.43 0.00 0.00 46.19 42.53 3kdp s LEU 350 CO 0.11 0.18 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.52 3kdp s VAL 351 N -1.32 2.60 -0.50 1.68 1.01 -1.26 -1.78 120.40 120.82 3kdp s VAL 351 Ca 0.33 -0.76 0.22 0.00 0.00 0.00 0.00 61.98 61.78 3kdp s VAL 351 Cb -0.16 -2.14 -0.22 0.00 0.00 0.00 0.00 36.38 33.86 3kdp s VAL 351 CO 0.18 0.49 0.81 0.29 0.00 0.00 0.00 175.10 176.87 3kdp n LYS 352 N 4.69 0.35 -3.66 2.72 5.02 -0.33 -4.76 118.16 122.19 3kdp n LYS 352 Ca -0.20 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.74 3kdp n LYS 352 Cb 0.50 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.80 3kdp n LYS 352 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kdp s ASN 353 N -3.94 3.45 0.13 4.39 0.01 -1.25 -4.68 114.94 113.06 3kdp s ASN 353 Ca 0.01 -1.24 -0.30 0.00 -0.71 0.00 0.00 52.86 50.62 3kdp s ASN 353 Cb 0.14 -0.58 -0.09 0.00 0.41 0.00 0.00 41.25 41.13 3kdp s ASN 353 CO 0.86 -0.39 1.50 0.25 -1.51 0.00 0.00 177.10 177.80 3kdp h LEU 354 N 8.26 -1.80 -0.82 0.60 5.85 -1.83 0.53 115.31 126.10 3kdp h LEU 354 Ca -0.16 0.25 0.24 0.00 0.84 0.00 0.00 57.88 59.04 3kdp h LEU 354 Cb 1.05 0.76 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 3kdp h LEU 354 CO 0.41 -0.32 1.01 -0.62 -0.34 0.00 0.00 178.44 178.58 3kdp n GLU 355 N -5.11 0.01 0.16 1.25 1.02 -1.24 0.18 120.64 116.91 3kdp n GLU 355 Ca -0.02 0.84 0.12 0.00 -0.02 0.00 0.00 57.16 58.09 3kdp n GLU 355 Cb 0.29 -2.10 0.22 0.00 -0.02 0.00 0.00 31.44 29.83 3kdp n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kdp h ALA 356 N 0.41 0.91 -0.06 0.62 0.00 -0.30 -3.19 119.26 117.65 3kdp h ALA 356 Ca 0.39 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.32 3kdp h ALA 356 Cb 2.40 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 3kdp h ALA 356 CO -0.00 0.00 0.05 0.28 0.00 0.00 0.00 179.25 179.58 3kdp h VAL 357 N 0.00 0.68 0.15 0.00 2.07 0.19 -0.92 116.25 118.41 3kdp h VAL 357 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kdp h VAL 357 Cb 0.90 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3kdp h VAL 357 CO 0.00 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 177.44 3kdp h GLU 358 N 0.00 -0.19 -0.28 1.57 4.22 -1.74 -3.42 114.58 114.75 3kdp h GLU 358 Ca 0.03 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.53 3kdp h GLU 358 Cb 0.14 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3kdp h GLU 358 CO -0.00 -0.13 -0.09 2.41 -2.18 0.00 0.00 179.01 179.02 3kdp n THR 359 N -4.34 -0.13 -0.15 0.32 -1.04 -0.35 -0.47 114.28 108.12 3kdp n THR 359 Ca -0.02 0.65 0.26 0.00 -2.04 0.00 0.00 64.05 62.89 3kdp n THR 359 Cb 0.08 -0.87 0.70 0.00 -1.82 0.00 0.00 70.33 68.41 3kdp n THR 359 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3kdp h LEU 360 N 0.00 0.04 -0.03 -4.42 5.85 -1.80 -2.56 115.31 112.39 3kdp h LEU 360 Ca 0.11 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.58 3kdp h LEU 360 Cb 0.18 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.23 3kdp h LEU 360 CO -0.28 0.02 -0.97 1.23 -0.34 0.00 0.00 178.44 178.09 3kdp h GLY 361 N 0.04 0.80 -0.33 3.75 0.00 -1.00 -3.20 103.07 103.13 3kdp h GLY 361 Ca 0.39 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3kdp h GLY 361 CO -0.02 1.18 0.00 1.44 0.00 0.00 0.00 176.54 179.14 3kdp n SER 362 N -3.89 0.24 -4.74 0.19 7.64 -0.96 -4.73 113.62 107.37 3kdp n SER 362 Ca -0.10 -1.44 -0.38 0.00 1.01 0.00 0.00 58.87 57.96 3kdp n SER 362 Cb 0.85 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.87 3kdp n SER 362 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kdp s THR 363 N -1.67 5.14 -0.30 0.44 2.01 -1.21 -4.60 115.64 115.46 3kdp s THR 363 Ca 0.00 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.02 3kdp s THR 363 Cb 0.00 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 3kdp s THR 363 CO 0.00 0.37 0.27 -1.54 -0.69 0.00 0.00 174.62 173.03 3kdp n SER 364 N 3.34 0.31 -3.77 3.53 3.41 -0.35 -4.79 113.62 115.29 3kdp n SER 364 Ca -0.08 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.75 3kdp n SER 364 Cb 0.52 0.99 -0.14 0.00 -0.26 0.00 0.00 64.21 65.32 3kdp n SER 364 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kdp s THR 365 N -1.56 -0.03 -0.09 6.66 2.01 -0.98 -0.88 115.64 120.75 3kdp s THR 365 Ca 0.02 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.15 3kdp s THR 365 Cb 0.05 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 3kdp s THR 365 CO 0.25 0.05 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.47 3kdp s ILE 366 N 0.82 3.18 -0.19 1.82 1.01 0.50 -0.36 121.20 127.98 3kdp s ILE 366 Ca -0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 3kdp s ILE 366 Cb -0.08 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3kdp s ILE 366 CO -0.04 0.56 -0.15 0.00 0.00 0.00 0.00 174.94 175.30 3kdp s SER 368 N 1.32 3.16 0.14 0.00 0.15 -0.79 -0.47 113.70 117.21 3kdp s SER 368 Ca 0.05 -0.64 -0.34 0.00 0.70 0.00 0.00 55.95 55.72 3kdp s SER 368 Cb -0.13 -1.48 -0.16 0.00 -1.71 0.00 0.00 66.02 62.53 3kdp s SER 368 CO -0.09 0.01 1.17 -0.67 1.20 0.00 0.00 173.24 174.86 3kdp n ASP 369 N 4.57 1.19 0.01 5.45 -0.08 -0.75 -1.87 116.55 125.07 3kdp n ASP 369 Ca -0.21 1.14 -0.01 0.00 -1.51 0.00 0.00 54.79 54.20 3kdp n ASP 369 Cb 0.50 -1.17 -0.01 0.00 2.34 0.00 0.00 41.12 42.79 3kdp n ASP 369 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3kdp h LYS 370 N 3.55 -0.07 -6.37 -0.67 3.64 -1.92 -2.88 116.57 111.85 3kdp h LYS 370 Ca -0.44 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.39 3kdp h LYS 370 Cb 1.35 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3kdp h LYS 370 CO 0.71 -0.05 1.17 2.41 -2.27 0.00 0.00 179.45 181.42 3kdp n THR 371 N -3.34 0.62 0.00 1.00 -1.04 -1.26 -1.32 114.28 108.94 3kdp n THR 371 Ca -0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3kdp n THR 371 Cb 0.03 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 3kdp n THR 371 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kdp n GLY 372 N 4.42 2.68 0.00 3.41 0.00 -1.18 -4.69 105.19 109.83 3kdp n GLY 372 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3kdp n GLY 372 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kdp n THR 373 N -0.12 0.00 -0.25 2.61 -1.04 -1.09 -4.57 114.28 109.82 3kdp n THR 373 Ca 0.00 0.19 0.08 0.00 -2.04 0.00 0.00 64.05 62.28 3kdp n THR 373 Cb 0.00 -1.01 0.33 0.00 -1.82 0.00 0.00 70.33 67.84 3kdp n THR 373 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kdp h LEU 374 N 0.00 0.73 0.00 -4.42 3.38 -0.97 -3.46 115.31 110.57 3kdp h LEU 374 Ca 0.00 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 3kdp h LEU 374 Cb 0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3kdp h LEU 374 CO 0.00 0.43 -0.23 0.35 0.09 0.00 0.00 178.44 179.08 3kdp n THR 375 N -4.52 0.00 1.04 0.22 -2.24 -0.49 -2.76 114.28 105.53 3kdp n THR 375 Ca 0.14 -1.25 0.12 0.00 -2.27 0.00 0.00 64.05 60.79 3kdp n THR 375 Cb 0.32 0.14 0.08 0.00 -2.10 0.00 0.00 70.33 68.77 3kdp n THR 375 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdp n GLN 376 N -0.79 1.63 -3.88 -0.78 6.02 -0.92 -3.12 117.38 115.55 3kdp n GLN 376 Ca -0.09 -1.32 -0.25 0.00 -0.01 0.00 0.00 57.00 55.33 3kdp n GLN 376 Cb 0.34 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3kdp n GLN 376 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kdp n ASN 377 N 0.47 -1.49 -3.60 1.08 5.15 -1.26 -4.75 115.26 110.86 3kdp n ASN 377 Ca 0.12 -0.91 -0.29 0.00 -0.60 0.00 0.00 54.58 52.90 3kdp n ASN 377 Cb 0.51 -3.52 -0.15 0.00 -0.53 0.00 0.00 39.78 36.09 3kdp n ASN 377 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3kdp s ARG 378 N -6.38 0.32 0.15 1.20 3.52 -1.26 -4.98 118.95 111.52 3kdp s ARG 378 Ca 0.16 -0.61 -0.34 0.00 -0.13 0.00 0.00 55.73 54.81 3kdp s ARG 378 Cb -0.08 -1.45 -0.15 0.00 -1.56 0.00 0.00 34.95 31.71 3kdp s ARG 378 CO 0.86 -0.96 1.34 -0.12 -0.81 0.00 0.00 175.30 175.60 3kdp n MET 379 N 5.15 1.48 -3.61 5.12 0.00 -1.26 -4.61 117.12 119.39 3kdp n MET 379 Ca -0.05 0.53 -0.13 0.00 -0.00 0.00 0.00 57.70 58.05 3kdp n MET 379 Cb 0.43 -2.15 -0.07 0.00 0.00 0.00 0.00 33.22 31.43 3kdp n MET 379 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3kdp s THR 380 N 0.25 0.00 0.01 1.12 -1.32 0.30 -4.58 115.64 111.42 3kdp s THR 380 Ca 0.77 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.95 3kdp s THR 380 Cb -0.82 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.08 3kdp s THR 380 CO 0.47 0.00 2.00 -0.69 -2.21 0.00 0.00 174.62 174.19 3kdp s VAL 381 N -0.01 3.01 -0.17 5.08 1.01 -1.26 -1.65 120.40 126.42 3kdp s VAL 381 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 3kdp s VAL 381 Cb -0.04 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 3kdp s VAL 381 CO 0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 175.10 174.90 3kdp n ALA 382 N 7.95 1.91 -2.47 5.51 0.00 0.14 -4.66 120.51 128.89 3kdp n ALA 382 Ca 0.21 -0.66 -0.25 0.00 0.00 0.00 0.00 53.44 52.74 3kdp n ALA 382 Cb 0.41 0.27 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 3kdp n ALA 382 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kdp s HIS 383 N -2.30 1.78 0.19 0.00 3.76 -0.79 -1.82 115.29 116.10 3kdp s HIS 383 Ca -0.23 -1.43 -0.18 0.00 -0.15 0.00 0.00 55.06 53.06 3kdp s HIS 383 Cb 0.09 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.76 3kdp s HIS 383 CO 0.30 -0.48 0.54 -1.64 -0.85 0.00 0.00 174.74 172.60 3kdp s MET 384 N -3.59 1.38 -0.39 1.40 -1.94 -0.67 -2.31 119.30 113.17 3kdp s MET 384 Ca 0.26 -0.81 0.10 0.00 -1.71 0.00 0.00 55.69 53.53 3kdp s MET 384 Cb 0.01 0.53 0.43 0.00 2.01 0.00 0.00 34.83 37.82 3kdp s MET 384 CO 0.18 -0.59 1.04 1.87 -0.01 0.00 0.00 175.02 177.51 3kdp n TRP 385 N -0.35 2.47 -0.73 -0.03 -0.00 0.11 -1.85 117.44 117.07 3kdp n TRP 385 Ca -0.11 -3.02 -0.32 0.00 -0.00 0.00 0.00 57.50 54.05 3kdp n TRP 385 Cb 0.63 -0.22 0.15 0.00 -0.00 0.00 0.00 31.31 31.87 3kdp n TRP 385 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 3kdp n SER 386 N -0.29 -0.27 -3.39 5.87 7.64 -1.24 -3.91 113.62 118.03 3kdp n SER 386 Ca 0.27 0.41 -0.19 0.00 1.01 0.00 0.00 58.87 60.36 3kdp n SER 386 Cb 0.72 -1.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.46 3kdp n SER 386 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kdp n ASP 387 N -3.43 0.05 0.00 6.43 10.43 -1.26 -1.68 116.55 127.09 3kdp n ASP 387 Ca 0.11 -0.69 0.00 0.00 2.57 0.00 0.00 54.79 56.77 3kdp n ASP 387 Cb 0.52 -0.87 0.00 0.00 1.84 0.00 0.00 41.12 42.62 3kdp n ASP 387 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kdp n ASN 388 N -1.29 0.00 -4.80 -2.24 5.15 -1.26 -4.94 115.26 105.87 3kdp n ASN 388 Ca -0.10 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.55 3kdp n ASN 388 Cb 0.34 -1.13 -0.07 0.00 -0.53 0.00 0.00 39.78 38.39 3kdp n ASN 388 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3kdp s GLN 389 N 0.00 3.13 -0.20 1.20 2.00 -0.67 -5.09 119.66 120.02 3kdp s GLN 389 Ca 0.00 -0.45 -0.21 0.00 -2.00 0.00 0.00 55.36 52.70 3kdp s GLN 389 Cb 0.00 -2.90 -0.02 0.00 0.80 0.00 0.00 33.01 30.88 3kdp s GLN 389 CO 0.00 0.65 0.66 0.42 -0.50 0.00 0.00 175.29 176.52 3kdp s ILE 390 N -1.21 4.99 0.20 -2.34 1.01 -1.26 -3.73 121.20 118.86 3kdp s ILE 390 Ca 0.23 1.25 0.05 0.00 0.00 0.00 0.00 60.65 62.18 3kdp s ILE 390 Cb -0.12 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3kdp s ILE 390 CO 0.14 0.09 0.21 -1.00 0.00 0.00 0.00 174.94 174.38 3kdp s HIS 391 N 2.03 3.24 0.02 3.97 3.76 -0.77 -4.94 115.29 122.60 3kdp s HIS 391 Ca 0.30 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 3kdp s HIS 391 Cb -0.16 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 3kdp s HIS 391 CO 0.10 0.51 -0.14 -1.83 -0.85 0.00 0.00 174.74 172.53 3kdp s GLU 392 N -3.47 0.99 0.54 1.40 -1.05 -1.26 -1.67 118.70 114.18 3kdp s GLU 392 Ca 0.33 -0.65 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 3kdp s GLU 392 Cb -0.09 -0.98 0.01 0.00 -0.44 0.00 0.00 34.13 32.63 3kdp s GLU 392 CO 0.26 0.25 0.16 0.00 0.95 0.00 0.00 175.26 176.88 3kdp s ALA 393 N -0.64 4.33 -0.55 -0.84 0.00 -0.76 -4.50 121.76 118.79 3kdp s ALA 393 Ca 0.03 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 3kdp s ALA 393 Cb -0.07 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.84 3kdp s ALA 393 CO 0.01 -0.18 0.79 0.34 0.00 0.00 0.00 175.76 176.71 3kdp s ASP 394 N -4.05 6.25 -0.17 0.00 -1.08 -1.26 -4.91 116.67 111.45 3kdp s ASP 394 Ca 0.14 -0.82 0.05 0.00 -0.52 0.00 0.00 52.55 51.40 3kdp s ASP 394 Cb -0.01 -2.36 0.40 0.00 -1.46 0.00 0.00 42.92 39.50 3kdp s ASP 394 CO 0.09 -1.11 1.29 0.35 0.52 0.00 0.00 175.17 176.31 3kdp n THR 395 N 5.83 1.75 -2.19 1.71 -2.24 -1.26 -4.87 114.28 113.01 3kdp n THR 395 Ca -0.04 -0.85 -0.06 0.00 -2.27 0.00 0.00 64.05 60.83 3kdp n THR 395 Cb 0.46 -0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.19 3kdp n THR 395 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kdp n THR 396 N 0.04 0.00 0.20 4.28 -2.24 -1.26 -4.74 114.28 110.56 3kdp n THR 396 Ca 0.22 -0.38 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 3kdp n THR 396 Cb 0.91 -1.34 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 3kdp n THR 396 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kdp n GLU 397 N -1.51 0.96 0.00 -0.78 1.02 -1.26 -4.54 120.64 114.53 3kdp n GLU 397 Ca 0.04 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3kdp n GLU 397 Cb 0.15 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3kdp n GLU 397 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3kdp n ASN 398 N -1.83 4.26 -1.07 1.62 0.23 -1.26 -4.90 115.26 112.31 3kdp n ASN 398 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3kdp n ASN 398 Cb 0.35 0.77 0.00 0.00 -2.08 0.00 0.00 39.78 38.82 3kdp n ASN 398 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kdp n GLN 399 N -1.38 0.00 0.00 -3.83 1.13 -1.26 -5.04 117.38 107.00 3kdp n GLN 399 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3kdp n GLN 399 Cb 0.08 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.79 3kdp n GLN 399 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3kdp n SER 400 N -1.07 0.00 -2.88 1.08 7.64 -1.26 -4.91 113.62 112.21 3kdp n SER 400 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3kdp n SER 400 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3kdp n SER 400 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdp n GLY 401 N -0.34 -1.92 3.99 0.23 0.00 -1.26 -5.03 105.19 100.87 3kdp n GLY 401 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 3kdp n GLY 401 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdp s VAL 402 N 0.00 3.36 0.00 1.61 1.01 -1.26 -4.98 120.40 120.14 3kdp s VAL 402 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3kdp s VAL 402 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3kdp s VAL 402 CO 0.00 -0.06 0.00 -1.20 0.00 0.00 0.00 175.10 173.84 3kdp n SER 403 N -1.76 0.00 0.00 3.32 7.64 -1.26 -4.12 113.62 117.44 3kdp n SER 403 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3kdp n SER 403 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3kdp n SER 403 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3kdp n PHE 404 N 0.00 0.00 -0.08 1.43 1.16 -1.26 -4.56 117.46 114.15 3kdp n PHE 404 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3kdp n PHE 404 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3kdp n PHE 404 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3kdp n ASP 405 N -0.09 0.00 0.00 5.98 2.03 -1.26 -4.94 116.55 118.27 3kdp n ASP 405 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3kdp n ASP 405 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3kdp n ASP 405 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3kdp n LYS 406 N -0.85 0.00 -0.22 -0.67 0.00 -1.26 -4.98 118.16 110.19 3kdp n LYS 406 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 3kdp n LYS 406 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 3kdp n LYS 406 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3kdp h THR 407 N 0.00 0.35 -4.09 3.15 1.35 -2.03 -3.41 112.91 108.23 3kdp h THR 407 Ca 0.00 -0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.34 3kdp h THR 407 Cb 0.00 0.35 0.09 0.00 -1.73 0.00 0.00 68.15 66.86 3kdp h THR 407 CO 0.00 0.00 0.46 -0.55 -0.25 0.00 0.00 175.52 175.18 3kdp s SER 408 N -5.23 5.49 0.08 5.36 0.15 -1.26 -4.95 113.70 113.33 3kdp s SER 408 Ca -0.14 2.29 -0.15 0.00 0.70 0.00 0.00 55.95 58.65 3kdp s SER 408 Cb 0.20 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.76 3kdp s SER 408 CO 0.74 -1.38 1.29 0.00 1.20 0.00 0.00 173.24 175.08 3kdp h ALA 409 N 1.10 0.28 -0.92 5.45 0.00 -1.79 -3.18 119.26 120.20 3kdp h ALA 409 Ca -0.50 -0.54 0.35 0.00 0.00 0.00 0.00 54.91 54.22 3kdp h ALA 409 Cb 1.28 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 3kdp h ALA 409 CO 0.56 0.53 0.39 2.41 0.00 0.00 0.00 179.25 183.14 3kdp n THR 410 N -4.09 -0.39 0.46 0.00 -1.04 -1.26 0.51 114.28 108.47 3kdp n THR 410 Ca -0.07 1.90 -0.19 0.00 -2.04 0.00 0.00 64.05 63.64 3kdp n THR 410 Cb 0.66 -3.01 -0.09 0.00 -1.82 0.00 0.00 70.33 66.07 3kdp n THR 410 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3kdp h TRP 411 N 0.00 -1.08 -1.19 -1.42 2.91 -1.88 -0.35 115.95 112.94 3kdp h TRP 411 Ca 0.73 -0.03 0.35 0.00 1.13 0.00 0.00 58.89 61.07 3kdp h TRP 411 Cb 1.85 0.36 -0.05 0.00 -0.51 0.00 0.00 29.16 30.81 3kdp h TRP 411 CO -0.12 -0.67 1.15 1.28 -1.03 0.00 0.00 178.44 179.06 3kdp n LEU 412 N -5.58 0.00 -0.06 0.65 4.77 0.18 -0.35 117.00 116.62 3kdp n LEU 412 Ca -0.15 0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 56.36 3kdp n LEU 412 Cb 0.47 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 3kdp n LEU 412 CO 0.38 -0.74 -0.56 0.00 -1.33 0.00 0.00 177.39 175.13 3kdp h ALA 413 N 0.60 0.29 -0.47 -1.18 0.00 -0.95 -3.01 119.26 114.54 3kdp h ALA 413 Ca 0.57 -1.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 3kdp h ALA 413 Cb 2.87 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 21.33 3kdp h ALA 413 CO -0.01 0.86 -0.20 1.25 0.00 0.00 0.00 179.25 181.16 3kdp h LEU 414 N -0.63 0.99 -0.57 0.00 5.85 0.73 -2.34 115.31 119.34 3kdp h LEU 414 Ca -0.36 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.09 3kdp h LEU 414 Cb 1.55 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 3kdp h LEU 414 CO -0.09 1.16 0.02 -1.28 -0.34 0.00 0.00 178.44 177.91 3kdp h SER 415 N 0.82 -0.22 0.15 1.25 0.87 -0.84 -1.95 113.55 113.62 3kdp h SER 415 Ca 0.11 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3kdp h SER 415 Cb 0.78 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 3kdp h SER 415 CO 0.06 -0.08 -0.19 -0.09 -0.53 0.00 0.00 176.83 176.00 3kdp h ARG 416 N 0.13 -0.37 0.04 2.24 2.43 -1.34 -1.46 114.38 116.06 3kdp h ARG 416 Ca 0.30 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3kdp h ARG 416 Cb 0.47 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3kdp h ARG 416 CO -0.47 -0.24 -0.17 0.82 -1.51 0.00 0.00 179.97 178.39 3kdp h ILE 417 N -0.38 0.00 -0.72 1.20 2.04 -1.22 0.59 117.51 119.01 3kdp h ILE 417 Ca 0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.06 3kdp h ILE 417 Cb 0.38 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3kdp h ILE 417 CO -0.07 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.58 3kdp h ALA 418 N -1.22 2.52 0.12 1.87 0.00 -1.18 0.28 119.26 121.64 3kdp h ALA 418 Ca -0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 3kdp h ALA 418 Cb 0.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kdp h ALA 418 CO -0.09 -0.73 -1.92 0.78 0.00 0.00 0.00 179.25 177.28 3kdp h GLY 419 N 0.10 0.28 1.70 0.00 0.00 -1.15 -3.40 103.07 100.60 3kdp h GLY 419 Ca 0.35 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 3kdp h GLY 419 CO -0.04 0.63 -0.75 -2.00 0.00 0.00 0.00 176.54 174.38 3kdp h LEU 420 N 0.07 0.35 -7.53 3.11 5.85 0.34 -3.39 115.31 114.11 3kdp h LEU 420 Ca -0.39 -0.24 -0.74 0.00 0.84 0.00 0.00 57.88 57.35 3kdp h LEU 420 Cb 2.04 -0.10 -0.32 0.00 0.37 0.00 0.00 40.66 42.64 3kdp h LEU 420 CO 0.10 0.98 -0.02 0.00 -0.34 0.00 0.00 178.44 179.16 3kdp n ASN 422 N 3.03 0.00 -0.84 0.00 2.85 -1.26 -4.83 115.26 114.22 3kdp n ASN 422 Ca 0.17 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.72 3kdp n ASN 422 Cb 0.40 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.60 3kdp n ASN 422 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kdp n ARG 423 N -0.04 2.52 -2.71 1.20 1.74 -1.26 -4.97 116.66 113.13 3kdp n ARG 423 Ca 0.00 -2.11 -0.42 0.00 -0.77 0.00 0.00 57.85 54.55 3kdp n ARG 423 Cb 0.00 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 3kdp n ARG 423 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdp s ALA 424 N -1.05 3.21 0.15 7.54 0.00 -1.26 -4.89 121.76 125.46 3kdp s ALA 424 Ca 0.29 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3kdp s ALA 424 Cb 0.16 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.94 3kdp s ALA 424 CO 0.21 -0.30 0.13 1.33 0.00 0.00 0.00 175.76 177.13 3kdp n VAL 425 N 4.03 0.00 -4.06 0.00 0.24 -1.26 -4.99 118.33 112.29 3kdp n VAL 425 Ca 0.06 -0.57 -0.24 0.00 -2.04 0.00 0.00 64.34 61.55 3kdp n VAL 425 Cb 0.51 -0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 32.38 3kdp n VAL 425 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kdp s PHE 426 N -0.60 3.23 0.54 6.34 0.40 -1.26 -3.04 117.98 123.58 3kdp s PHE 426 Ca 0.10 -0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.21 3kdp s PHE 426 Cb -0.01 -1.51 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 3kdp s PHE 426 CO 0.06 0.51 1.10 -0.65 0.70 0.00 0.00 175.22 176.94 3kdp s GLN 427 N -3.45 3.43 0.71 0.44 -1.52 -0.09 -4.84 119.66 114.34 3kdp s GLN 427 Ca 0.32 1.51 -0.16 0.00 -1.95 0.00 0.00 55.36 55.08 3kdp s GLN 427 Cb -0.09 -2.03 -0.02 0.00 -0.22 0.00 0.00 33.01 30.65 3kdp s GLN 427 CO 0.25 -0.77 0.72 0.00 -0.25 0.00 0.00 175.29 175.25 3kdp n ALA 428 N -1.34 -0.91 -3.17 6.09 0.00 -1.26 -4.11 120.51 115.81 3kdp n ALA 428 Ca 0.11 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 3kdp n ALA 428 Cb 0.52 -1.97 0.01 0.00 0.00 0.00 0.00 19.45 18.01 3kdp n ALA 428 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdp n ASN 429 N -0.83 -6.94 0.00 0.00 3.02 -1.26 -4.93 115.26 104.32 3kdp n ASN 429 Ca 0.11 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3kdp n ASN 429 Cb 0.49 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3kdp n ASN 429 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kdp n GLN 430 N -0.81 0.00 0.22 3.52 6.02 -1.26 -4.88 117.38 120.18 3kdp n GLN 430 Ca -0.01 -0.02 0.15 0.00 -0.01 0.00 0.00 57.00 57.11 3kdp n GLN 430 Cb 0.55 -0.06 0.77 0.00 1.02 0.00 0.00 30.24 32.53 3kdp n GLN 430 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3kdp h GLU 431 N 0.00 0.00 0.54 -1.09 3.07 -1.91 -2.93 114.58 112.26 3kdp h GLU 431 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3kdp h GLU 431 Cb 0.66 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3kdp h GLU 431 CO 0.00 0.00 -0.26 -0.91 -1.40 0.00 0.00 179.01 176.44 3kdp h ASN 432 N 0.00 -0.61 -3.47 1.42 -0.26 -2.01 -3.46 115.58 107.19 3kdp h ASN 432 Ca 0.00 0.02 -0.45 0.00 -0.56 0.00 0.00 56.30 55.31 3kdp h ASN 432 Cb 0.03 0.16 0.20 0.00 -1.06 0.00 0.00 38.32 37.64 3kdp h ASN 432 CO 0.00 -0.40 0.07 -0.76 -1.06 0.00 0.00 177.43 175.27 3kdp s LEU 433 N -7.48 1.13 0.34 1.61 1.43 -1.11 -4.93 118.68 109.67 3kdp s LEU 433 Ca -0.11 1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 54.20 3kdp s LEU 433 Cb 0.01 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 3kdp s LEU 433 CO 0.32 -3.90 1.20 -2.84 0.23 0.00 0.00 176.35 171.36 3kdp s PRO 434 N -4.59 4.31 0.14 1.29 0.02 -1.26 -4.89 135.00 130.02 3kdp s PRO 434 Ca 0.68 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 3kdp s PRO 434 Cb -0.23 -2.95 0.11 0.00 0.02 0.00 0.00 34.50 31.45 3kdp s PRO 434 CO 0.63 -0.13 0.97 -0.89 -0.33 0.00 0.00 177.00 177.25 3kdp n ILE 435 N 0.62 -0.35 -0.13 2.83 2.08 -1.26 -0.76 119.36 122.38 3kdp n ILE 435 Ca 0.01 1.48 -0.08 0.00 0.56 0.00 0.00 62.75 64.73 3kdp n ILE 435 Cb 0.44 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 3kdp n ILE 435 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3kdp h LEU 436 N 0.00 0.48 -0.88 1.39 3.38 -1.92 -2.56 115.31 115.19 3kdp h LEU 436 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kdp h LEU 436 Cb 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kdp h LEU 436 CO -0.62 0.37 0.00 0.29 0.09 0.00 0.00 178.44 178.57 3kdp n LYS 437 N -4.78 0.96 -3.22 1.13 5.02 0.06 -4.85 118.16 112.47 3kdp n LYS 437 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 3kdp n LYS 437 Cb 0.04 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 3kdp n LYS 437 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kdp s ARG 438 N -1.12 4.09 -0.32 1.97 0.52 -0.97 -4.86 118.95 118.27 3kdp s ARG 438 Ca 0.00 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 3kdp s ARG 438 Cb 0.00 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.66 3kdp s ARG 438 CO 0.00 0.39 1.23 0.00 0.02 0.00 0.00 175.30 176.94 3kdp s ALA 439 N -1.58 3.38 0.92 2.13 0.00 -1.26 -5.00 121.76 120.35 3kdp s ALA 439 Ca 0.43 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.25 3kdp s ALA 439 Cb -0.15 -3.76 0.17 0.00 0.00 0.00 0.00 23.12 19.38 3kdp s ALA 439 CO 0.20 -1.75 1.28 0.14 0.00 0.00 0.00 175.76 175.64 3kdp s VAL 440 N 4.21 2.00 -0.28 0.00 -7.23 -1.26 -0.91 120.40 116.93 3kdp s VAL 440 Ca 0.53 -0.01 0.19 0.00 -1.81 0.00 0.00 61.98 60.88 3kdp s VAL 440 Cb -0.15 -3.00 0.49 0.00 0.56 0.00 0.00 36.38 34.29 3kdp s VAL 440 CO 0.22 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.10 3kdp n ALA 441 N -3.65 3.23 -2.00 1.32 0.00 -1.17 -4.58 120.51 113.66 3kdp n ALA 441 Ca 0.13 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.52 3kdp n ALA 441 Cb 0.60 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3kdp n ALA 441 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdp n GLY 442 N -0.52 2.00 0.00 0.00 0.00 -1.26 -4.48 105.19 100.93 3kdp n GLY 442 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kdp n GLY 442 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdp n ASP 443 N 0.00 0.00 0.00 1.61 5.68 -1.26 -4.96 116.55 117.62 3kdp n ASP 443 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3kdp n ASP 443 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kdp n ASP 443 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kdp n ALA 444 N -0.18 0.00 0.09 2.12 0.00 -1.26 -1.45 120.51 119.83 3kdp n ALA 444 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kdp n ALA 444 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3kdp n ALA 444 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kdp h SER 445 N 0.00 -0.22 -0.58 0.00 0.02 -1.97 -2.69 113.55 108.11 3kdp h SER 445 Ca 0.00 -0.27 0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3kdp h SER 445 Cb 0.00 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 62.48 3kdp h SER 445 CO 0.00 0.19 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.36 3kdp h GLU 446 N -0.67 -0.05 0.00 3.45 4.39 -1.65 0.18 114.58 120.22 3kdp h GLU 446 Ca -0.03 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 3kdp h GLU 446 Cb 0.48 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3kdp h GLU 446 CO 0.04 -0.03 -0.96 0.66 -1.16 0.00 0.00 179.01 177.56 3kdp h SER 447 N -0.05 0.58 -0.28 1.42 4.64 -1.49 -0.26 113.55 118.10 3kdp h SER 447 Ca 0.27 -0.46 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3kdp h SER 447 Cb 0.47 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3kdp h SER 447 CO -0.63 1.26 0.26 0.00 -0.87 0.00 0.00 176.83 176.86 3kdp h ALA 448 N 0.70 2.02 0.16 5.18 0.00 -0.67 0.23 119.26 126.88 3kdp h ALA 448 Ca -0.09 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.46 3kdp h ALA 448 Cb 1.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3kdp h ALA 448 CO 0.17 -0.40 -1.84 -0.07 0.00 0.00 0.00 179.25 177.11 3kdp h LEU 449 N 0.00 0.55 -0.32 0.00 3.38 -0.19 -2.91 115.31 115.81 3kdp h LEU 449 Ca 0.13 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.21 3kdp h LEU 449 Cb 0.65 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3kdp h LEU 449 CO -0.00 1.82 -0.02 0.25 0.09 0.00 0.00 178.44 180.58 3kdp h LEU 450 N 0.09 -0.17 -0.07 1.67 6.46 0.22 -1.79 115.31 121.72 3kdp h LEU 450 Ca -0.37 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 3kdp h LEU 450 Cb 2.07 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 42.14 3kdp h LEU 450 CO 0.14 -0.05 0.00 0.11 -0.62 0.00 0.00 178.44 178.03 3kdp h LYS 451 N 0.07 0.13 -0.90 1.25 1.57 -0.73 -2.22 116.57 115.75 3kdp h LYS 451 Ca 0.15 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 3kdp h LYS 451 Cb 0.21 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.34 3kdp h LYS 451 CO -0.27 0.40 -0.22 0.00 -0.57 0.00 0.00 179.45 178.78 3kdp n ILE 453 N -5.57 0.00 -0.04 0.00 2.08 -0.73 -2.49 119.36 112.61 3kdp n ILE 453 Ca 0.14 0.62 -0.01 0.00 0.56 0.00 0.00 62.75 64.05 3kdp n ILE 453 Cb 0.45 -1.23 -0.01 0.00 -0.75 0.00 0.00 39.64 38.11 3kdp n ILE 453 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3kdp n GLU 454 N -0.57 -0.04 -0.12 0.38 4.07 -0.85 0.20 120.64 123.71 3kdp n GLU 454 Ca 0.00 0.15 -0.09 0.00 -0.06 0.00 0.00 57.16 57.16 3kdp n GLU 454 Cb 0.00 -0.22 -0.07 0.00 -0.06 0.00 0.00 31.44 31.10 3kdp n GLU 454 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3kdp h LEU 455 N 0.00 -1.28 -3.27 4.31 6.46 -1.41 -3.27 115.31 116.85 3kdp h LEU 455 Ca 0.02 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3kdp h LEU 455 Cb 0.04 0.53 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3kdp h LEU 455 CO -0.09 -0.25 -0.01 0.00 -0.62 0.00 0.00 178.44 177.47 3kdp n GLY 458 N -0.71 -1.45 3.57 0.00 0.00 -1.23 -4.68 105.19 100.69 3kdp n GLY 458 Ca -0.02 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 3kdp n GLY 458 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdp s SER 459 N -5.57 1.69 0.00 1.61 0.15 -1.26 -3.69 113.70 106.62 3kdp s SER 459 Ca 0.00 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.03 3kdp s SER 459 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3kdp s SER 459 CO 0.00 -3.74 0.00 0.52 1.20 0.00 0.00 173.24 171.22 3kdp n VAL 460 N -4.60 0.00 -0.14 4.45 0.31 -1.26 -3.94 118.33 113.15 3kdp n VAL 460 Ca 0.04 0.00 0.27 0.00 -0.01 0.00 0.00 64.34 64.64 3kdp n VAL 460 Cb 0.56 -0.18 0.72 0.00 -0.91 0.00 0.00 33.84 34.02 3kdp n VAL 460 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kdp h LYS 461 N 0.00 0.00 0.00 5.55 1.79 -1.96 -2.86 116.57 119.10 3kdp h LYS 461 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kdp h LYS 461 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3kdp h LYS 461 CO 0.00 0.00 -0.20 0.93 -1.08 0.00 0.00 179.45 179.10 3kdp h GLU 462 N 0.00 0.00 0.00 3.15 5.08 -1.99 -3.37 114.58 117.45 3kdp h GLU 462 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3kdp h GLU 462 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3kdp h GLU 462 CO -0.00 0.00 0.00 -0.12 -1.00 0.00 0.00 179.01 177.89 3kdp n MET 463 N -4.30 0.00 -2.64 2.33 1.56 -1.09 -0.63 117.12 112.36 3kdp n MET 463 Ca -0.03 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.31 3kdp n MET 463 Cb 0.10 -0.96 0.03 0.00 2.15 0.00 0.00 33.22 34.55 3kdp n MET 463 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3kdp n ARG 464 N -0.18 1.88 0.00 2.12 1.74 -1.16 -4.37 116.66 116.70 3kdp n ARG 464 Ca 0.00 -3.59 0.00 0.00 -0.77 0.00 0.00 57.85 53.49 3kdp n ARG 464 Cb 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 3kdp n ARG 464 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kdp n GLU 465 N -0.36 2.06 0.06 5.56 1.02 0.20 -4.79 120.64 124.38 3kdp n GLU 465 Ca 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.27 3kdp n GLU 465 Cb 0.81 -0.26 -0.01 0.00 -0.02 0.00 0.00 31.44 31.96 3kdp n GLU 465 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kdp h ARG 466 N 0.00 -0.15 -4.88 3.49 3.08 -1.79 -3.33 114.38 110.80 3kdp h ARG 466 Ca 0.00 0.01 -0.71 0.00 0.07 0.00 0.00 59.98 59.35 3kdp h ARG 466 Cb 0.00 0.03 -0.18 0.00 0.08 0.00 0.00 29.97 29.90 3kdp h ARG 466 CO 0.00 -0.10 0.97 0.71 -1.07 0.00 0.00 179.97 180.48 3kdp s TYR 467 N -3.38 3.28 0.26 3.04 4.12 -1.26 -4.66 117.35 118.75 3kdp s TYR 467 Ca -0.02 -1.67 -0.29 0.00 0.02 0.00 0.00 57.07 55.10 3kdp s TYR 467 Cb 0.00 -4.27 -0.09 0.00 -1.52 0.00 0.00 41.96 36.08 3kdp s TYR 467 CO 0.08 -1.43 1.17 0.95 0.02 0.00 0.00 175.55 176.33 3kdp s THR 468 N 2.19 3.36 0.03 -0.71 -4.23 -1.25 -4.69 115.64 110.34 3kdp s THR 468 Ca 0.35 1.30 -0.26 0.00 -1.18 0.00 0.00 61.69 61.91 3kdp s THR 468 Cb -0.04 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 3kdp s THR 468 CO -0.06 0.28 0.79 -1.59 -0.54 0.00 0.00 174.62 173.50 3kdp s LYS 469 N -1.15 4.51 -0.24 3.99 -2.85 -1.26 -1.06 119.74 121.67 3kdp s LYS 469 Ca 0.48 1.10 -0.02 0.00 -1.00 0.00 0.00 55.97 56.52 3kdp s LYS 469 Cb -0.34 -3.39 -0.14 0.00 -2.06 0.00 0.00 37.83 31.90 3kdp s LYS 469 CO 0.42 0.21 -0.24 0.44 0.10 0.00 0.00 175.35 176.28 3kdp n ILE 470 N 3.08 1.37 -3.96 3.79 -5.35 -0.56 -4.95 119.36 112.78 3kdp n ILE 470 Ca -0.01 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 61.90 3kdp n ILE 470 Cb 0.50 -1.47 -0.08 0.00 -1.74 0.00 0.00 39.64 36.85 3kdp n ILE 470 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kdp s VAL 471 N -2.47 0.11 0.17 7.28 0.11 -1.20 -5.04 120.40 119.35 3kdp s VAL 471 Ca -0.33 -1.41 -0.17 0.00 -2.93 0.00 0.00 61.98 57.14 3kdp s VAL 471 Cb 0.10 -1.66 0.03 0.00 -1.53 0.00 0.00 36.38 33.31 3kdp s VAL 471 CO 0.52 -0.50 0.48 -1.83 -3.33 0.00 0.00 175.10 170.44 3kdp s GLU 472 N -3.94 1.26 -0.26 1.54 -1.05 -1.26 -1.77 118.70 113.23 3kdp s GLU 472 Ca 0.13 -0.80 -0.01 0.00 -0.15 0.00 0.00 54.97 54.13 3kdp s GLU 472 Cb 0.05 0.50 0.08 0.00 -0.44 0.00 0.00 34.13 34.32 3kdp s GLU 472 CO -0.04 -0.52 0.05 0.42 0.95 0.00 0.00 175.26 176.11 3kdp s ILE 473 N -3.85 0.86 0.72 1.83 1.01 -0.03 -5.01 121.20 116.73 3kdp s ILE 473 Ca 0.07 -1.07 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3kdp s ILE 473 Cb 0.00 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.03 3kdp s ILE 473 CO -0.06 -0.42 1.07 -2.84 0.00 0.00 0.00 174.94 172.69 3kdp s PRO 474 N 1.67 2.77 -0.07 2.79 0.02 -1.26 -2.25 135.00 138.66 3kdp s PRO 474 Ca 0.03 0.86 -0.32 0.00 0.02 0.00 0.00 61.00 61.59 3kdp s PRO 474 Cb -0.17 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 3kdp s PRO 474 CO -0.16 -1.19 1.96 0.34 -0.33 0.00 0.00 177.00 177.62 3kdp n PHE 475 N -3.18 2.33 -4.71 6.54 -0.00 -1.26 -4.87 117.46 112.31 3kdp n PHE 475 Ca 0.07 -0.12 -0.33 0.00 -0.00 0.00 0.00 57.45 57.07 3kdp n PHE 475 Cb 0.54 -2.71 -0.14 0.00 -0.00 0.00 0.00 39.48 37.18 3kdp n PHE 475 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3kdp s ASN 476 N 4.73 4.20 0.43 -2.13 -0.87 -1.25 -5.02 114.94 115.03 3kdp s ASN 476 Ca 0.93 -0.26 0.15 0.00 -1.57 0.00 0.00 52.86 52.11 3kdp s ASN 476 Cb -0.59 -1.54 1.04 0.00 -0.02 0.00 0.00 41.25 40.14 3kdp s ASN 476 CO 0.47 0.20 1.94 -1.28 -2.57 0.00 0.00 177.10 175.86 3kdp h SER 477 N 6.48 0.38 0.57 -1.22 0.87 -1.94 -1.42 113.55 117.28 3kdp h SER 477 Ca -0.30 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 3kdp h SER 477 Cb 1.20 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 3kdp h SER 477 CO 0.56 0.21 -0.47 0.71 -0.53 0.00 0.00 176.83 177.32 3kdp h THR 478 N 0.41 0.00 -0.00 2.23 1.35 -1.99 -3.29 112.91 111.61 3kdp h THR 478 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 3kdp h THR 478 Cb 0.72 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 3kdp h THR 478 CO -0.10 0.00 -0.37 -0.46 -0.25 0.00 0.00 175.52 174.34 3kdp n ASN 479 N -5.32 0.64 -0.91 5.36 0.23 -0.78 -4.94 115.26 109.53 3kdp n ASN 479 Ca -0.12 -0.44 -0.10 0.00 -0.53 0.00 0.00 54.58 53.39 3kdp n ASN 479 Cb 0.45 0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 38.26 3kdp n ASN 479 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3kdp n LYS 480 N -1.19 -1.58 -4.43 -3.83 3.00 -0.60 -4.92 118.16 104.61 3kdp n LYS 480 Ca 0.08 0.70 -0.21 0.00 -0.00 0.00 0.00 58.31 58.88 3kdp n LYS 480 Cb 0.34 -4.85 -0.10 0.00 0.00 0.00 0.00 35.03 30.41 3kdp n LYS 480 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 3kdp s TYR 481 N -1.71 1.95 -0.01 5.64 -0.85 -1.26 -2.29 117.35 118.81 3kdp s TYR 481 Ca 0.00 -0.71 -0.02 0.00 -0.52 0.00 0.00 57.07 55.82 3kdp s TYR 481 Cb 0.00 -1.12 0.00 0.00 0.38 0.00 0.00 41.96 41.22 3kdp s TYR 481 CO 0.00 0.27 0.04 -1.14 -1.52 0.00 0.00 175.55 173.20 3kdp s GLN 482 N -3.73 0.12 -0.04 -3.49 0.74 0.02 -3.86 119.66 109.41 3kdp s GLN 482 Ca 0.30 -0.06 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 3kdp s GLN 482 Cb 0.04 0.05 0.04 0.00 1.10 0.00 0.00 33.01 34.24 3kdp s GLN 482 CO 0.12 -0.02 0.43 -0.48 -0.55 0.00 0.00 175.29 174.79 3kdp s LEU 483 N -0.28 0.38 0.02 3.68 0.05 -0.95 -1.41 118.68 120.16 3kdp s LEU 483 Ca -0.03 0.35 0.02 0.00 0.05 0.00 0.00 54.13 54.52 3kdp s LEU 483 Cb -0.02 1.65 -0.01 0.00 -2.05 0.00 0.00 46.19 45.75 3kdp s LEU 483 CO -0.00 -0.46 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.83 3kdp s SER 484 N -1.12 0.82 -0.13 1.48 0.01 -0.23 -0.85 113.70 113.68 3kdp s SER 484 Ca -0.11 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3kdp s SER 484 Cb -0.04 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 3kdp s SER 484 CO 0.05 -0.06 -0.01 -0.63 0.41 0.00 0.00 173.24 173.01 3kdp s ILE 485 N -0.75 4.18 0.05 1.44 1.01 -0.73 -0.98 121.20 125.42 3kdp s ILE 485 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3kdp s ILE 485 Cb -0.06 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3kdp s ILE 485 CO 0.00 0.53 -0.12 -1.00 0.00 0.00 0.00 174.94 174.35 3kdp s HIS 486 N -0.13 1.08 -0.89 3.97 3.76 1.00 -1.49 115.29 122.59 3kdp s HIS 486 Ca 0.04 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.31 3kdp s HIS 486 Cb -0.13 -0.63 0.04 0.00 1.11 0.00 0.00 32.58 32.97 3kdp s HIS 486 CO 0.02 0.02 1.38 0.15 -0.85 0.00 0.00 174.74 175.46 3kdp s LYS 487 N -1.33 3.39 0.31 1.40 1.02 -0.22 -0.08 119.74 124.23 3kdp s LYS 487 Ca -0.01 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 3kdp s LYS 487 Cb -0.08 -4.81 -0.13 0.00 -0.52 0.00 0.00 37.83 32.28 3kdp s LYS 487 CO 0.01 -2.20 1.10 -1.71 -0.92 0.00 0.00 175.35 171.64 3kdp n ASN 488 N 9.19 1.78 -0.24 2.83 2.85 -1.26 -3.93 115.26 126.48 3kdp n ASN 488 Ca 0.19 1.19 0.02 0.00 -0.11 0.00 0.00 54.58 55.87 3kdp n ASN 488 Cb 0.50 -1.35 0.05 0.00 1.24 0.00 0.00 39.78 40.22 3kdp n ASN 488 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kdp n PRO 489 N 0.65 1.89 -1.00 1.20 -0.05 -1.26 -4.18 135.00 132.24 3kdp n PRO 489 Ca 0.08 -1.42 -0.36 0.00 -0.05 0.00 0.00 63.50 61.75 3kdp n PRO 489 Cb 0.33 -1.10 0.06 0.00 -0.05 0.00 0.00 33.50 32.74 3kdp n PRO 489 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3kdp n ASN 490 N 0.03 -4.19 0.00 3.54 4.13 -1.26 -4.77 115.26 112.75 3kdp n ASN 490 Ca 0.04 0.32 0.10 0.00 1.68 0.00 0.00 54.58 56.72 3kdp n ASN 490 Cb 0.26 -0.94 0.60 0.00 -1.54 0.00 0.00 39.78 38.15 3kdp n ASN 490 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 3kdp n THR 491 N -2.67 0.03 -2.65 3.41 5.66 -1.26 -4.27 114.28 112.52 3kdp n THR 491 Ca 0.03 0.01 -0.04 0.00 -3.05 0.00 0.00 64.05 61.00 3kdp n THR 491 Cb 0.54 -0.69 0.06 0.00 -1.55 0.00 0.00 70.33 68.69 3kdp n THR 491 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kdp n ALA 492 N -1.02 -4.05 0.00 1.79 0.00 -1.26 -5.07 120.51 110.90 3kdp n ALA 492 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kdp n ALA 492 Cb 0.08 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 15.91 3kdp n ALA 492 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kdp n GLU 493 N 1.89 0.00 0.00 0.00 2.13 -1.26 -5.05 120.64 118.35 3kdp n GLU 493 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3kdp n GLU 493 Cb 0.70 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.41 3kdp n GLU 493 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kdp n PRO 494 N 0.00 0.00 -2.12 5.31 -0.02 -1.26 -4.88 135.00 132.03 3kdp n PRO 494 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3kdp n PRO 494 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3kdp n PRO 494 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kdp n ARG 495 N -1.41 -2.33 0.00 -0.52 1.74 -1.26 -4.73 116.66 108.15 3kdp n ARG 495 Ca -0.00 1.68 0.00 0.00 -0.77 0.00 0.00 57.85 58.76 3kdp n ARG 495 Cb 0.09 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 3kdp n ARG 495 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kdp n HIS 496 N 1.91 0.00 -4.06 -1.55 8.25 -1.20 -4.79 115.22 113.78 3kdp n HIS 496 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3kdp n HIS 496 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 3kdp n HIS 496 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kdp s LEU 497 N 0.00 3.51 -0.20 2.41 2.96 0.89 -2.13 118.68 126.11 3kdp s LEU 497 Ca 0.00 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3kdp s LEU 497 Cb 0.00 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3kdp s LEU 497 CO 0.00 0.11 0.03 -0.22 -1.32 0.00 0.00 176.35 174.95 3kdp s LEU 498 N 0.75 3.47 -0.06 -0.68 2.96 -0.44 -0.00 118.68 124.68 3kdp s LEU 498 Ca 0.02 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3kdp s LEU 498 Cb -0.14 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.67 3kdp s LEU 498 CO 0.02 0.09 -0.16 0.68 -1.32 0.00 0.00 176.35 175.65 3kdp s VAL 499 N 0.89 1.39 0.02 1.68 -7.23 -0.16 0.29 120.40 117.28 3kdp s VAL 499 Ca 0.02 -0.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3kdp s VAL 499 Cb -0.14 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 3kdp s VAL 499 CO 0.02 0.41 -0.02 0.00 -0.31 0.00 0.00 175.10 175.20 3kdp s MET 500 N 0.28 0.32 0.39 4.82 0.23 0.21 -1.06 119.30 124.49 3kdp s MET 500 Ca -0.09 -0.58 0.04 0.00 -1.03 0.00 0.00 55.69 54.03 3kdp s MET 500 Cb -0.14 0.12 -0.05 0.00 -1.53 0.00 0.00 34.83 33.23 3kdp s MET 500 CO 0.03 -0.05 0.06 -1.59 -2.03 0.00 0.00 175.02 171.44 3kdp s LYS 501 N -1.42 1.85 0.00 3.16 -2.85 -0.50 -0.38 119.74 119.60 3kdp s LYS 501 Ca -0.16 -2.09 0.00 0.00 -1.00 0.00 0.00 55.97 52.73 3kdp s LYS 501 Cb -0.10 -0.99 0.00 0.00 -2.06 0.00 0.00 37.83 34.68 3kdp s LYS 501 CO -0.01 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.57 3kdp n GLY 502 N -0.87 -1.72 3.33 0.59 0.00 -0.01 -0.80 105.19 105.71 3kdp n GLY 502 Ca -0.06 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3kdp n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp n ALA 503 N 0.00 -2.35 -0.05 4.61 0.00 -0.97 0.07 120.51 121.82 3kdp n ALA 503 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 3kdp n ALA 503 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 3kdp n ALA 503 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kdp h PRO 504 N 0.08 0.00 -1.13 0.00 0.11 -1.87 -3.11 132.00 126.09 3kdp h PRO 504 Ca -0.43 0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.01 3kdp h PRO 504 Cb 1.43 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.50 3kdp h PRO 504 CO 0.44 0.00 0.91 1.05 -0.21 0.00 0.00 178.00 180.19 3kdp h GLU 505 N -0.74 0.00 -0.63 1.05 9.09 -1.96 1.56 114.58 122.95 3kdp h GLU 505 Ca 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.18 3kdp h GLU 505 Cb 0.24 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.20 3kdp h GLU 505 CO 0.00 0.00 0.23 -2.13 0.05 0.00 0.00 179.01 177.16 3kdp n ARG 506 N -3.92 2.92 -0.08 1.06 0.63 -1.26 -4.00 116.66 112.00 3kdp n ARG 506 Ca 0.24 -3.06 0.04 0.00 -0.92 0.00 0.00 57.85 54.15 3kdp n ARG 506 Cb 1.28 -2.07 0.05 0.00 0.45 0.00 0.00 32.46 32.17 3kdp n ARG 506 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3kdp n ILE 507 N -0.61 1.07 -0.12 5.15 3.06 0.53 -4.63 119.36 123.81 3kdp n ILE 507 Ca 0.40 -1.21 -0.16 0.00 -2.50 0.00 0.00 62.75 59.28 3kdp n ILE 507 Cb 1.29 0.30 -0.13 0.00 0.54 0.00 0.00 39.64 41.64 3kdp n ILE 507 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3kdp n LEU 508 N -0.71 2.25 0.00 9.51 4.77 -1.19 -3.99 117.00 127.63 3kdp n LEU 508 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3kdp n LEU 508 Cb 0.47 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3kdp n LEU 508 CO 0.00 0.83 0.12 0.47 -1.33 0.00 0.00 177.39 177.48 3kdp n ASP 509 N -3.15 0.00 -0.27 -1.43 9.92 -1.26 0.19 116.55 120.55 3kdp n ASP 509 Ca -0.42 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 53.87 3kdp n ASP 509 Cb 1.03 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.55 3kdp n ASP 509 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kdp n ARG 510 N -0.70 0.58 -4.11 -1.24 1.74 -1.26 -4.95 116.66 106.72 3kdp n ARG 510 Ca 0.00 -1.40 -0.15 0.00 -0.77 0.00 0.00 57.85 55.53 3kdp n ARG 510 Cb 0.00 -0.81 -0.12 0.00 -1.02 0.00 0.00 32.46 30.51 3kdp n ARG 510 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdp n SER 512 N 1.40 0.25 -3.86 0.00 3.41 -0.93 -4.63 113.62 109.26 3kdp n SER 512 Ca -0.22 -1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 57.28 3kdp n SER 512 Cb 0.54 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 3kdp n SER 512 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kdp s SER 513 N -0.02 0.08 -0.32 4.04 1.04 -1.23 -1.47 113.70 115.82 3kdp s SER 513 Ca 0.00 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 3kdp s SER 513 Cb 0.00 0.31 0.11 0.00 0.10 0.00 0.00 66.02 66.54 3kdp s SER 513 CO 0.00 -0.63 0.14 -0.63 0.98 0.00 0.00 173.24 173.10 3kdp s ILE 514 N -3.16 0.48 0.04 -1.02 1.01 -1.08 0.91 121.20 118.37 3kdp s ILE 514 Ca -0.00 -1.33 -0.39 0.00 0.00 0.00 0.00 60.65 58.93 3kdp s ILE 514 Cb 0.02 -1.37 -0.19 0.00 0.01 0.00 0.00 42.46 40.93 3kdp s ILE 514 CO -0.07 -0.76 1.17 -0.11 0.00 0.00 0.00 174.94 175.16 3kdp n LEU 515 N 4.75 0.62 -3.61 2.97 0.00 -1.07 -3.85 117.00 116.81 3kdp n LEU 515 Ca -0.00 1.14 -0.26 0.00 0.00 0.00 0.00 56.01 56.89 3kdp n LEU 515 Cb 0.41 -1.02 -0.17 0.00 0.00 0.00 0.00 43.42 42.63 3kdp n LEU 515 CO 0.10 -1.58 -0.33 -0.63 0.00 0.00 0.00 177.39 174.95 3kdp s ILE 516 N 0.18 -0.07 0.00 1.96 1.01 -0.95 -4.54 121.20 118.79 3kdp s ILE 516 Ca 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.31 3kdp s ILE 516 Cb -1.15 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3kdp s ILE 516 CO 0.53 -0.31 0.00 1.41 0.00 0.00 0.00 174.94 176.57 3kdp n HIS 517 N 5.27 0.00 0.00 3.97 8.25 -1.26 -1.93 115.22 129.52 3kdp n HIS 517 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3kdp n HIS 517 Cb 0.48 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3kdp n HIS 517 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdp n GLY 518 N -1.60 0.14 3.12 -1.41 0.00 -1.26 -3.20 105.19 100.98 3kdp n GLY 518 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kdp n GLY 518 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdp s LYS 519 N 0.00 2.95 0.92 1.61 -0.14 -0.81 -4.97 119.74 119.29 3kdp s LYS 519 Ca 0.00 -0.86 -0.13 0.00 -1.36 0.00 0.00 55.97 53.62 3kdp s LYS 519 Cb 0.00 -2.60 0.04 0.00 -1.68 0.00 0.00 37.83 33.59 3kdp s LYS 519 CO 0.00 -0.23 0.49 0.39 -0.76 0.00 0.00 175.35 175.24 3kdp n GLU 520 N 4.61 -0.21 -3.92 1.68 1.02 -1.26 -2.24 120.64 120.32 3kdp n GLU 520 Ca -0.21 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 3kdp n GLU 520 Cb 0.50 -1.91 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 3kdp n GLU 520 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kdp s GLN 521 N -3.61 2.03 0.32 3.49 -0.21 -1.25 -4.86 119.66 115.58 3kdp s GLN 521 Ca 0.59 -1.48 -0.27 0.00 0.02 0.00 0.00 55.36 54.23 3kdp s GLN 521 Cb -0.23 0.55 -0.09 0.00 1.00 0.00 0.00 33.01 34.24 3kdp s GLN 521 CO 0.65 -0.91 1.00 -1.25 -2.12 0.00 0.00 175.29 172.66 3kdp s PRO 522 N -2.85 4.52 -1.47 2.91 0.04 -1.26 -2.63 135.00 134.26 3kdp s PRO 522 Ca 0.20 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 3kdp s PRO 522 Cb -0.03 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.67 3kdp s PRO 522 CO 0.14 0.19 2.46 -0.11 0.04 0.00 0.00 177.00 179.72 3kdp n LEU 523 N 0.62 7.70 0.00 -3.56 0.00 -0.54 -4.58 117.00 116.64 3kdp n LEU 523 Ca 0.02 -4.42 0.00 0.00 0.00 0.00 0.00 56.01 51.61 3kdp n LEU 523 Cb 0.49 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 42.36 3kdp n LEU 523 CO 0.47 1.64 0.00 -0.90 0.00 0.00 0.00 177.39 178.60 3kdp n ASP 524 N 4.18 0.00 -0.04 1.96 5.75 -1.26 -4.78 116.55 122.36 3kdp n ASP 524 Ca 0.61 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 55.41 3kdp n ASP 524 Cb 0.31 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.24 3kdp n ASP 524 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kdp n GLU 525 N 0.00 0.67 0.16 0.11 -0.58 -1.26 -3.47 120.64 116.27 3kdp n GLU 525 Ca 0.00 -0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.52 3kdp n GLU 525 Cb 0.00 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.23 3kdp n GLU 525 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3kdp h GLU 526 N 0.00 -0.72 -0.23 3.49 4.57 -1.98 -2.57 114.58 117.14 3kdp h GLU 526 Ca -0.24 0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.79 3kdp h GLU 526 Cb 1.57 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.33 3kdp h GLU 526 CO 0.02 -0.48 -0.61 -0.07 -1.18 0.00 0.00 179.01 176.68 3kdp h LEU 527 N -0.75 0.91 -0.93 1.64 3.38 -1.93 -2.47 115.31 115.16 3kdp h LEU 527 Ca -0.00 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.53 3kdp h LEU 527 Cb 0.73 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3kdp h LEU 527 CO -0.19 1.31 0.58 0.50 0.09 0.00 0.00 178.44 180.73 3kdp h LYS 528 N 0.59 0.98 -0.20 1.13 3.64 -1.57 1.17 116.57 122.31 3kdp h LYS 528 Ca -0.01 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 3kdp h LYS 528 Cb 1.22 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3kdp h LYS 528 CO 0.13 0.65 -0.62 -0.44 -2.27 0.00 0.00 179.45 176.89 3kdp h ASP 529 N 1.01 0.79 1.74 4.20 5.19 -1.40 -2.63 116.42 125.31 3kdp h ASP 529 Ca 0.43 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3kdp h ASP 529 Cb 0.29 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3kdp h ASP 529 CO -0.21 1.22 -0.12 0.00 -3.12 0.00 0.00 179.24 177.01 3kdp h ALA 530 N 0.79 0.94 -0.03 3.45 0.00 -0.72 0.28 119.26 123.96 3kdp h ALA 530 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3kdp h ALA 530 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3kdp h ALA 530 CO 0.13 0.00 -0.51 0.35 0.00 0.00 0.00 179.25 179.21 3kdp h PHE 531 N 0.00 0.56 0.00 0.00 3.04 0.13 -2.41 116.94 118.27 3kdp h PHE 531 Ca 0.00 -0.29 -0.01 0.00 3.98 0.00 0.00 57.97 61.65 3kdp h PHE 531 Cb 0.93 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.37 3kdp h PHE 531 CO 0.00 1.09 -0.06 1.96 -2.02 0.00 0.00 178.31 179.28 3kdp h GLN 532 N -0.12 0.00 0.00 1.11 1.08 -1.42 -0.38 115.11 115.38 3kdp h GLN 532 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3kdp h GLN 532 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3kdp h GLN 532 CO 0.10 0.06 0.00 -1.71 -0.95 0.00 0.00 178.83 176.33 3kdp n ASN 533 N -3.22 0.41 -0.01 1.46 4.05 0.96 -3.07 115.26 115.84 3kdp n ASN 533 Ca -0.00 0.56 0.01 0.00 0.45 0.00 0.00 54.58 55.60 3kdp n ASN 533 Cb 0.29 -0.66 -0.04 0.00 1.23 0.00 0.00 39.78 40.59 3kdp n ASN 533 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kdp n ALA 534 N -1.65 2.10 0.08 5.20 0.00 -0.78 -3.99 120.51 121.47 3kdp n ALA 534 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.31 3kdp n ALA 534 Cb 0.31 -0.08 0.35 0.00 0.00 0.00 0.00 19.45 20.02 3kdp n ALA 534 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3kdp h TYR 535 N 0.00 0.33 0.11 0.00 3.20 -1.16 0.41 116.97 119.86 3kdp h TYR 535 Ca -0.04 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3kdp h TYR 535 Cb 0.58 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3kdp h TYR 535 CO 0.00 0.44 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.84 3kdp h LEU 536 N 0.30 -0.12 -0.94 2.82 3.38 -1.75 -2.77 115.31 116.22 3kdp h LEU 536 Ca 0.06 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.18 3kdp h LEU 536 Cb 0.41 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.04 3kdp h LEU 536 CO 0.02 0.00 -0.37 1.21 0.09 0.00 0.00 178.44 179.40 3kdp n GLU 537 N -2.90 -0.22 0.10 1.13 2.13 -1.22 -0.41 120.64 119.24 3kdp n GLU 537 Ca -0.02 1.44 -0.12 0.00 0.66 0.00 0.00 57.16 59.12 3kdp n GLU 537 Cb 0.06 -2.14 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 3kdp n GLU 537 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3kdp h LEU 538 N 0.00 -0.39 0.00 4.31 7.12 -1.02 -2.84 115.31 122.50 3kdp h LEU 538 Ca 0.32 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.38 3kdp h LEU 538 Cb 0.56 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 3kdp h LEU 538 CO -0.93 -0.21 -0.08 0.61 -0.13 0.00 0.00 178.44 177.69 3kdp n GLY 539 N -1.27 -1.63 0.00 3.75 0.00 -0.56 -2.09 105.19 103.39 3kdp n GLY 539 Ca -0.07 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3kdp n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdp n GLY 540 N 1.35 -0.34 1.32 -0.02 0.00 0.45 -0.59 105.19 107.36 3kdp n GLY 540 Ca 0.06 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3kdp n GLY 540 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdp n LEU 541 N -1.01 4.29 -2.36 0.99 4.32 -0.89 -4.93 117.00 117.41 3kdp n LEU 541 Ca 0.08 -2.41 -0.13 0.00 -0.02 0.00 0.00 56.01 53.53 3kdp n LEU 541 Cb 0.04 -0.51 0.05 0.00 -1.62 0.00 0.00 43.42 41.38 3kdp n LEU 541 CO 0.06 0.80 0.12 0.61 -1.22 0.00 0.00 177.39 177.76 3kdp n GLY 542 N 0.86 0.04 3.53 -0.72 0.00 0.24 -4.82 105.19 104.32 3kdp n GLY 542 Ca 0.23 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3kdp n GLY 542 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdp s GLU 543 N -5.48 2.48 0.03 1.61 2.02 -1.23 -4.79 118.70 113.34 3kdp s GLU 543 Ca 0.24 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 3kdp s GLU 543 Cb -0.11 -2.42 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 3kdp s GLU 543 CO 0.43 0.61 1.38 0.50 0.02 0.00 0.00 175.26 178.20 3kdp s ARG 544 N -1.07 4.30 -0.09 1.61 3.52 -0.84 -4.64 118.95 121.74 3kdp s ARG 544 Ca 0.14 1.96 0.03 0.00 -0.13 0.00 0.00 55.73 57.73 3kdp s ARG 544 Cb -0.11 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 3kdp s ARG 544 CO 0.04 -0.52 -0.17 0.08 -0.81 0.00 0.00 175.30 173.91 3kdp s VAL 545 N 2.03 2.71 0.25 7.11 1.01 -1.26 -0.93 120.40 131.32 3kdp s VAL 545 Ca 0.63 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.91 3kdp s VAL 545 Cb -0.32 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3kdp s VAL 545 CO 0.27 0.56 -0.14 -0.76 0.00 0.00 0.00 175.10 175.03 3kdp s LEU 546 N -0.06 2.79 -0.12 3.92 1.43 0.29 -4.56 118.68 122.38 3kdp s LEU 546 Ca -0.04 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3kdp s LEU 546 Cb -0.14 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3kdp s LEU 546 CO 0.04 0.05 -0.07 -0.83 0.23 0.00 0.00 176.35 175.77 3kdp s GLY 547 N -3.33 1.66 -0.07 -3.19 0.00 0.11 -2.50 107.32 100.00 3kdp s GLY 547 Ca 0.28 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 44.17 3kdp s GLY 547 CO 0.16 -0.33 -0.18 -1.36 0.00 0.00 0.00 173.10 171.39 3kdp s PHE 548 N -0.09 1.91 0.01 1.90 0.40 -0.81 -0.83 117.98 120.48 3kdp s PHE 548 Ca 0.01 -0.71 -0.19 0.00 -0.60 0.00 0.00 56.93 55.43 3kdp s PHE 548 Cb -0.13 -1.32 0.04 0.00 0.51 0.00 0.00 43.02 42.11 3kdp s PHE 548 CO 0.03 -0.31 0.43 0.00 0.70 0.00 0.00 175.22 176.07 3kdp s HIS 550 N -1.97 1.10 -0.05 0.00 -3.43 0.03 0.65 115.29 111.62 3kdp s HIS 550 Ca -0.08 -1.31 -0.02 0.00 -0.80 0.00 0.00 55.06 52.84 3kdp s HIS 550 Cb -0.02 -0.47 0.04 0.00 -1.43 0.00 0.00 32.58 30.70 3kdp s HIS 550 CO 0.01 -0.71 0.10 -1.17 -2.00 0.00 0.00 174.74 170.98 3kdp s LEU 551 N -3.16 0.69 -0.40 5.38 2.96 0.14 0.16 118.68 124.46 3kdp s LEU 551 Ca 0.37 0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 54.24 3kdp s LEU 551 Cb 0.06 0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.94 3kdp s LEU 551 CO 0.13 -0.16 0.85 -0.36 -1.32 0.00 0.00 176.35 175.49 3kdp s PHE 552 N 1.35 3.04 -0.24 5.38 0.08 -1.26 -1.32 117.98 125.01 3kdp s PHE 552 Ca -0.07 0.52 -0.29 0.00 0.12 0.00 0.00 56.93 57.21 3kdp s PHE 552 Cb -0.12 -3.63 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 3kdp s PHE 552 CO -0.05 -0.88 1.57 -0.51 -0.10 0.00 0.00 175.22 175.26 3kdp s LEU 553 N 3.37 3.87 -0.07 -0.37 1.43 -0.91 -4.86 118.68 121.15 3kdp s LEU 553 Ca 0.34 1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.79 3kdp s LEU 553 Cb -0.12 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 3kdp s LEU 553 CO 0.20 -1.25 0.55 -2.65 0.23 0.00 0.00 176.35 173.43 3kdp n PRO 554 N 7.64 0.00 -0.07 1.29 -0.02 -1.26 -4.81 135.00 137.77 3kdp n PRO 554 Ca 0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 3kdp n PRO 554 Cb 0.45 -0.67 -0.03 0.00 -0.02 0.00 0.00 33.50 33.24 3kdp n PRO 554 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3kdp h ASP 555 N 1.63 0.33 0.00 2.55 1.82 -1.85 -3.15 116.42 117.75 3kdp h ASP 555 Ca -0.22 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 3kdp h ASP 555 Cb 0.63 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.55 3kdp h ASP 555 CO 0.34 0.38 0.00 -0.62 -1.61 0.00 0.00 179.24 177.73 3kdp n GLU 556 N -4.81 0.00 0.12 0.28 4.71 -1.26 -3.04 120.64 116.64 3kdp n GLU 556 Ca -0.03 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 3kdp n GLU 556 Cb 0.11 -1.48 0.02 0.00 -1.01 0.00 0.00 31.44 29.08 3kdp n GLU 556 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3kdp n GLN 557 N -2.04 0.02 -3.43 3.49 6.02 -1.22 -3.52 117.38 116.70 3kdp n GLN 557 Ca 0.00 0.36 -0.10 0.00 -0.01 0.00 0.00 57.00 57.25 3kdp n GLN 557 Cb 0.00 -2.19 -0.09 0.00 1.02 0.00 0.00 30.24 28.98 3kdp n GLN 557 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kdp s PHE 558 N -2.76 -0.77 0.33 1.08 0.08 -1.17 -5.05 117.98 109.71 3kdp s PHE 558 Ca -0.00 0.94 0.05 0.00 0.12 0.00 0.00 56.93 58.04 3kdp s PHE 558 Cb 0.00 0.05 0.06 0.00 -0.57 0.00 0.00 43.02 42.56 3kdp s PHE 558 CO 0.01 -0.65 0.46 -0.35 -0.10 0.00 0.00 175.22 174.59 3kdp n PRO 559 N 5.37 0.71 -2.10 0.24 -0.05 -1.23 -4.73 135.00 133.20 3kdp n PRO 559 Ca -0.05 -1.70 -0.33 0.00 -0.05 0.00 0.00 63.50 61.37 3kdp n PRO 559 Cb 0.50 -0.16 -0.04 0.00 -0.05 0.00 0.00 33.50 33.74 3kdp n PRO 559 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 3kdp s GLU 560 N -3.51 2.68 0.00 0.54 2.12 -1.26 -1.87 118.70 117.40 3kdp s GLU 560 Ca 0.34 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.69 3kdp s GLU 560 Cb -0.03 -4.77 0.00 0.00 0.26 0.00 0.00 34.13 29.60 3kdp s GLU 560 CO 0.22 -2.98 0.00 0.41 -0.54 0.00 0.00 175.26 172.37 3kdp n GLY 561 N 6.32 0.63 2.82 -1.50 0.00 -1.26 -5.12 105.19 107.07 3kdp n GLY 561 Ca 0.30 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.84 3kdp n GLY 561 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kdp n PHE 562 N 0.00 0.56 -3.01 1.61 -0.00 -0.78 -4.81 117.46 111.03 3kdp n PHE 562 Ca 0.00 0.85 -0.44 0.00 -0.00 0.00 0.00 57.45 57.86 3kdp n PHE 562 Cb 0.00 -1.68 -0.00 0.00 -0.00 0.00 0.00 39.48 37.80 3kdp n PHE 562 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3kdp s GLN 563 N 0.12 4.11 0.53 -4.13 -1.52 -1.26 -5.01 119.66 112.50 3kdp s GLN 563 Ca 0.74 -2.68 -0.21 0.00 -1.95 0.00 0.00 55.36 51.25 3kdp s GLN 563 Cb -1.03 -4.99 -0.07 0.00 -0.22 0.00 0.00 33.01 26.71 3kdp s GLN 563 CO 0.47 -1.69 1.09 1.19 -0.25 0.00 0.00 175.29 176.11 3kdp n PHE 564 N 5.20 1.37 -4.39 0.91 3.01 -1.26 -5.00 117.46 117.29 3kdp n PHE 564 Ca 0.35 0.47 -0.24 0.00 1.01 0.00 0.00 57.45 59.04 3kdp n PHE 564 Cb 0.42 -2.23 -0.11 0.00 -0.01 0.00 0.00 39.48 37.55 3kdp n PHE 564 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3kdp s ASP 565 N -0.98 3.09 0.00 4.37 2.15 -1.26 -5.04 116.67 119.01 3kdp s ASP 565 Ca 0.70 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.78 3kdp s ASP 565 Cb -0.46 -0.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.95 3kdp s ASP 565 CO 0.51 0.03 0.66 0.35 -0.17 0.00 0.00 175.17 176.54 3kdp n THR 566 N 0.10 0.36 0.00 1.71 -2.24 -1.26 -4.38 114.28 108.57 3kdp n THR 566 Ca -0.11 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3kdp n THR 566 Cb 0.57 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3kdp n THR 566 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kdp n ASP 567 N -0.18 0.00 -4.67 3.42 8.00 -1.26 -4.74 116.55 117.12 3kdp n ASP 567 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3kdp n ASP 567 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3kdp n ASP 567 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3kdp s ASP 568 N -1.00 6.45 1.35 -2.24 1.01 -1.26 -4.97 116.67 116.01 3kdp s ASP 568 Ca 0.00 2.68 -0.20 0.00 0.71 0.00 0.00 52.55 55.74 3kdp s ASP 568 Cb 0.00 -2.54 0.31 0.00 1.01 0.00 0.00 42.92 41.70 3kdp s ASP 568 CO 0.00 -1.03 0.71 0.52 0.21 0.00 0.00 175.17 175.58 3kdp n VAL 569 N 5.25 0.00 0.00 -1.27 0.31 -1.26 -4.53 118.33 116.83 3kdp n VAL 569 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3kdp n VAL 569 Cb 0.40 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3kdp n VAL 569 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3kdp n ASN 570 N -4.76 0.00 -4.45 4.52 2.85 -1.26 -4.86 115.26 107.30 3kdp n ASN 570 Ca 0.11 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.36 3kdp n ASN 570 Cb 0.49 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.41 3kdp n ASN 570 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 3kdp s PHE 571 N -0.36 2.08 0.78 1.20 -0.12 -1.26 -4.96 117.98 115.34 3kdp s PHE 571 Ca 0.00 -0.57 -0.14 0.00 -0.05 0.00 0.00 56.93 56.17 3kdp s PHE 571 Cb 0.00 -1.11 0.06 0.00 -0.63 0.00 0.00 43.02 41.34 3kdp s PHE 571 CO 0.00 0.44 1.18 -2.30 -0.05 0.00 0.00 175.22 174.49 3kdp n PRO 572 N -0.61 0.35 -0.49 1.99 -0.02 -1.26 -4.96 135.00 130.01 3kdp n PRO 572 Ca -0.06 0.19 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3kdp n PRO 572 Cb 0.62 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3kdp n PRO 572 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kdp n LEU 573 N -2.88 0.47 -4.25 2.45 4.77 -1.26 -5.08 117.00 111.21 3kdp n LEU 573 Ca 0.14 -1.43 -0.14 0.00 -0.03 0.00 0.00 56.01 54.55 3kdp n LEU 573 Cb 0.50 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3kdp n LEU 573 CO 0.48 0.35 -0.34 -1.81 -1.33 0.00 0.00 177.39 174.74 3kdp s ASP 574 N -1.38 1.37 -0.56 -1.43 1.11 -1.26 -4.74 116.67 109.78 3kdp s ASP 574 Ca 0.07 -1.15 0.00 0.00 0.18 0.00 0.00 52.55 51.65 3kdp s ASP 574 Cb 0.07 0.09 0.00 0.00 1.07 0.00 0.00 42.92 44.15 3kdp s ASP 574 CO -0.01 -0.53 0.00 0.59 1.18 0.00 0.00 175.17 176.41 3kdp n ASN 575 N -0.25 -5.55 -4.47 0.27 3.02 -1.23 -4.92 115.26 102.12 3kdp n ASN 575 Ca -0.07 0.13 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 3kdp n ASN 575 Cb 0.63 -3.51 0.08 0.00 -0.61 0.00 0.00 39.78 36.36 3kdp n ASN 575 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kdp n LEU 576 N -0.60 0.98 -4.82 3.41 4.77 -1.19 -4.19 117.00 115.37 3kdp n LEU 576 Ca -0.05 0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 56.14 3kdp n LEU 576 Cb 0.49 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 3kdp n LEU 576 CO 0.08 -3.07 0.53 0.00 -1.33 0.00 0.00 177.39 173.61 3kdp s PHE 578 N -1.80 3.27 -0.11 0.00 2.19 0.26 -0.79 117.98 121.00 3kdp s PHE 578 Ca 0.52 -1.17 -0.20 0.00 0.33 0.00 0.00 56.93 56.41 3kdp s PHE 578 Cb -0.14 -2.63 -0.27 0.00 -1.31 0.00 0.00 43.02 38.68 3kdp s PHE 578 CO 0.19 -0.73 0.61 0.28 1.83 0.00 0.00 175.22 177.41 3kdp h VAL 579 N 5.96 1.23 0.00 3.12 2.07 -1.65 -2.83 116.25 124.14 3kdp h VAL 579 Ca -0.25 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3kdp h VAL 579 Cb 1.10 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 3kdp h VAL 579 CO 0.70 0.64 0.00 0.61 0.02 0.00 0.00 177.57 179.54 3kdp n GLY 580 N 1.66 1.69 3.82 2.17 0.00 -1.03 -4.58 105.19 108.92 3kdp n GLY 580 Ca -0.21 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3kdp n GLY 580 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdp s LEU 581 N 0.00 4.50 0.04 0.99 1.43 -1.25 -1.93 118.68 122.46 3kdp s LEU 581 Ca 0.00 1.09 0.06 0.00 -1.03 0.00 0.00 54.13 54.26 3kdp s LEU 581 Cb 0.00 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 3kdp s LEU 581 CO 0.00 0.30 -0.18 -0.63 0.23 0.00 0.00 176.35 176.08 3kdp s ILE 582 N -1.09 1.41 -0.02 -0.59 1.01 -1.04 0.04 121.20 120.92 3kdp s ILE 582 Ca 0.26 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3kdp s ILE 582 Cb -0.18 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.06 3kdp s ILE 582 CO 0.16 0.10 0.04 -0.94 0.00 0.00 0.00 174.94 174.30 3kdp s SER 583 N -1.19 -0.00 0.44 3.58 1.04 -0.98 -0.55 113.70 116.04 3kdp s SER 583 Ca 0.05 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.62 3kdp s SER 583 Cb -0.08 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 3kdp s SER 583 CO 0.02 -0.07 0.11 0.00 0.98 0.00 0.00 173.24 174.28 3kdp s MET 584 N 0.52 2.13 0.11 4.02 0.23 -0.11 0.29 119.30 126.49 3kdp s MET 584 Ca -0.04 -2.04 -0.25 0.00 -1.03 0.00 0.00 55.69 52.33 3kdp s MET 584 Cb -0.06 -1.80 0.08 0.00 -1.53 0.00 0.00 34.83 31.51 3kdp s MET 584 CO -0.02 -0.17 0.77 -1.50 -2.03 0.00 0.00 175.02 172.08 3kdp s ILE 585 N -2.69 0.00 -0.47 3.16 2.07 -0.66 -1.99 121.20 120.61 3kdp s ILE 585 Ca 0.33 -0.20 -0.18 0.00 -1.41 0.00 0.00 60.65 59.20 3kdp s ILE 585 Cb 0.05 -1.24 0.05 0.00 0.13 0.00 0.00 42.46 41.46 3kdp s ILE 585 CO 0.18 0.00 0.51 -0.62 -1.91 0.00 0.00 174.94 173.10 3kdp s ASP 586 N -2.69 6.19 0.28 4.50 2.15 -1.26 -0.54 116.67 125.30 3kdp s ASP 586 Ca 0.05 -0.97 -0.03 0.00 0.43 0.00 0.00 52.55 52.03 3kdp s ASP 586 Cb -0.02 -2.24 -0.05 0.00 -0.30 0.00 0.00 42.92 40.32 3kdp s ASP 586 CO -0.07 -0.74 0.51 -2.16 -0.17 0.00 0.00 175.17 172.54 3kdp s PRO 587 N 2.21 3.57 0.89 4.34 0.05 -1.26 -4.91 135.00 139.89 3kdp s PRO 587 Ca 0.11 -0.15 -0.10 0.00 0.05 0.00 0.00 61.00 60.90 3kdp s PRO 587 Cb -0.20 -2.70 0.13 0.00 0.05 0.00 0.00 34.50 31.78 3kdp s PRO 587 CO 0.11 0.25 1.15 -2.14 0.05 0.00 0.00 177.00 176.41 3kdp s PRO 588 N -3.64 1.17 0.70 0.56 0.02 -1.26 -2.15 135.00 130.40 3kdp s PRO 588 Ca 0.42 1.53 -0.10 0.00 0.02 0.00 0.00 61.00 62.86 3kdp s PRO 588 Cb -0.11 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.69 3kdp s PRO 588 CO 0.31 -2.52 1.07 1.03 -0.33 0.00 0.00 177.00 176.56 3kdp s ARG 589 N -4.64 2.74 0.11 5.54 0.52 -1.11 -4.59 118.95 117.52 3kdp s ARG 589 Ca 0.67 0.31 -0.26 0.00 -0.52 0.00 0.00 55.73 55.93 3kdp s ARG 589 Cb -0.23 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.11 3kdp s ARG 589 CO 0.57 -1.05 1.65 0.00 0.02 0.00 0.00 175.30 176.49 3kdp h ALA 590 N -0.62 -0.37 0.00 2.13 0.00 -1.92 -2.82 119.26 115.66 3kdp h ALA 590 Ca -0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3kdp h ALA 590 Cb 1.26 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3kdp h ALA 590 CO 0.63 -0.76 -0.38 0.00 0.00 0.00 0.00 179.25 178.74 3kdp h ALA 591 N 0.39 1.29 -0.85 0.00 0.00 -1.95 -3.33 119.26 114.81 3kdp h ALA 591 Ca 0.04 -0.35 0.20 0.00 0.00 0.00 0.00 54.91 54.80 3kdp h ALA 591 Cb 0.45 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 3kdp h ALA 591 CO -0.16 0.48 0.34 0.28 0.00 0.00 0.00 179.25 180.20 3kdp h VAL 592 N 0.00 0.52 0.21 0.00 2.07 -1.80 -0.45 116.25 116.80 3kdp h VAL 592 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3kdp h VAL 592 Cb 0.71 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kdp h VAL 592 CO 0.05 0.07 -0.10 -0.65 0.02 0.00 0.00 177.57 176.96 3kdp h PRO 593 N 0.40 -0.28 -0.95 1.57 0.11 -1.76 -2.48 132.00 128.61 3kdp h PRO 593 Ca 0.51 0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.83 3kdp h PRO 593 Cb 0.92 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.98 3kdp h PRO 593 CO -0.50 0.05 0.53 0.22 -0.21 0.00 0.00 178.00 178.09 3kdp h ASP 594 N -0.97 0.64 -0.67 -2.05 1.82 -1.76 -1.67 116.42 111.77 3kdp h ASP 594 Ca -0.03 0.11 -0.29 0.00 -0.39 0.00 0.00 57.03 56.43 3kdp h ASP 594 Cb 0.46 0.01 -0.18 0.00 0.68 0.00 0.00 39.33 40.30 3kdp h ASP 594 CO 0.05 0.20 0.37 0.00 -1.61 0.00 0.00 179.24 178.25 3kdp n ALA 595 N -2.37 4.51 -0.01 -0.78 0.00 -0.19 -3.01 120.51 118.65 3kdp n ALA 595 Ca 0.22 -1.98 -0.02 0.00 0.00 0.00 0.00 53.44 51.66 3kdp n ALA 595 Cb 0.58 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3kdp n ALA 595 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kdp n VAL 596 N -0.44 0.16 0.37 0.00 0.31 -0.64 -4.48 118.33 113.61 3kdp n VAL 596 Ca 0.39 -0.07 0.14 0.00 -0.01 0.00 0.00 64.34 64.79 3kdp n VAL 596 Cb 1.28 -0.69 0.53 0.00 -0.91 0.00 0.00 33.84 34.05 3kdp n VAL 596 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kdp h GLY 597 N 0.28 0.00 0.77 2.92 0.00 -1.55 -2.33 103.07 103.16 3kdp h GLY 597 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3kdp h GLY 597 CO -0.01 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.94 3kdp h LYS 598 N 0.00 -0.25 0.00 4.80 1.79 -1.76 -2.83 116.57 118.32 3kdp h LYS 598 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3kdp h LYS 598 Cb 0.48 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3kdp h LYS 598 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 3kdp n ARG 600 N -0.54 1.25 0.28 0.00 1.74 -1.08 -0.52 116.66 117.79 3kdp n ARG 600 Ca 0.00 -0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.24 3kdp n ARG 600 Cb 0.00 -1.01 0.84 0.00 -1.02 0.00 0.00 32.46 31.28 3kdp n ARG 600 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3kdp h SER 601 N 0.00 0.00 0.74 0.55 0.02 -0.94 -0.77 113.55 113.15 3kdp h SER 601 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kdp h SER 601 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3kdp h SER 601 CO 0.00 0.07 -0.53 0.00 -1.14 0.00 0.00 176.83 175.23 3kdp n ALA 602 N -2.22 3.12 -1.24 3.77 0.00 -1.03 -4.02 120.51 118.89 3kdp n ALA 602 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 3kdp n ALA 602 Cb 0.19 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 3kdp n ALA 602 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdp n GLY 603 N 1.41 0.48 3.83 0.00 0.00 -0.29 -3.94 105.19 106.68 3kdp n GLY 603 Ca 0.04 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 3kdp n GLY 603 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdp s ILE 604 N -2.08 4.61 -0.10 -0.61 1.01 0.32 -4.71 121.20 119.64 3kdp s ILE 604 Ca 0.00 1.15 -0.18 0.00 0.00 0.00 0.00 60.65 61.62 3kdp s ILE 604 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3kdp s ILE 604 CO 0.00 0.02 0.46 -0.75 0.00 0.00 0.00 174.94 174.67 3kdp s LYS 605 N -2.46 4.28 -0.05 2.79 2.20 -0.06 -4.46 119.74 121.98 3kdp s LYS 605 Ca 0.49 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 3kdp s LYS 605 Cb -0.14 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3kdp s LYS 605 CO 0.19 0.25 0.04 0.14 -0.36 0.00 0.00 175.35 175.61 3kdp s VAL 606 N 0.33 4.57 -0.02 4.02 -7.23 -1.26 -0.37 120.40 120.44 3kdp s VAL 606 Ca 0.25 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 3kdp s VAL 606 Cb -0.15 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.80 3kdp s VAL 606 CO 0.11 0.48 0.02 -0.63 -0.31 0.00 0.00 175.10 174.77 3kdp s ILE 607 N -1.04 0.02 -0.07 -0.62 1.01 -0.37 -4.48 121.20 115.65 3kdp s ILE 607 Ca 0.18 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 3kdp s ILE 607 Cb -0.12 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 3kdp s ILE 607 CO 0.08 0.09 0.82 -0.32 0.00 0.00 0.00 174.94 175.61 3kdp s MET 608 N 0.88 4.44 -0.29 2.79 -2.45 -1.10 -1.88 119.30 121.69 3kdp s MET 608 Ca -0.08 1.08 0.00 0.00 -1.25 0.00 0.00 55.69 55.44 3kdp s MET 608 Cb -0.11 -3.48 0.09 0.00 1.25 0.00 0.00 34.83 32.57 3kdp s MET 608 CO -0.02 -0.07 0.05 0.08 1.05 0.00 0.00 175.02 176.11 3kdp s VAL 609 N 1.20 1.26 -0.04 10.11 1.01 -0.78 -1.46 120.40 131.70 3kdp s VAL 609 Ca 0.42 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3kdp s VAL 609 Cb -0.18 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3kdp s VAL 609 CO 0.20 -0.50 0.10 0.28 0.00 0.00 0.00 175.10 175.17 3kdp s THR 610 N 1.45 -0.00 -0.44 3.92 -1.32 -0.81 -3.37 115.64 115.06 3kdp s THR 610 Ca 0.06 0.02 0.06 0.00 -1.21 0.00 0.00 61.69 60.62 3kdp s THR 610 Cb -0.18 -0.14 0.48 0.00 -1.51 0.00 0.00 72.50 71.14 3kdp s THR 610 CO -0.16 0.01 1.39 0.61 -2.21 0.00 0.00 174.62 174.25 3kdp n GLY 611 N 3.14 2.84 0.00 6.08 0.00 -1.26 0.06 105.19 116.05 3kdp n GLY 611 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kdp n GLY 611 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kdp n ASP 612 N 0.05 0.00 -4.92 1.61 4.64 -1.26 -4.41 116.55 112.27 3kdp n ASP 612 Ca 0.25 -0.77 -0.31 0.00 -1.38 0.00 0.00 54.79 52.57 3kdp n ASP 612 Cb 0.99 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 41.02 3kdp n ASP 612 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 3kdp s HIS 613 N 0.26 3.52 0.62 -0.67 3.76 -1.26 -0.36 115.29 121.16 3kdp s HIS 613 Ca 0.00 0.30 0.34 0.00 -0.15 0.00 0.00 55.06 55.55 3kdp s HIS 613 Cb 0.00 -1.79 1.94 0.00 1.11 0.00 0.00 32.58 33.83 3kdp s HIS 613 CO 0.00 0.58 2.22 -1.35 -0.85 0.00 0.00 174.74 175.34 3kdp h PRO 614 N 3.17 0.00 0.21 8.40 0.11 -1.96 -1.84 132.00 140.08 3kdp h PRO 614 Ca -0.46 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.37 3kdp h PRO 614 Cb 1.16 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.31 3kdp h PRO 614 CO 0.75 0.00 -1.25 0.82 -0.21 0.00 0.00 178.00 178.10 3kdp h ILE 615 N 0.00 1.34 0.35 4.15 1.08 -2.00 -2.44 117.51 120.00 3kdp h ILE 615 Ca 0.02 -2.62 -0.02 0.00 -0.39 0.00 0.00 64.86 61.85 3kdp h ILE 615 Cb 0.20 3.08 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 3kdp h ILE 615 CO -0.00 0.78 -0.17 0.74 -0.69 0.00 0.00 178.15 178.80 3kdp h THR 616 N -0.06 0.00 0.00 -0.27 2.02 -1.79 -3.18 112.91 109.63 3kdp h THR 616 Ca -0.22 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3kdp h THR 616 Cb 1.97 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3kdp h THR 616 CO 0.22 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.11 3kdp n ALA 617 N -2.32 0.00 0.06 6.16 0.00 -0.72 0.15 120.51 123.84 3kdp n ALA 617 Ca -0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.59 3kdp n ALA 617 Cb 0.19 0.08 0.73 0.00 0.00 0.00 0.00 19.45 20.45 3kdp n ALA 617 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kdp h LYS 618 N 0.00 0.00 0.22 0.00 3.64 -1.59 0.93 116.57 119.76 3kdp h LYS 618 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 3kdp h LYS 618 Cb 0.00 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3kdp h LYS 618 CO 0.00 0.00 -1.41 0.00 -2.27 0.00 0.00 179.45 175.77 3kdp h ALA 619 N 1.47 -0.09 -0.08 5.00 0.00 0.14 -2.54 119.26 123.16 3kdp h ALA 619 Ca 0.22 -0.87 -0.24 0.00 0.00 0.00 0.00 54.91 54.03 3kdp h ALA 619 Cb 1.19 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.12 3kdp h ALA 619 CO -0.00 0.78 -0.89 0.82 0.00 0.00 0.00 179.25 179.95 3kdp h ILE 620 N 0.13 1.29 -0.40 0.00 1.08 0.12 -2.80 117.51 116.92 3kdp h ILE 620 Ca -0.22 -2.11 0.05 0.00 -0.39 0.00 0.00 64.86 62.18 3kdp h ILE 620 Cb 2.12 2.16 -0.07 0.00 -3.07 0.00 0.00 36.82 37.96 3kdp h ILE 620 CO 0.26 0.66 -0.48 0.00 -0.69 0.00 0.00 178.15 177.90 3kdp h ALA 621 N 0.52 -0.69 -0.02 1.87 0.00 0.73 0.12 119.26 121.78 3kdp h ALA 621 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kdp h ALA 621 Cb 1.53 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.41 3kdp h ALA 621 CO 0.18 -0.93 0.07 0.87 0.00 0.00 0.00 179.25 179.44 3kdp h LYS 622 N -0.31 0.00 0.02 0.00 1.57 -1.47 -1.05 116.57 115.34 3kdp h LYS 622 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kdp h LYS 622 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3kdp h LYS 622 CO -0.54 0.00 -0.01 0.78 -0.57 0.00 0.00 179.45 179.11 3kdp h GLY 623 N 0.00 -0.03 1.06 3.86 0.00 -0.52 -3.31 103.07 104.12 3kdp h GLY 623 Ca 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3kdp h GLY 623 CO -0.00 -0.01 -0.29 -0.39 0.00 0.00 0.00 176.54 175.85 3kdp h VAL 624 N -0.92 1.28 0.00 4.60 -1.51 -1.27 -3.47 116.25 114.96 3kdp h VAL 624 Ca -0.00 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 3kdp h VAL 624 Cb 0.73 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3kdp h VAL 624 CO 0.01 0.48 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 3kdp n GLY 625 N 0.06 0.65 0.20 5.19 0.00 -0.47 -4.34 105.19 106.48 3kdp n GLY 625 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.14 3kdp n GLY 625 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kdp h ILE 626 N 0.00 0.00 -3.34 -0.61 2.04 -1.65 -3.37 117.51 110.58 3kdp h ILE 626 Ca 0.00 -0.32 -0.62 0.00 1.00 0.00 0.00 64.86 64.93 3kdp h ILE 626 Cb 0.00 1.16 -0.40 0.00 -0.74 0.00 0.00 36.82 36.84 3kdp h ILE 626 CO 0.00 0.00 -0.74 -0.63 0.00 0.00 0.00 178.15 176.78 3kdp s ILE 627 N -3.52 1.52 0.55 -0.67 1.01 -1.23 -4.57 121.20 114.30 3kdp s ILE 627 Ca 0.02 -1.95 -0.17 0.00 0.00 0.00 0.00 60.65 58.56 3kdp s ILE 627 Cb 0.09 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 3kdp s ILE 627 CO 0.44 -0.68 1.04 -0.94 0.00 0.00 0.00 174.94 174.81 3kdp s SER 628 N 1.15 6.06 0.25 3.58 1.04 -1.26 -4.43 113.70 120.08 3kdp s SER 628 Ca 0.11 1.80 -0.15 0.00 0.48 0.00 0.00 55.95 58.19 3kdp s SER 628 Cb -0.19 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.29 3kdp s SER 628 CO -0.15 -0.98 0.11 1.21 0.98 0.00 0.00 173.24 174.41 3kdp n GLU 629 N -1.70 0.00 -0.80 4.02 4.07 -1.26 -1.24 120.64 123.74 3kdp n GLU 629 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 3kdp n GLU 629 Cb 0.53 -0.68 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 3kdp n GLU 629 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kdp n GLY 630 N 1.54 0.00 3.87 8.31 0.00 -1.26 -4.92 105.19 112.72 3kdp n GLY 630 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kdp n GLY 630 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kdp s ASN 631 N -1.70 6.40 0.34 1.61 3.84 -0.37 -5.10 114.94 119.96 3kdp s ASN 631 Ca 0.00 0.47 0.06 0.00 0.21 0.00 0.00 52.86 53.61 3kdp s ASN 631 Cb 0.00 -2.08 -0.07 0.00 -0.55 0.00 0.00 41.25 38.55 3kdp s ASN 631 CO 0.00 0.39 -0.01 -1.61 -2.79 0.00 0.00 177.10 173.08 3kdp s GLU 632 N -0.94 1.76 0.52 0.43 2.02 -1.26 -4.86 118.70 116.36 3kdp s GLU 632 Ca 0.15 -1.95 0.04 0.00 0.02 0.00 0.00 54.97 53.22 3kdp s GLU 632 Cb -0.12 -1.32 0.01 0.00 0.10 0.00 0.00 34.13 32.79 3kdp s GLU 632 CO 0.04 -0.04 0.20 -0.08 0.02 0.00 0.00 175.26 175.41 3kdp s THR 633 N -2.93 1.50 0.05 3.63 -1.32 -1.26 -2.23 115.64 113.08 3kdp s THR 633 Ca 0.34 -1.74 -0.19 0.00 -1.21 0.00 0.00 61.69 58.89 3kdp s THR 633 Cb 0.07 -2.24 -0.09 0.00 -1.51 0.00 0.00 72.50 68.73 3kdp s THR 633 CO 0.16 0.00 1.29 0.58 -2.21 0.00 0.00 174.62 174.44 3kdp h VAL 634 N 1.08 0.00 -0.44 5.08 2.07 -1.92 -1.47 116.25 120.65 3kdp h VAL 634 Ca -0.41 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.20 3kdp h VAL 634 Cb 1.30 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 3kdp h VAL 634 CO 0.66 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 177.64 3kdp h GLU 635 N -0.51 -0.18 -1.31 1.57 5.08 -1.97 0.63 114.58 117.89 3kdp h GLU 635 Ca -0.03 0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.76 3kdp h GLU 635 Cb 0.45 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 3kdp h GLU 635 CO -0.06 -0.12 0.86 -0.44 -1.00 0.00 0.00 179.01 178.24 3kdp h ASP 636 N -0.19 0.25 0.01 1.42 3.32 -1.92 -1.92 116.42 117.39 3kdp h ASP 636 Ca 0.20 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3kdp h ASP 636 Cb 0.51 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3kdp h ASP 636 CO -0.55 -0.12 -0.01 0.40 -1.72 0.00 0.00 179.24 177.24 3kdp h ILE 637 N 0.12 0.49 -0.95 0.35 2.04 0.13 -3.24 117.51 116.45 3kdp h ILE 637 Ca 0.78 -1.35 0.26 0.00 1.00 0.00 0.00 64.86 65.55 3kdp h ILE 637 Cb 2.47 0.93 -0.17 0.00 -0.74 0.00 0.00 36.82 39.30 3kdp h ILE 637 CO -0.35 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.00 3kdp h ALA 638 N -0.72 1.12 -0.11 1.87 0.00 -0.24 3.26 119.26 124.45 3kdp h ALA 638 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kdp h ALA 638 Cb 0.29 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3kdp h ALA 638 CO 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.71 3kdp n ALA 639 N -3.09 2.50 -0.26 0.00 0.00 -1.02 -0.78 120.51 117.86 3kdp n ALA 639 Ca 0.22 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.50 3kdp n ALA 639 Cb 0.72 -0.99 0.11 0.00 0.00 0.00 0.00 19.45 19.29 3kdp n ALA 639 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kdp n ARG 640 N -0.16 2.82 -0.87 0.00 0.63 1.08 -4.58 116.66 115.59 3kdp n ARG 640 Ca 0.04 -1.99 -0.02 0.00 -0.92 0.00 0.00 57.85 54.96 3kdp n ARG 640 Cb 0.12 -1.26 -0.02 0.00 0.45 0.00 0.00 32.46 31.75 3kdp n ARG 640 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3kdp n LEU 641 N -0.03 -0.17 -2.25 6.15 4.32 -0.35 -5.03 117.00 119.63 3kdp n LEU 641 Ca 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 56.01 54.54 3kdp n LEU 641 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3kdp n LEU 641 CO 0.06 0.97 0.00 -3.20 -1.22 0.00 0.00 177.39 173.99 3kdp n ASN 642 N 0.09 0.00 -4.11 -1.43 2.85 0.04 -4.90 115.26 107.81 3kdp n ASN 642 Ca -0.09 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.12 3kdp n ASN 642 Cb 0.72 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.58 3kdp n ASN 642 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3kdp s ILE 643 N -2.82 1.37 0.58 -1.44 -4.36 -1.00 -5.05 121.20 108.48 3kdp s ILE 643 Ca 0.00 -0.67 -0.18 0.00 -0.26 0.00 0.00 60.65 59.55 3kdp s ILE 643 Cb 0.00 -1.19 -0.13 0.00 1.25 0.00 0.00 42.46 42.39 3kdp s ILE 643 CO 0.00 0.40 0.01 -2.65 0.24 0.00 0.00 174.94 172.94 3kdp n PRO 644 N 3.32 0.13 -0.01 0.37 -0.02 -1.26 -4.61 135.00 132.91 3kdp n PRO 644 Ca -0.19 0.05 -0.13 0.00 -2.02 0.00 0.00 63.50 61.21 3kdp n PRO 644 Cb 0.53 -1.22 -0.10 0.00 -0.02 0.00 0.00 33.50 32.69 3kdp n PRO 644 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kdp h VAL 645 N -0.07 1.38 0.00 -1.45 2.07 -1.97 -3.07 116.25 113.15 3kdp h VAL 645 Ca -0.43 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3kdp h VAL 645 Cb 1.42 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3kdp h VAL 645 CO 0.41 0.29 0.00 -1.54 0.02 0.00 0.00 177.57 176.76 3kdp n SER 646 N -4.86 0.02 0.00 0.57 3.41 -1.26 0.10 113.62 111.59 3kdp n SER 646 Ca -0.08 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3kdp n SER 646 Cb 0.25 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3kdp n SER 646 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3kdp n GLN 647 N 0.75 0.36 -3.57 4.33 7.27 -1.16 -5.02 117.38 120.35 3kdp n GLN 647 Ca 0.00 -0.26 -0.37 0.00 0.07 0.00 0.00 57.00 56.44 3kdp n GLN 647 Cb 0.00 -0.73 -0.09 0.00 2.41 0.00 0.00 30.24 31.84 3kdp n GLN 647 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3kdp s VAL 648 N -0.13 5.31 -0.69 1.69 1.01 0.11 -5.02 120.40 122.68 3kdp s VAL 648 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 3kdp s VAL 648 Cb 0.00 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 3kdp s VAL 648 CO 0.00 0.33 2.20 0.21 0.00 0.00 0.00 175.10 177.84 3kdp s ASN 649 N 0.95 4.58 0.64 3.32 3.84 -1.26 -4.82 114.94 122.19 3kdp s ASN 649 Ca 0.12 0.24 0.23 0.00 0.21 0.00 0.00 52.86 53.66 3kdp s ASN 649 Cb -0.14 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.17 3kdp s ASN 649 CO 0.05 -3.06 1.63 -0.65 -2.79 0.00 0.00 177.10 172.28 3kdp h PRO 650 N 14.81 0.00 -0.00 0.43 0.11 -1.95 0.82 132.00 146.21 3kdp h PRO 650 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3kdp h PRO 650 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kdp h PRO 650 CO 1.14 0.00 -0.02 0.54 -0.21 0.00 0.00 178.00 179.45 3kdp n ARG 651 N -3.08 0.88 0.20 1.05 5.12 -1.26 -2.46 116.66 117.11 3kdp n ARG 651 Ca 0.05 -0.12 0.14 0.00 -1.93 0.00 0.00 57.85 55.99 3kdp n ARG 651 Cb 0.75 -1.50 0.47 0.00 -1.16 0.00 0.00 32.46 31.03 3kdp n ARG 651 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3kdp h ASP 652 N 0.29 0.00 -3.62 0.55 3.32 0.30 -3.43 116.42 113.83 3kdp h ASP 652 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 3kdp h ASP 652 Cb 0.16 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.52 3kdp h ASP 652 CO 0.00 0.00 -0.41 0.00 -1.72 0.00 0.00 179.24 177.11 3kdp s ALA 653 N -3.37 3.49 -0.03 3.45 0.00 -1.03 -4.96 121.76 119.31 3kdp s ALA 653 Ca 0.05 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 3kdp s ALA 653 Cb 0.09 -2.80 -0.19 0.00 0.00 0.00 0.00 23.12 20.22 3kdp s ALA 653 CO 0.54 -1.20 1.16 0.87 0.00 0.00 0.00 175.76 177.13 3kdp h LYS 654 N 8.55 -0.09 -6.53 0.00 1.79 -1.84 -3.46 116.57 114.99 3kdp h LYS 654 Ca -0.29 0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 57.74 3kdp h LYS 654 Cb 1.14 0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.83 3kdp h LYS 654 CO 0.69 0.39 -0.21 0.00 -1.08 0.00 0.00 179.45 179.24 3kdp s ALA 655 N -4.11 4.03 -0.11 3.86 0.00 -0.95 -2.11 121.76 122.37 3kdp s ALA 655 Ca -0.15 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 3kdp s ALA 655 Cb 0.01 -1.90 0.11 0.00 0.00 0.00 0.00 23.12 21.34 3kdp s ALA 655 CO 0.62 -0.26 0.90 0.00 0.00 0.00 0.00 175.76 177.02 3kdp s VAL 657 N -1.35 3.80 -0.07 0.00 1.01 -1.26 -1.33 120.40 121.20 3kdp s VAL 657 Ca -0.04 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3kdp s VAL 657 Cb -0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3kdp s VAL 657 CO 0.03 0.49 -0.24 -0.69 0.00 0.00 0.00 175.10 174.68 3kdp s VAL 658 N 0.41 2.08 -0.10 2.92 1.01 -0.54 -4.96 120.40 121.22 3kdp s VAL 658 Ca -0.04 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3kdp s VAL 658 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3kdp s VAL 658 CO 0.03 0.57 0.48 -2.28 0.00 0.00 0.00 175.10 173.90 3kdp s HIS 659 N -0.02 3.54 -0.57 5.22 2.46 -1.26 -0.19 115.29 124.48 3kdp s HIS 659 Ca -0.08 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.37 3kdp s HIS 659 Cb -0.15 -2.54 0.00 0.00 -0.13 0.00 0.00 32.58 29.76 3kdp s HIS 659 CO 0.05 0.21 0.62 0.41 -2.47 0.00 0.00 174.74 173.57 3kdp n GLY 660 N 3.11 -0.18 0.37 1.59 0.00 0.45 0.33 105.19 110.86 3kdp n GLY 660 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3kdp n GLY 660 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kdp n SER 661 N -1.12 1.77 -0.06 1.61 7.64 -1.26 -2.83 113.62 119.36 3kdp n SER 661 Ca 0.00 -1.38 -0.04 0.00 1.01 0.00 0.00 58.87 58.45 3kdp n SER 661 Cb 0.21 0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 63.89 3kdp n SER 661 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kdp n ASP 662 N -0.39 1.01 -0.01 6.43 8.00 0.15 -4.36 116.55 127.37 3kdp n ASP 662 Ca 0.08 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 3kdp n ASP 662 Cb 0.43 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.59 3kdp n ASP 662 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kdp h LEU 663 N 0.00 -0.13 -0.54 0.64 6.46 -1.52 -1.56 115.31 118.66 3kdp h LEU 663 Ca -0.34 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 57.59 3kdp h LEU 663 Cb 1.73 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 41.65 3kdp h LEU 663 CO 0.02 -0.05 -0.05 1.17 -0.62 0.00 0.00 178.44 178.90 3kdp n LYS 664 N -5.17 -0.05 -0.22 1.25 4.81 -1.13 -0.57 118.16 117.09 3kdp n LYS 664 Ca -0.04 0.83 0.06 0.00 -0.87 0.00 0.00 58.31 58.29 3kdp n LYS 664 Cb 0.10 -1.28 0.16 0.00 0.02 0.00 0.00 35.03 34.03 3kdp n LYS 664 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kdp n ASP 665 N -4.76 3.06 -4.90 3.14 8.00 -0.91 -4.98 116.55 115.20 3kdp n ASP 665 Ca 0.11 -2.26 -0.26 0.00 0.71 0.00 0.00 54.79 53.09 3kdp n ASP 665 Cb 0.35 -0.29 0.07 0.00 -0.02 0.00 0.00 41.12 41.24 3kdp n ASP 665 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3kdp s MET 666 N -1.46 2.13 0.02 -1.24 -1.94 0.26 -5.09 119.30 111.98 3kdp s MET 666 Ca 0.26 -0.28 0.09 0.00 -1.71 0.00 0.00 55.69 54.04 3kdp s MET 666 Cb 0.17 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 3kdp s MET 666 CO 0.13 -1.29 -0.26 -0.08 -0.01 0.00 0.00 175.02 173.51 3kdp s THR 667 N -3.27 2.14 0.16 2.05 -1.32 -1.26 -5.00 115.64 109.14 3kdp s THR 667 Ca 0.61 -1.28 0.08 0.00 -1.21 0.00 0.00 61.69 59.88 3kdp s THR 667 Cb -0.10 -1.80 0.16 0.00 -1.51 0.00 0.00 72.50 69.25 3kdp s THR 667 CO 0.45 0.44 0.71 -1.54 -2.21 0.00 0.00 174.62 172.47 3kdp n SER 668 N 2.00 0.11 0.01 8.08 3.41 -1.26 0.34 113.62 126.31 3kdp n SER 668 Ca -0.17 0.75 -0.18 0.00 -0.26 0.00 0.00 58.87 59.01 3kdp n SER 668 Cb 0.52 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 3kdp n SER 668 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kdp h GLU 669 N 0.00 0.55 0.00 4.33 3.07 -1.98 0.66 114.58 121.21 3kdp h GLU 669 Ca 0.36 -0.56 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 3kdp h GLU 669 Cb 0.91 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3kdp h GLU 669 CO -0.36 1.18 -0.05 1.96 -1.40 0.00 0.00 179.01 180.34 3kdp h GLN 670 N 0.13 0.00 0.04 2.33 4.20 -0.51 -2.27 115.11 119.03 3kdp h GLN 670 Ca -0.09 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3kdp h GLN 670 Cb 1.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.21 3kdp h GLN 670 CO 0.15 0.05 -0.42 1.25 -0.67 0.00 0.00 178.83 179.18 3kdp h LEU 671 N 0.00 0.31 -2.02 1.46 6.46 -0.71 -1.97 115.31 118.85 3kdp h LEU 671 Ca -0.00 -0.85 0.09 0.00 -0.12 0.00 0.00 57.88 56.99 3kdp h LEU 671 Cb 0.11 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3kdp h LEU 671 CO 0.01 1.13 0.22 0.44 -0.62 0.00 0.00 178.44 179.62 3kdp h ASP 672 N -0.47 0.00 -0.11 1.25 3.32 0.56 0.28 116.42 121.25 3kdp h ASP 672 Ca -0.06 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.76 3kdp h ASP 672 Cb 1.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 3kdp h ASP 672 CO 0.08 0.00 -0.82 0.44 -1.72 0.00 0.00 179.24 177.22 3kdp h ASP 673 N 0.00 0.91 0.11 6.45 3.45 -1.39 0.13 116.42 126.09 3kdp h ASP 673 Ca 0.14 -0.66 -0.05 0.00 0.43 0.00 0.00 57.03 56.89 3kdp h ASP 673 Cb 0.59 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3kdp h ASP 673 CO -0.00 1.43 -0.18 0.40 -1.57 0.00 0.00 179.24 179.32 3kdp h ILE 674 N 0.47 1.18 0.11 0.35 2.04 -0.20 -2.15 117.51 119.31 3kdp h ILE 674 Ca -0.07 -0.84 -0.22 0.00 1.00 0.00 0.00 64.86 64.73 3kdp h ILE 674 Cb 1.46 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3kdp h ILE 674 CO 0.17 0.25 -1.07 -0.07 0.00 0.00 0.00 178.15 177.43 3kdp h LEU 675 N 0.15 0.35 -2.35 1.44 4.07 -1.16 -3.22 115.31 114.60 3kdp h LEU 675 Ca 0.03 -0.88 0.00 0.00 0.08 0.00 0.00 57.88 57.11 3kdp h LEU 675 Cb 0.42 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3kdp h LEU 675 CO 0.03 1.48 0.00 0.50 -1.08 0.00 0.00 178.44 179.37 3kdp h LYS 676 N -0.44 0.00 0.00 1.13 3.64 -0.57 -3.24 116.57 117.09 3kdp h LYS 676 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3kdp h LYS 676 Cb 1.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3kdp h LYS 676 CO 0.07 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 3kdp n TYR 677 N -2.97 0.00 -4.52 1.91 4.01 -0.82 -5.02 117.16 109.75 3kdp n TYR 677 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 3kdp n TYR 677 Cb 0.14 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.03 3kdp n TYR 677 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3kdp s HIS 678 N -0.41 1.91 -0.22 -0.72 3.76 -1.21 -4.93 115.29 113.47 3kdp s HIS 678 Ca 0.00 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.43 3kdp s HIS 678 Cb 0.00 -1.09 -0.18 0.00 1.11 0.00 0.00 32.58 32.41 3kdp s HIS 678 CO 0.00 0.16 -0.04 0.25 -0.85 0.00 0.00 174.74 174.26 3kdp n THR 679 N 1.47 1.58 -3.54 1.30 -2.24 -0.90 -4.84 114.28 107.11 3kdp n THR 679 Ca -0.18 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 3kdp n THR 679 Cb 0.53 -1.72 -0.08 0.00 -2.10 0.00 0.00 70.33 66.96 3kdp n THR 679 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kdp s GLU 680 N -2.50 2.50 0.08 -0.78 2.02 -1.23 -4.83 118.70 113.96 3kdp s GLU 680 Ca -0.32 -1.75 0.05 0.00 0.02 0.00 0.00 54.97 52.97 3kdp s GLU 680 Cb 0.09 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 3kdp s GLU 680 CO 0.61 -1.19 -0.01 0.42 0.02 0.00 0.00 175.26 175.11 3kdp s ILE 681 N 1.37 3.97 -0.36 -1.63 1.01 -1.26 -0.10 121.20 124.21 3kdp s ILE 681 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3kdp s ILE 681 Cb -0.26 -2.88 0.15 0.00 0.01 0.00 0.00 42.46 39.48 3kdp s ILE 681 CO -0.00 0.14 0.29 -0.69 0.00 0.00 0.00 174.94 174.68 3kdp s VAL 682 N -1.28 -0.12 -0.32 2.92 1.01 -0.45 -2.71 120.40 119.44 3kdp s VAL 682 Ca 0.25 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 3kdp s VAL 682 Cb -0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3kdp s VAL 682 CO 0.17 -0.76 1.49 -0.36 0.00 0.00 0.00 175.10 175.64 3kdp s PHE 683 N 1.34 2.32 0.23 5.22 0.40 -0.54 -1.47 117.98 125.49 3kdp s PHE 683 Ca 0.17 0.68 0.06 0.00 -0.60 0.00 0.00 56.93 57.24 3kdp s PHE 683 Cb -0.19 -4.10 -0.03 0.00 0.51 0.00 0.00 43.02 39.21 3kdp s PHE 683 CO -0.04 -2.28 0.22 0.00 0.70 0.00 0.00 175.22 173.82 3kdp s ALA 684 N 5.30 3.67 0.00 5.36 0.00 0.74 -1.93 121.76 134.89 3kdp s ALA 684 Ca 0.65 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3kdp s ALA 684 Cb -0.18 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3kdp s ALA 684 CO 0.29 0.30 0.00 -2.13 0.00 0.00 0.00 175.76 174.22 3kdp n ARG 685 N -1.08 -0.46 -4.26 0.00 0.63 0.11 -0.41 116.66 111.19 3kdp n ARG 685 Ca -0.08 0.56 -0.18 0.00 -0.92 0.00 0.00 57.85 57.23 3kdp n ARG 685 Cb 0.57 -0.49 -0.15 0.00 0.45 0.00 0.00 32.46 32.84 3kdp n ARG 685 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3kdp s THR 686 N -0.24 0.58 1.05 5.15 -4.23 -1.20 -2.47 115.64 114.28 3kdp s THR 686 Ca 0.00 -0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.08 3kdp s THR 686 Cb 0.00 -0.52 0.08 0.00 1.34 0.00 0.00 72.50 73.41 3kdp s THR 686 CO 0.00 0.18 0.21 -1.20 -0.54 0.00 0.00 174.62 173.27 3kdp n SER 687 N 3.19 -2.22 0.40 3.99 7.64 -1.26 -4.49 113.62 120.87 3kdp n SER 687 Ca -0.16 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.59 3kdp n SER 687 Cb 0.56 -1.07 -0.09 0.00 -1.01 0.00 0.00 64.21 62.60 3kdp n SER 687 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kdp h PRO 688 N -1.89 -0.96 -0.99 1.43 0.11 -1.84 -2.67 132.00 125.18 3kdp h PRO 688 Ca -0.50 0.07 0.41 0.00 0.11 0.00 0.00 66.00 66.09 3kdp h PRO 688 Cb 1.33 0.22 -0.18 0.00 0.11 0.00 0.00 31.00 32.48 3kdp h PRO 688 CO 0.37 -0.64 0.53 1.04 -0.21 0.00 0.00 178.00 179.10 3kdp n GLN 689 N -5.51 -0.06 0.22 1.05 3.00 -1.26 -0.51 117.38 114.32 3kdp n GLN 689 Ca -0.14 1.37 0.07 0.00 -0.01 0.00 0.00 57.00 58.28 3kdp n GLN 689 Cb 0.41 -2.45 0.52 0.00 0.00 0.00 0.00 30.24 28.71 3kdp n GLN 689 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3kdp h GLN 690 N 0.00 0.00 0.42 -1.09 4.20 -1.78 0.25 115.11 117.11 3kdp h GLN 690 Ca 0.84 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.53 3kdp h GLN 690 Cb 2.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.00 3kdp h GLN 690 CO -0.76 0.23 -0.20 0.87 -0.67 0.00 0.00 178.83 178.30 3kdp h LYS 691 N 0.00 -0.54 -0.29 1.46 1.57 -0.77 -2.41 116.57 115.59 3kdp h LYS 691 Ca -0.00 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3kdp h LYS 691 Cb 0.47 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 3kdp h LYS 691 CO 0.03 -0.24 -0.54 1.25 -0.57 0.00 0.00 179.45 179.38 3kdp h LEU 692 N -0.86 -1.78 -1.26 2.94 6.46 -1.46 0.27 115.31 119.62 3kdp h LEU 692 Ca -0.06 0.23 0.34 0.00 -0.12 0.00 0.00 57.88 58.27 3kdp h LEU 692 Cb 0.56 0.72 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 3kdp h LEU 692 CO 0.09 -0.44 1.23 0.40 -0.62 0.00 0.00 178.44 179.11 3kdp h ILE 693 N -0.48 0.02 0.00 4.05 1.08 -0.36 -0.40 117.51 121.42 3kdp h ILE 693 Ca 0.06 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.42 3kdp h ILE 693 Cb 0.63 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3kdp h ILE 693 CO -0.53 0.00 -0.91 -0.38 -0.69 0.00 0.00 178.15 175.65 3kdp n ILE 694 N -3.39 1.47 -0.24 -0.67 5.41 0.80 -3.75 119.36 119.00 3kdp n ILE 694 Ca 0.27 0.10 -0.06 0.00 1.00 0.00 0.00 62.75 64.05 3kdp n ILE 694 Cb 1.59 -2.23 -0.06 0.00 -0.71 0.00 0.00 39.64 38.23 3kdp n ILE 694 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3kdp n VAL 695 N -4.52 -0.38 -0.46 1.39 0.31 -0.32 -0.55 118.33 113.78 3kdp n VAL 695 Ca -0.19 1.84 0.39 0.00 -0.01 0.00 0.00 64.34 66.36 3kdp n VAL 695 Cb 0.46 -2.32 0.67 0.00 -0.91 0.00 0.00 33.84 31.75 3kdp n VAL 695 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kdp h GLU 696 N 0.00 0.05 0.00 5.55 5.08 -1.30 0.29 114.58 124.25 3kdp h GLU 696 Ca 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kdp h GLU 696 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kdp h GLU 696 CO -0.53 0.03 -1.20 0.41 -1.00 0.00 0.00 179.01 176.72 3kdp n GLY 697 N -1.54 -1.24 0.06 -3.84 0.00 0.28 0.73 105.19 99.64 3kdp n GLY 697 Ca 0.39 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kdp n GLY 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp h GLN 699 N -0.42 -0.81 0.00 0.00 4.20 -0.78 -3.19 115.11 114.11 3kdp h GLN 699 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3kdp h GLN 699 Cb 0.43 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3kdp h GLN 699 CO 0.00 -0.54 0.00 -2.13 -0.67 0.00 0.00 178.83 175.49 3kdp n ARG 700 N -5.51 0.00 -3.28 1.46 0.63 0.23 -0.59 116.66 109.60 3kdp n ARG 700 Ca -0.10 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.41 3kdp n ARG 700 Cb 0.42 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.32 3kdp n ARG 700 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kdp n GLN 701 N -2.11 3.68 0.00 -0.14 10.64 -1.21 -4.93 117.38 123.32 3kdp n GLN 701 Ca 0.00 -4.51 0.00 0.00 -1.83 0.00 0.00 57.00 50.66 3kdp n GLN 701 Cb 0.00 -2.50 0.00 0.00 -0.86 0.00 0.00 30.24 26.88 3kdp n GLN 701 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kdp n GLY 702 N 2.08 0.80 2.76 2.61 0.00 0.24 -4.93 105.19 108.75 3kdp n GLY 702 Ca 0.25 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3kdp n GLY 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp n ALA 703 N 0.00 -2.53 -2.70 4.61 0.00 -1.26 -4.93 120.51 113.70 3kdp n ALA 703 Ca 0.00 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 3kdp n ALA 703 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 3kdp n ALA 703 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kdp s ILE 704 N -0.83 5.03 -0.06 0.00 -1.09 -1.26 -4.45 121.20 118.54 3kdp s ILE 704 Ca 0.52 1.38 0.06 0.00 -2.23 0.00 0.00 60.65 60.38 3kdp s ILE 704 Cb -0.75 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.11 3kdp s ILE 704 CO 0.46 0.21 -0.24 0.68 -1.23 0.00 0.00 174.94 174.81 3kdp s VAL 705 N 1.14 1.97 0.31 2.92 -7.23 -1.26 -1.22 120.40 117.04 3kdp s VAL 705 Ca 0.35 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.56 3kdp s VAL 705 Cb -0.17 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 3kdp s VAL 705 CO 0.15 0.55 0.46 0.00 -0.31 0.00 0.00 175.10 175.95 3kdp s ALA 706 N -0.06 4.02 -0.07 1.32 0.00 0.51 -0.85 121.76 126.64 3kdp s ALA 706 Ca -0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 3kdp s ALA 706 Cb -0.14 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.23 3kdp s ALA 706 CO 0.04 0.03 0.14 0.08 0.00 0.00 0.00 175.76 176.06 3kdp s VAL 707 N -2.15 -0.11 -0.06 0.00 1.01 -1.02 -1.94 120.40 116.13 3kdp s VAL 707 Ca 0.41 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 3kdp s VAL 707 Cb -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3kdp s VAL 707 CO 0.31 0.10 0.10 -0.89 0.00 0.00 0.00 175.10 174.72 3kdp s THR 708 N 1.49 4.98 0.20 3.92 2.01 0.38 -0.08 115.64 128.54 3kdp s THR 708 Ca -0.06 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 3kdp s THR 708 Cb -0.12 -3.22 0.05 0.00 0.01 0.00 0.00 72.50 69.22 3kdp s THR 708 CO -0.06 0.48 0.64 0.61 -0.69 0.00 0.00 174.62 175.60 3kdp n GLY 709 N 1.58 1.03 0.00 4.40 0.00 -0.83 -1.80 105.19 109.57 3kdp n GLY 709 Ca -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3kdp n GLY 709 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdp n ASP 710 N -1.21 0.00 -4.52 1.61 3.85 -1.26 -2.43 116.55 112.58 3kdp n ASP 710 Ca -0.04 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 53.73 3kdp n ASP 710 Cb 0.41 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.06 3kdp n ASP 710 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3kdp s GLY 711 N 0.00 1.66 0.62 6.12 0.00 -1.26 -1.63 107.32 112.82 3kdp s GLY 711 Ca 0.00 -1.11 0.30 0.00 0.00 0.00 0.00 44.72 43.90 3kdp s GLY 711 CO 0.00 -0.99 1.90 -0.24 0.00 0.00 0.00 173.10 173.76 3kdp h VAL 712 N 3.85 0.00 0.00 1.40 3.04 -1.91 0.84 116.25 123.47 3kdp h VAL 712 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3kdp h VAL 712 Cb 1.16 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3kdp h VAL 712 CO 0.51 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.61 3kdp n ASN 713 N -2.80 0.00 -0.10 3.17 6.94 -1.26 -3.56 115.26 117.65 3kdp n ASN 713 Ca -0.02 0.34 -0.13 0.00 -0.02 0.00 0.00 54.58 54.75 3kdp n ASN 713 Cb 0.33 -0.42 -0.14 0.00 -2.36 0.00 0.00 39.78 37.18 3kdp n ASN 713 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kdp n ASP 714 N -1.42 0.82 0.00 0.53 8.00 0.29 -4.50 116.55 120.27 3kdp n ASP 714 Ca 0.05 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3kdp n ASP 714 Cb 0.16 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3kdp n ASP 714 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kdp n SER 715 N -2.97 0.00 -0.25 -2.24 3.41 -1.23 -1.14 113.62 109.20 3kdp n SER 715 Ca -0.36 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 3kdp n SER 715 Cb 1.09 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.08 3kdp n SER 715 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kdp n PRO 716 N -1.48 -0.13 -0.03 4.33 -0.02 -1.26 0.14 135.00 136.56 3kdp n PRO 716 Ca 0.00 1.01 -0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3kdp n PRO 716 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 3kdp n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdp h ALA 717 N 1.00 0.03 0.00 3.55 0.00 -1.46 -1.27 119.26 121.11 3kdp h ALA 717 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kdp h ALA 717 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kdp h ALA 717 CO -0.66 -0.16 0.09 0.43 0.00 0.00 0.00 179.25 178.95 3kdp n SER 718 N -4.77 0.00 -0.11 0.00 7.64 0.11 -0.25 113.62 116.24 3kdp n SER 718 Ca -0.08 0.37 0.06 0.00 1.01 0.00 0.00 58.87 60.23 3kdp n SER 718 Cb 0.30 -0.37 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 3kdp n SER 718 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3kdp n LYS 719 N -1.36 1.41 0.00 1.43 0.00 0.38 -4.22 118.16 115.80 3kdp n LYS 719 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 58.31 56.26 3kdp n LYS 719 Cb 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 33.90 3kdp n LYS 719 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3kdp n LYS 720 N -0.99 0.59 -2.03 1.64 3.00 0.65 -4.86 118.16 116.17 3kdp n LYS 720 Ca 0.10 -0.31 -0.40 0.00 -0.00 0.00 0.00 58.31 57.69 3kdp n LYS 720 Cb 0.56 -0.79 -0.01 0.00 0.00 0.00 0.00 35.03 34.79 3kdp n LYS 720 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kdp s ALA 721 N -0.17 3.46 0.16 3.14 0.00 0.33 -4.90 121.76 123.78 3kdp s ALA 721 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 3kdp s ALA 721 Cb 0.00 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.68 3kdp s ALA 721 CO 0.00 -0.78 1.75 -0.44 0.00 0.00 0.00 175.76 176.29 3kdp h ASP 722 N 3.14 0.14 -3.76 0.00 3.32 -1.33 -3.39 116.42 114.54 3kdp h ASP 722 Ca -0.50 0.04 -0.40 0.00 0.02 0.00 0.00 57.03 56.20 3kdp h ASP 722 Cb 1.23 0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.50 3kdp h ASP 722 CO 0.64 0.11 -0.78 -0.51 -1.72 0.00 0.00 179.24 176.99 3kdp s ILE 723 N -6.16 0.63 -0.19 0.35 2.07 -1.18 -4.89 121.20 111.84 3kdp s ILE 723 Ca -0.13 -0.27 -0.02 0.00 -1.41 0.00 0.00 60.65 58.82 3kdp s ILE 723 Cb 0.12 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 3kdp s ILE 723 CO 0.71 0.21 -0.09 -0.83 -1.91 0.00 0.00 174.94 173.03 3kdp s GLY 724 N 0.29 1.56 -0.20 1.50 0.00 -1.26 -2.43 107.32 106.77 3kdp s GLY 724 Ca -0.04 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 3kdp s GLY 724 CO 0.00 0.22 0.05 0.14 0.00 0.00 0.00 173.10 173.51 3kdp s VAL 725 N 1.10 4.54 0.24 1.40 1.01 0.89 0.15 120.40 129.74 3kdp s VAL 725 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3kdp s VAL 725 Cb -0.15 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.22 3kdp s VAL 725 CO -0.02 0.43 0.34 0.00 0.00 0.00 0.00 175.10 175.85 3kdp n ALA 726 N 3.88 0.41 -2.49 5.51 0.00 -0.92 -1.96 120.51 124.95 3kdp n ALA 726 Ca -0.17 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.15 3kdp n ALA 726 Cb 0.52 0.21 -0.12 0.00 0.00 0.00 0.00 19.45 20.06 3kdp n ALA 726 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kdp s MET 727 N -3.13 1.91 -0.04 0.00 -1.94 -1.02 -3.29 119.30 111.79 3kdp s MET 727 Ca 0.25 -1.10 -0.14 0.00 -1.71 0.00 0.00 55.69 52.99 3kdp s MET 727 Cb -0.02 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 34.59 3kdp s MET 727 CO 0.16 0.50 0.56 0.78 -0.01 0.00 0.00 175.02 177.02 3kdp h GLY 728 N 3.99 -0.50 0.00 -0.03 0.00 -1.57 -3.30 103.07 101.66 3kdp h GLY 728 Ca -0.49 0.19 -0.33 0.00 0.00 0.00 0.00 47.33 46.70 3kdp h GLY 728 CO 0.47 -0.18 -2.24 0.29 0.00 0.00 0.00 176.54 174.88 3kdp n ILE 729 N -5.10 1.24 0.00 2.60 -5.35 -1.26 -4.52 119.36 106.97 3kdp n ILE 729 Ca -0.06 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3kdp n ILE 729 Cb 0.19 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 3kdp n ILE 729 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kdp n ALA 730 N -2.81 -0.17 -0.75 -1.28 0.00 -1.26 -4.90 120.51 109.34 3kdp n ALA 730 Ca -0.32 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 3kdp n ALA 730 Cb 1.03 0.05 0.02 0.00 0.00 0.00 0.00 19.45 20.55 3kdp n ALA 730 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdp n GLY 731 N -0.74 -1.33 3.47 0.00 0.00 -1.24 -5.00 105.19 100.34 3kdp n GLY 731 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3kdp n GLY 731 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kdp s SER 732 N -1.10 3.82 0.09 1.61 1.04 -0.65 -4.97 113.70 113.55 3kdp s SER 732 Ca 0.07 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 3kdp s SER 732 Cb 0.00 -0.58 0.12 0.00 0.10 0.00 0.00 66.02 65.66 3kdp s SER 732 CO 0.09 0.23 0.60 0.47 0.98 0.00 0.00 173.24 175.61 3kdp n ASP 733 N 1.28 -0.22 0.00 7.02 10.43 -1.26 -2.48 116.55 131.32 3kdp n ASP 733 Ca -0.16 0.68 0.00 0.00 2.57 0.00 0.00 54.79 57.88 3kdp n ASP 733 Cb 0.52 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.32 3kdp n ASP 733 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3kdp n VAL 734 N -4.59 0.00 0.00 2.53 0.31 -1.26 -1.34 118.33 113.98 3kdp n VAL 734 Ca 0.05 0.69 0.00 0.00 -0.01 0.00 0.00 64.34 65.07 3kdp n VAL 734 Cb 0.17 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 3kdp n VAL 734 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kdp n SER 735 N -0.20 0.00 0.22 4.52 3.41 -1.03 0.17 113.62 120.71 3kdp n SER 735 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3kdp n SER 735 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3kdp n SER 735 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kdp h LYS 736 N 0.00 -0.58 0.00 4.33 2.10 -1.55 -2.68 116.57 118.19 3kdp h LYS 736 Ca 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kdp h LYS 736 Cb 0.00 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3kdp h LYS 736 CO 0.00 -0.28 0.00 1.04 -2.00 0.00 0.00 179.45 178.21 3kdp n GLN 737 N -5.21 0.00 -0.55 0.07 1.13 0.13 0.19 117.38 113.14 3kdp n GLN 737 Ca -0.10 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.97 3kdp n GLN 737 Cb 0.29 -0.96 0.01 0.00 0.11 0.00 0.00 30.24 29.69 3kdp n GLN 737 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kdp n ALA 738 N -0.11 2.06 -2.55 -1.58 0.00 -0.96 -4.42 120.51 112.96 3kdp n ALA 738 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 53.44 51.92 3kdp n ALA 738 Cb 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 3kdp n ALA 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp s ALA 739 N -0.26 2.90 -0.22 0.00 0.00 0.52 -3.73 121.76 120.97 3kdp s ALA 739 Ca 0.06 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 3kdp s ALA 739 Cb 0.06 0.43 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 3kdp s ALA 739 CO -0.01 -0.22 -0.31 -0.25 0.00 0.00 0.00 175.76 174.97 3kdp n ASP 740 N -0.92 1.71 -4.97 0.00 10.43 0.12 -4.88 116.55 118.05 3kdp n ASP 740 Ca -0.06 0.29 -0.21 0.00 2.57 0.00 0.00 54.79 57.39 3kdp n ASP 740 Cb 0.67 -0.70 -0.01 0.00 1.84 0.00 0.00 41.12 42.91 3kdp n ASP 740 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3kdp s MET 741 N -2.51 3.34 -0.43 -1.24 -1.94 -0.98 -1.18 119.30 114.36 3kdp s MET 741 Ca -0.32 -0.74 0.05 0.00 -1.71 0.00 0.00 55.69 52.97 3kdp s MET 741 Cb 0.11 -2.82 0.17 0.00 2.01 0.00 0.00 34.83 34.30 3kdp s MET 741 CO 0.41 0.25 0.48 0.42 -0.01 0.00 0.00 175.02 176.57 3kdp s ILE 742 N -2.12 -0.36 -0.81 2.53 1.01 -0.73 -2.16 121.20 118.56 3kdp s ILE 742 Ca 0.39 -1.47 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 3kdp s ILE 742 Cb -0.09 -0.61 -0.19 0.00 0.01 0.00 0.00 42.46 41.57 3kdp s ILE 742 CO 0.31 -0.59 2.37 0.18 0.00 0.00 0.00 174.94 177.22 3kdp n LEU 743 N 3.42 0.90 -0.02 2.97 4.77 -1.21 -3.42 117.00 124.42 3kdp n LEU 743 Ca 0.19 -0.94 0.14 0.00 -0.03 0.00 0.00 56.01 55.38 3kdp n LEU 743 Cb 0.50 -1.29 0.58 0.00 -2.33 0.00 0.00 43.42 40.87 3kdp n LEU 743 CO 0.05 -1.99 1.17 -0.07 -1.33 0.00 0.00 177.39 175.23 3kdp h LEU 744 N 18.19 0.21 -3.09 2.23 3.38 -1.59 0.55 115.31 135.20 3kdp h LEU 744 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kdp h LEU 744 Cb 1.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kdp h LEU 744 CO 1.23 0.12 0.00 -0.90 0.09 0.00 0.00 178.44 178.98 3kdp n ASP 745 N -4.45 4.39 -0.06 -0.43 5.68 -1.25 -4.46 116.55 115.97 3kdp n ASP 745 Ca 0.09 -2.41 -0.01 0.00 -0.50 0.00 0.00 54.79 51.96 3kdp n ASP 745 Cb 0.42 -0.52 -0.00 0.00 -1.14 0.00 0.00 41.12 39.88 3kdp n ASP 745 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kdp n ASP 746 N 0.94 -5.09 -4.61 -1.12 8.00 0.10 -4.92 116.55 109.85 3kdp n ASP 746 Ca 0.24 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 3kdp n ASP 746 Cb 0.81 -3.10 -0.02 0.00 -0.02 0.00 0.00 41.12 38.79 3kdp n ASP 746 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kdp s ASN 747 N -1.73 6.28 -0.07 -2.24 3.04 -1.26 -4.90 114.94 114.06 3kdp s ASN 747 Ca 0.00 1.10 0.02 0.00 0.04 0.00 0.00 52.86 54.01 3kdp s ASN 747 Cb 0.00 -2.54 0.15 0.00 -1.54 0.00 0.00 41.25 37.33 3kdp s ASN 747 CO 0.00 -1.43 0.96 0.33 -3.04 0.00 0.00 177.10 173.93 3kdp n PHE 748 N 8.95 0.52 -0.05 0.43 7.35 -1.26 -2.61 117.46 130.79 3kdp n PHE 748 Ca 0.18 -0.45 -0.00 0.00 -0.76 0.00 0.00 57.45 56.42 3kdp n PHE 748 Cb 0.47 -0.28 -0.15 0.00 0.35 0.00 0.00 39.48 39.87 3kdp n PHE 748 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kdp n ALA 749 N 0.15 2.09 0.07 3.13 0.00 -1.26 -4.24 120.51 120.45 3kdp n ALA 749 Ca 0.09 -0.87 0.01 0.00 0.00 0.00 0.00 53.44 52.66 3kdp n ALA 749 Cb 0.59 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.69 3kdp n ALA 749 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kdp n SER 750 N -2.45 0.00 0.06 0.00 7.64 -1.07 0.70 113.62 118.49 3kdp n SER 750 Ca -0.18 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.65 3kdp n SER 750 Cb 0.83 -0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.79 3kdp n SER 750 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3kdp h ILE 751 N 0.00 1.34 0.11 0.44 5.03 -1.80 -2.36 117.51 120.26 3kdp h ILE 751 Ca 0.00 -3.01 -0.01 0.00 -0.12 0.00 0.00 64.86 61.73 3kdp h ILE 751 Cb 0.00 2.78 0.00 0.00 -3.03 0.00 0.00 36.82 36.57 3kdp h ILE 751 CO 0.00 0.83 -0.05 0.58 -0.68 0.00 0.00 178.15 178.83 3kdp h VAL 752 N 0.04 0.95 -0.87 1.67 2.07 -0.00 -1.35 116.25 118.76 3kdp h VAL 752 Ca -0.16 -1.34 0.15 0.00 0.82 0.00 0.00 66.70 66.16 3kdp h VAL 752 Cb 1.94 1.66 -0.15 0.00 -1.52 0.00 0.00 31.29 33.22 3kdp h VAL 752 CO 0.15 0.27 -0.34 0.74 0.02 0.00 0.00 177.57 178.42 3kdp h THR 753 N -0.89 0.07 -0.77 2.57 2.02 -1.54 -1.43 112.91 112.95 3kdp h THR 753 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3kdp h THR 753 Cb 0.55 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3kdp h THR 753 CO 0.02 0.00 0.27 1.23 0.37 0.00 0.00 175.52 177.41 3kdp h GLY 754 N -0.04 1.27 1.99 2.16 0.00 -1.48 -0.84 103.07 106.13 3kdp h GLY 754 Ca 0.34 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kdp h GLY 754 CO -0.89 0.69 0.00 1.55 0.00 0.00 0.00 176.54 177.88 3kdp n VAL 755 N -4.26 0.64 -0.08 4.60 3.14 -0.51 -2.04 118.33 119.83 3kdp n VAL 755 Ca 0.07 0.16 -0.07 0.00 -2.96 0.00 0.00 64.34 61.54 3kdp n VAL 755 Cb 0.22 -0.82 -0.03 0.00 -1.06 0.00 0.00 33.84 32.15 3kdp n VAL 755 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3kdp n GLU 756 N -1.50 0.47 0.32 1.45 2.13 -0.63 -3.72 120.64 119.17 3kdp n GLU 756 Ca 0.05 0.48 0.07 0.00 0.66 0.00 0.00 57.16 58.42 3kdp n GLU 756 Cb 0.23 -1.66 0.34 0.00 0.27 0.00 0.00 31.44 30.62 3kdp n GLU 756 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3kdp h GLU 757 N -1.00 0.00 0.00 5.31 4.39 -1.18 0.89 114.58 122.99 3kdp h GLU 757 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kdp h GLU 757 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3kdp h GLU 757 CO -0.02 0.00 -1.01 0.41 -1.16 0.00 0.00 179.01 177.23 3kdp n GLY 758 N -1.40 -1.07 0.14 -3.84 0.00 -0.86 -2.73 105.19 95.42 3kdp n GLY 758 Ca -0.00 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3kdp n GLY 758 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kdp h ARG 759 N 0.00 0.00 0.11 1.61 3.08 0.72 -3.30 114.38 116.59 3kdp h ARG 759 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 3kdp h ARG 759 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3kdp h ARG 759 CO 0.00 0.00 -1.55 1.25 -1.07 0.00 0.00 179.97 178.60 3kdp h LEU 760 N 0.00 0.36 -2.35 3.04 6.46 -1.54 -3.17 115.31 118.11 3kdp h LEU 760 Ca -0.00 -0.84 0.03 0.00 -0.12 0.00 0.00 57.88 56.95 3kdp h LEU 760 Cb 1.00 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 3kdp h LEU 760 CO 0.00 1.67 0.19 -0.29 -0.62 0.00 0.00 178.44 179.40 3kdp h ILE 761 N -0.28 0.23 0.31 4.05 6.09 -1.66 0.15 117.51 126.40 3kdp h ILE 761 Ca -0.34 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.13 3kdp h ILE 761 Cb 1.79 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.91 3kdp h ILE 761 CO 0.04 0.00 -0.15 0.15 -3.07 0.00 0.00 178.15 175.12 3kdp h PHE 762 N 0.00 -0.39 -0.46 2.19 3.57 -1.63 -1.22 116.94 119.00 3kdp h PHE 762 Ca 0.05 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3kdp h PHE 762 Cb 0.43 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.20 3kdp h PHE 762 CO 0.00 -0.24 -0.33 -0.44 -2.23 0.00 0.00 178.31 175.07 3kdp h ASP 763 N -0.76 -1.12 0.00 0.41 5.19 -1.44 -0.80 116.42 117.90 3kdp h ASP 763 Ca -0.04 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3kdp h ASP 763 Cb 0.32 0.53 0.00 0.00 0.18 0.00 0.00 39.33 40.36 3kdp h ASP 763 CO 0.07 -0.32 0.00 0.59 -3.12 0.00 0.00 179.24 176.46 3kdp n ASN 764 N -5.42 0.00 0.01 6.45 4.13 0.48 0.10 115.26 121.01 3kdp n ASN 764 Ca 0.02 -0.59 0.11 0.00 1.68 0.00 0.00 54.58 55.80 3kdp n ASN 764 Cb 0.34 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.62 3kdp n ASN 764 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kdp n LEU 765 N -1.00 0.69 -0.08 3.41 4.77 -0.33 -2.43 117.00 122.03 3kdp n LEU 765 Ca 0.14 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3kdp n LEU 765 Cb 0.06 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3kdp n LEU 765 CO 0.11 0.13 -0.18 0.11 -1.33 0.00 0.00 177.39 176.22 3kdp h LYS 766 N 0.00 0.00 -0.08 3.23 1.57 0.92 -2.82 116.57 119.40 3kdp h LYS 766 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kdp h LYS 766 Cb 0.60 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 3kdp h LYS 766 CO 0.00 0.66 -0.32 0.87 -0.57 0.00 0.00 179.45 180.09 3kdp h LYS 767 N -1.00 -0.41 -0.57 3.15 1.57 -1.53 0.29 116.57 118.06 3kdp h LYS 767 Ca -0.14 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3kdp h LYS 767 Cb 0.89 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 3kdp h LYS 767 CO -0.09 -0.27 0.39 1.03 -0.57 0.00 0.00 179.45 179.94 3kdp h SER 768 N -0.42 0.29 0.01 0.86 0.87 -1.62 -2.05 113.55 111.49 3kdp h SER 768 Ca 0.08 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3kdp h SER 768 Cb 0.55 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3kdp h SER 768 CO -0.32 0.17 -0.01 0.40 -0.53 0.00 0.00 176.83 176.55 3kdp h ILE 769 N 0.32 0.00 -0.01 2.23 2.04 -1.01 -3.20 117.51 117.88 3kdp h ILE 769 Ca 0.27 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3kdp h ILE 769 Cb 0.63 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3kdp h ILE 769 CO -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.08 3kdp n ALA 770 N -2.64 -0.01 -0.37 1.87 0.00 0.93 0.68 120.51 120.98 3kdp n ALA 770 Ca -0.00 0.01 0.28 0.00 0.00 0.00 0.00 53.44 53.72 3kdp n ALA 770 Cb 0.01 0.24 0.54 0.00 0.00 0.00 0.00 19.45 20.24 3kdp n ALA 770 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3kdp h TYR 771 N 0.00 0.70 0.23 0.00 3.20 -1.54 0.75 116.97 120.32 3kdp h TYR 771 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3kdp h TYR 771 Cb 0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3kdp h TYR 771 CO -0.47 -0.10 -0.11 1.15 -1.64 0.00 0.00 178.16 176.99 3kdp h THR 772 N 0.27 0.00 -0.99 1.81 2.02 0.26 -3.33 112.91 112.95 3kdp h THR 772 Ca 0.71 -0.13 0.20 0.00 0.77 0.00 0.00 66.41 67.96 3kdp h THR 772 Cb 1.91 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.22 3kdp h THR 772 CO -0.43 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.00 3kdp h LEU 773 N -0.44 0.71 -0.73 2.58 3.38 0.95 -2.43 115.31 119.33 3kdp h LEU 773 Ca -0.03 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.16 3kdp h LEU 773 Cb 0.24 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 3kdp h LEU 773 CO 0.05 0.25 0.28 0.71 0.09 0.00 0.00 178.44 179.82 3kdp h THR 774 N 0.69 0.67 0.00 0.22 1.35 0.34 -0.41 112.91 115.77 3kdp h THR 774 Ca 0.57 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 3kdp h THR 774 Cb 0.98 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3kdp h THR 774 CO -0.35 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 173.46 3kdp n SER 775 N -5.01 0.00 0.12 5.36 3.41 -0.92 -2.96 113.62 113.63 3kdp n SER 775 Ca 0.13 -0.52 -0.02 0.00 -0.26 0.00 0.00 58.87 58.21 3kdp n SER 775 Cb 0.39 -0.10 0.19 0.00 -0.26 0.00 0.00 64.21 64.43 3kdp n SER 775 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3kdp h ASN 776 N 0.00 0.11 0.01 4.04 -1.24 -1.13 -3.35 115.58 114.02 3kdp h ASN 776 Ca 0.00 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 3kdp h ASN 776 Cb 0.08 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3kdp h ASN 776 CO 0.00 0.63 -0.00 0.40 -1.29 0.00 0.00 177.43 177.17 3kdp h ILE 777 N 0.08 1.19 0.00 2.57 1.08 -1.68 -2.61 117.51 118.14 3kdp h ILE 777 Ca -0.00 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.78 3kdp h ILE 777 Cb 0.99 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.31 3kdp h ILE 777 CO 0.08 0.16 -0.06 -0.81 -0.69 0.00 0.00 178.15 176.82 3kdp n PRO 778 N -4.97 1.10 0.00 2.37 -0.04 -1.25 -2.18 135.00 130.02 3kdp n PRO 778 Ca -0.08 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 3kdp n PRO 778 Cb 0.15 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3kdp n PRO 778 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kdp n GLU 779 N 2.32 0.00 -0.05 0.54 1.02 -1.01 -4.89 120.64 118.57 3kdp n GLU 779 Ca 0.19 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 3kdp n GLU 779 Cb 0.52 -0.36 -0.08 0.00 -0.02 0.00 0.00 31.44 31.50 3kdp n GLU 779 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kdp h ILE 780 N 0.00 1.07 -0.96 -3.67 2.04 -1.14 -3.38 117.51 111.46 3kdp h ILE 780 Ca 0.00 -1.74 0.22 0.00 1.00 0.00 0.00 64.86 64.33 3kdp h ILE 780 Cb 0.00 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 3kdp h ILE 780 CO 0.00 0.35 0.62 0.71 0.00 0.00 0.00 178.15 179.84 3kdp h THR 781 N -0.98 0.65 0.15 -0.27 1.35 -1.77 -1.13 112.91 110.90 3kdp h THR 781 Ca -0.00 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3kdp h THR 781 Cb 0.60 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 3kdp h THR 781 CO 0.00 0.09 -0.22 -0.65 -0.25 0.00 0.00 175.52 174.49 3kdp h PRO 782 N 0.48 -0.37 0.00 4.72 0.11 -1.85 0.17 132.00 135.26 3kdp h PRO 782 Ca 0.53 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3kdp h PRO 782 Cb 1.20 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kdp h PRO 782 CO -0.25 -0.25 0.38 0.74 -0.21 0.00 0.00 178.00 178.41 3kdp h PHE 783 N -0.39 0.00 0.16 0.65 0.04 -1.57 -0.08 116.94 115.75 3kdp h PHE 783 Ca -0.02 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.42 3kdp h PHE 783 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3kdp h PHE 783 CO -0.23 0.00 -1.64 -0.07 -0.60 0.00 0.00 178.31 175.77 3kdp h LEU 784 N 0.00 0.53 0.00 1.54 -0.00 0.18 -3.34 115.31 114.22 3kdp h LEU 784 Ca 0.00 -0.75 -0.20 0.00 -0.00 0.00 0.00 57.88 56.93 3kdp h LEU 784 Cb 0.76 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 3kdp h LEU 784 CO 0.00 1.63 -0.97 0.40 -0.00 0.00 0.00 178.44 179.50 3kdp h ILE 785 N 0.09 1.55 -0.18 1.22 5.03 0.63 -2.93 117.51 122.92 3kdp h ILE 785 Ca -0.29 -3.22 0.05 0.00 -0.12 0.00 0.00 64.86 61.28 3kdp h ILE 785 Cb 2.07 2.76 -0.01 0.00 -3.03 0.00 0.00 36.82 38.62 3kdp h ILE 785 CO 0.18 0.88 0.46 0.15 -0.68 0.00 0.00 178.15 179.14 3kdp h PHE 786 N 0.00 0.00 0.02 1.37 3.57 -1.19 0.54 116.94 121.26 3kdp h PHE 786 Ca -0.02 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.11 3kdp h PHE 786 Cb 1.73 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.41 3kdp h PHE 786 CO 0.00 0.00 -2.28 -0.89 -2.23 0.00 0.00 178.31 172.91 3kdp n ILE 787 N -3.15 1.53 0.00 1.41 2.08 -1.19 -4.22 119.36 115.82 3kdp n ILE 787 Ca 0.02 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.65 3kdp n ILE 787 Cb 0.55 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 3kdp n ILE 787 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kdp n ILE 788 N -3.15 0.00 -1.80 1.39 2.08 0.17 -4.26 119.36 113.79 3kdp n ILE 788 Ca -0.37 0.78 -0.34 0.00 0.56 0.00 0.00 62.75 63.38 3kdp n ILE 788 Cb 1.05 -1.52 -0.02 0.00 -0.75 0.00 0.00 39.64 38.40 3kdp n ILE 788 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kdp n ALA 789 N -0.77 6.51 -0.06 -1.39 0.00 0.10 -4.87 120.51 120.03 3kdp n ALA 789 Ca 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.79 3kdp n ALA 789 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 3kdp n ALA 789 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdp n ASN 790 N 0.67 0.00 -4.92 0.00 4.13 -1.26 -4.06 115.26 109.82 3kdp n ASN 790 Ca 0.53 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.52 3kdp n ASN 790 Cb 0.39 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.64 3kdp n ASN 790 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kdp s ILE 791 N -0.07 4.52 -0.11 2.41 1.01 -1.26 -1.70 121.20 125.99 3kdp s ILE 791 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3kdp s ILE 791 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3kdp s ILE 791 CO 0.00 -0.66 1.46 -2.84 0.00 0.00 0.00 174.94 172.90 3kdp s PRO 792 N -4.73 4.19 -0.53 2.79 0.02 -1.26 -4.55 135.00 130.93 3kdp s PRO 792 Ca 0.48 1.92 -0.38 0.00 0.02 0.00 0.00 61.00 63.04 3kdp s PRO 792 Cb -0.10 -3.88 -0.16 0.00 0.02 0.00 0.00 34.50 30.37 3kdp s PRO 792 CO 0.43 -0.79 2.26 -0.11 -0.33 0.00 0.00 177.00 178.46 3kdp n LEU 793 N 6.92 1.19 -0.03 -5.54 7.94 -1.26 -4.86 117.00 121.36 3kdp n LEU 793 Ca 0.16 0.46 -0.12 0.00 -1.11 0.00 0.00 56.01 55.39 3kdp n LEU 793 Cb 0.44 -1.05 -0.07 0.00 0.53 0.00 0.00 43.42 43.27 3kdp n LEU 793 CO 0.59 -0.79 0.74 -0.65 -1.11 0.00 0.00 177.39 176.17 3kdp h PRO 794 N 11.09 0.19 -5.15 1.96 0.11 -1.90 -3.43 132.00 134.86 3kdp h PRO 794 Ca -0.15 -0.06 -0.67 0.00 0.11 0.00 0.00 66.00 65.22 3kdp h PRO 794 Cb 1.36 -0.02 -0.34 0.00 0.11 0.00 0.00 31.00 32.11 3kdp h PRO 794 CO 1.12 0.44 -0.87 -1.17 -0.21 0.00 0.00 178.00 177.31 3kdp s LEU 795 N -9.54 2.11 0.23 2.35 2.96 -1.26 -2.62 118.68 112.91 3kdp s LEU 795 Ca -0.14 -0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 53.15 3kdp s LEU 795 Cb 0.05 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 3kdp s LEU 795 CO 0.70 0.06 0.41 -0.83 -1.32 0.00 0.00 176.35 175.37 3kdp s GLY 796 N 0.96 1.68 0.04 7.98 0.00 -1.26 -4.68 107.32 112.03 3kdp s GLY 796 Ca -0.03 -0.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.67 3kdp s GLY 796 CO -0.05 -0.83 1.23 -0.84 0.00 0.00 0.00 173.10 172.61 3kdp h THR 797 N 1.40 0.00 -0.12 0.90 2.02 -1.98 0.13 112.91 115.26 3kdp h THR 797 Ca -0.49 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.73 3kdp h THR 797 Cb 1.20 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3kdp h THR 797 CO 0.66 0.00 0.57 1.62 0.37 0.00 0.00 175.52 178.74 3kdp h VAL 798 N -0.42 0.05 -0.01 3.16 3.04 -1.96 1.63 116.25 121.74 3kdp h VAL 798 Ca -0.03 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.47 3kdp h VAL 798 Cb 0.36 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 3kdp h VAL 798 CO -0.03 0.00 -0.84 0.74 -1.01 0.00 0.00 177.57 176.43 3kdp h THR 799 N 0.00 1.45 -0.33 3.17 2.02 -1.08 -3.33 112.91 114.81 3kdp h THR 799 Ca 0.06 -2.46 -0.10 0.00 0.77 0.00 0.00 66.41 64.67 3kdp h THR 799 Cb 1.19 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 3kdp h THR 799 CO -0.00 0.72 -0.18 0.40 0.37 0.00 0.00 175.52 176.84 3kdp h ILE 800 N 0.15 1.29 0.00 3.11 2.04 0.34 -2.70 117.51 121.74 3kdp h ILE 800 Ca -0.04 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3kdp h ILE 800 Cb 1.45 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3kdp h ILE 800 CO 0.13 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.88 3kdp n LEU 801 N -4.33 0.37 0.00 1.44 4.77 -1.18 -0.22 117.00 117.86 3kdp n LEU 801 Ca -0.03 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3kdp n LEU 801 Cb 0.40 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3kdp n LEU 801 CO 0.43 0.06 -0.09 0.00 -1.33 0.00 0.00 177.39 176.47 3kdp n ILE 803 N -0.90 0.00 0.63 0.00 2.08 0.69 -1.65 119.36 120.21 3kdp n ILE 803 Ca 0.00 0.39 0.13 0.00 0.56 0.00 0.00 62.75 63.83 3kdp n ILE 803 Cb 0.00 -1.17 0.40 0.00 -0.75 0.00 0.00 39.64 38.12 3kdp n ILE 803 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3kdp n ASP 804 N -1.67 0.80 -0.00 4.38 5.68 -1.26 0.99 116.55 125.47 3kdp n ASP 804 Ca 0.00 0.56 0.11 0.00 -0.50 0.00 0.00 54.79 54.96 3kdp n ASP 804 Cb 0.00 -0.76 -0.16 0.00 -1.14 0.00 0.00 41.12 39.06 3kdp n ASP 804 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kdp n LEU 805 N -2.25 0.07 0.00 -2.12 4.32 -1.26 -3.51 117.00 112.26 3kdp n LEU 805 Ca 0.06 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 3kdp n LEU 805 Cb 0.43 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3kdp n LEU 805 CO 0.31 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 3kdp n GLY 806 N 1.27 0.54 0.25 -0.72 0.00 -1.11 -4.73 105.19 100.69 3kdp n GLY 806 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 3kdp n GLY 806 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kdp h THR 807 N 0.00 0.79 -0.00 2.61 1.35 -1.10 -3.15 112.91 113.41 3kdp h THR 807 Ca 0.00 -0.17 -0.17 0.00 -0.55 0.00 0.00 66.41 65.52 3kdp h THR 807 Cb 0.00 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 66.65 3kdp h THR 807 CO 0.00 0.09 -0.79 0.44 -0.25 0.00 0.00 175.52 175.01 3kdp h ASP 808 N 0.49 0.00 0.00 5.36 5.19 0.40 -3.36 116.42 124.50 3kdp h ASP 808 Ca 0.34 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3kdp h ASP 808 Cb 0.40 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3kdp h ASP 808 CO -0.30 0.79 0.00 0.23 -3.12 0.00 0.00 179.24 176.84 3kdp n MET 809 N -3.60 0.00 -0.19 3.56 2.81 -1.19 -2.28 117.12 116.23 3kdp n MET 809 Ca -0.01 0.54 -0.02 0.00 -1.81 0.00 0.00 57.70 56.41 3kdp n MET 809 Cb 0.76 -1.09 0.05 0.00 -0.71 0.00 0.00 33.22 32.23 3kdp n MET 809 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3kdp h VAL 810 N 0.00 0.36 -0.48 2.03 2.07 -1.77 0.25 116.25 118.71 3kdp h VAL 810 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3kdp h VAL 810 Cb 0.00 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3kdp h VAL 810 CO 0.00 0.00 0.34 -0.65 0.02 0.00 0.00 177.57 177.28 3kdp h PRO 811 N -0.04 0.12 0.05 1.57 0.11 -1.71 -2.37 132.00 129.74 3kdp h PRO 811 Ca 0.27 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 3kdp h PRO 811 Cb 0.46 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3kdp h PRO 811 CO -0.62 0.08 -0.03 0.00 -0.21 0.00 0.00 178.00 177.23 3kdp h ALA 812 N 1.76 -0.07 -1.86 -0.75 0.00 -0.53 -2.98 119.26 114.83 3kdp h ALA 812 Ca 0.23 -0.30 0.55 0.00 0.00 0.00 0.00 54.91 55.40 3kdp h ALA 812 Cb 0.73 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 3kdp h ALA 812 CO -0.03 -0.12 1.32 0.82 0.00 0.00 0.00 179.25 181.24 3kdp h ILE 813 N -0.92 0.01 0.00 0.00 5.03 -1.21 -0.06 117.51 120.36 3kdp h ILE 813 Ca -0.01 -0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.68 3kdp h ILE 813 Cb 0.61 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.41 3kdp h ILE 813 CO 0.01 0.00 -0.25 0.77 -0.68 0.00 0.00 178.15 178.00 3kdp h SER 814 N 0.00 0.00 -0.16 1.72 4.64 -1.26 -3.08 113.55 115.41 3kdp h SER 814 Ca 0.93 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 62.10 3kdp h SER 814 Cb 3.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 65.67 3kdp h SER 814 CO -0.10 0.25 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.62 3kdp h LEU 815 N 0.00 0.75 -0.71 5.97 -0.00 -1.10 -2.80 115.31 117.42 3kdp h LEU 815 Ca -0.00 -0.35 0.08 0.00 -0.00 0.00 0.00 57.88 57.61 3kdp h LEU 815 Cb 0.94 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 3kdp h LEU 815 CO 0.03 1.07 0.91 0.00 -0.00 0.00 0.00 178.44 180.45 3kdp h ALA 816 N 0.96 2.13 -0.40 1.53 0.00 -1.68 1.26 119.26 123.06 3kdp h ALA 816 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kdp h ALA 816 Cb 0.97 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3kdp h ALA 816 CO 0.09 -1.05 0.07 0.66 0.00 0.00 0.00 179.25 179.02 3kdp n TYR 817 N -2.82 1.41 -3.36 0.00 4.01 -1.05 -4.85 117.16 110.50 3kdp n TYR 817 Ca 0.06 -0.60 -0.40 0.00 -0.16 0.00 0.00 57.90 56.80 3kdp n TYR 817 Cb 1.00 -0.41 -0.09 0.00 -0.31 0.00 0.00 39.34 39.53 3kdp n TYR 817 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3kdp s GLU 818 N -2.10 3.77 1.18 -0.72 0.41 0.43 -4.99 118.70 116.68 3kdp s GLU 818 Ca 0.34 -0.16 -0.17 0.00 -0.41 0.00 0.00 54.97 54.57 3kdp s GLU 818 Cb 0.27 -3.74 0.23 0.00 -1.78 0.00 0.00 34.13 29.11 3kdp s GLU 818 CO 0.09 -0.45 0.48 1.04 -0.49 0.00 0.00 175.26 175.94 3kdp n GLN 819 N 5.44 -2.95 0.00 1.61 6.02 -1.26 -4.99 117.38 121.25 3kdp n GLN 819 Ca -0.08 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 3kdp n GLN 819 Cb 0.50 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3kdp n GLN 819 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kdp n ALA 820 N -4.88 0.00 -1.33 -1.58 0.00 -1.26 -5.04 120.51 106.41 3kdp n ALA 820 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3kdp n ALA 820 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kdp n ALA 820 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kdp n GLU 821 N 0.00 0.00 -3.99 0.00 1.02 -1.26 -5.11 120.64 111.30 3kdp n GLU 821 Ca 0.00 -0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 3kdp n GLU 821 Cb 0.00 -0.33 0.01 0.00 -0.02 0.00 0.00 31.44 31.10 3kdp n GLU 821 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kdp s SER 822 N 0.00 0.00 -1.05 1.62 1.04 -1.26 -5.00 113.70 109.05 3kdp s SER 822 Ca 0.00 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.07 3kdp s SER 822 Cb 0.00 0.09 -0.13 0.00 0.10 0.00 0.00 66.02 66.07 3kdp s SER 822 CO 0.00 -0.17 2.06 -0.62 0.98 0.00 0.00 173.24 175.49 3kdp s ASP 823 N -3.83 4.37 0.22 7.02 -1.08 -1.26 -4.75 116.67 117.35 3kdp s ASP 823 Ca 0.30 -1.05 -0.09 0.00 -0.52 0.00 0.00 52.55 51.19 3kdp s ASP 823 Cb 0.00 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 39.12 3kdp s ASP 823 CO -0.02 -3.69 1.83 0.16 0.52 0.00 0.00 175.17 173.98 3kdp h ILE 824 N 6.73 1.03 0.00 4.11 3.07 -1.97 -1.92 117.51 128.56 3kdp h ILE 824 Ca 0.10 -0.28 -0.01 0.00 1.55 0.00 0.00 64.86 66.22 3kdp h ILE 824 Cb 0.98 0.14 -0.00 0.00 -0.27 0.00 0.00 36.82 37.66 3kdp h ILE 824 CO 1.12 0.15 -0.00 0.23 -1.05 0.00 0.00 178.15 178.60 3kdp n MET 825 N -4.70 0.61 -0.11 0.16 2.81 -1.26 -1.21 117.12 113.41 3kdp n MET 825 Ca 0.09 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3kdp n MET 825 Cb 0.14 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 3kdp n MET 825 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3kdp n LYS 826 N 1.80 0.00 -4.96 0.03 3.00 -0.72 -3.93 118.16 113.38 3kdp n LYS 826 Ca 0.02 -0.45 -0.27 0.00 -0.00 0.00 0.00 58.31 57.61 3kdp n LYS 826 Cb 0.30 -0.37 -0.15 0.00 0.00 0.00 0.00 35.03 34.81 3kdp n LYS 826 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3kdp s ARG 827 N 0.00 1.64 0.78 1.64 1.70 -0.35 -4.97 118.95 119.39 3kdp s ARG 827 Ca 0.00 -0.77 -0.16 0.00 -0.47 0.00 0.00 55.73 54.33 3kdp s ARG 827 Cb 0.00 -1.61 -0.06 0.00 -0.57 0.00 0.00 34.95 32.71 3kdp s ARG 827 CO 0.00 0.44 0.18 1.04 -1.08 0.00 0.00 175.30 175.88 3kdp n GLN 828 N 2.46 0.10 -2.32 3.89 1.13 -1.26 -4.74 117.38 116.63 3kdp n GLN 828 Ca -0.15 0.06 -0.40 0.00 -1.94 0.00 0.00 57.00 54.57 3kdp n GLN 828 Cb 0.53 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 3kdp n GLN 828 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3kdp s PRO 829 N -2.53 4.45 1.07 -1.09 0.02 -1.25 -4.98 135.00 130.68 3kdp s PRO 829 Ca 0.58 1.96 -0.23 0.00 0.02 0.00 0.00 61.00 63.33 3kdp s PRO 829 Cb -0.31 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 3kdp s PRO 829 CO 0.65 -0.01 -0.69 2.89 -0.33 0.00 0.00 177.00 179.51 3kdp n ARG 830 N 0.87 -0.88 -3.62 5.54 1.85 -1.26 -4.96 116.66 114.21 3kdp n ARG 830 Ca 0.00 -0.25 -0.28 0.00 -1.00 0.00 0.00 57.85 56.33 3kdp n ARG 830 Cb 0.44 -1.38 -0.11 0.00 -1.05 0.00 0.00 32.46 30.35 3kdp n ARG 830 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3kdp s ASN 831 N -1.46 2.93 0.00 2.89 2.47 -1.26 -4.88 114.94 115.63 3kdp s ASN 831 Ca 0.47 -3.36 0.00 0.00 0.42 0.00 0.00 52.86 50.39 3kdp s ASN 831 Cb -0.02 -0.95 0.00 0.00 -1.45 0.00 0.00 41.25 38.83 3kdp s ASN 831 CO 0.66 -0.14 0.00 -2.65 -3.72 0.00 0.00 177.10 171.25 3kdp n PRO 832 N 2.54 0.00 -0.06 0.43 -0.02 -1.26 -0.46 135.00 136.16 3kdp n PRO 832 Ca 0.24 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 3kdp n PRO 832 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.82 3kdp n PRO 832 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kdp h LYS 833 N 0.00 -0.00 0.00 -0.52 1.79 -1.99 -3.46 116.57 112.39 3kdp h LYS 833 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kdp h LYS 833 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3kdp h LYS 833 CO 0.00 0.60 0.00 2.41 -1.08 0.00 0.00 179.45 181.38 3kdp n THR 834 N -4.68 0.00 -2.45 -0.16 -1.04 0.39 -4.78 114.28 101.56 3kdp n THR 834 Ca -0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.74 3kdp n THR 834 Cb 0.29 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 67.14 3kdp n THR 834 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kdp n ASP 835 N -2.85 -3.29 -4.11 8.00 8.00 -1.26 -4.62 116.55 116.41 3kdp n ASP 835 Ca 0.00 -0.07 -0.21 0.00 0.71 0.00 0.00 54.79 55.23 3kdp n ASP 835 Cb 0.00 -0.94 0.11 0.00 -0.02 0.00 0.00 41.12 40.28 3kdp n ASP 835 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kdp n LYS 836 N 0.00 -0.17 0.14 -1.24 4.76 -1.26 -4.62 118.16 115.78 3kdp n LYS 836 Ca -0.05 -2.26 -0.11 0.00 -2.87 0.00 0.00 58.31 53.02 3kdp n LYS 836 Cb 0.40 -0.66 -0.07 0.00 -1.84 0.00 0.00 35.03 32.86 3kdp n LYS 836 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3kdp h LEU 837 N 0.00 -0.36 -8.90 -0.35 5.85 -1.93 -3.43 115.31 106.19 3kdp h LEU 837 Ca -0.30 -0.18 -0.64 0.00 0.84 0.00 0.00 57.88 57.60 3kdp h LEU 837 Cb 1.05 0.09 -0.21 0.00 0.37 0.00 0.00 40.66 41.96 3kdp h LEU 837 CO 0.30 0.10 -0.66 -0.69 -0.34 0.00 0.00 178.44 177.15 3kdp s VAL 838 N -3.87 3.94 0.33 1.05 1.01 -1.26 -4.87 120.40 116.74 3kdp s VAL 838 Ca -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3kdp s VAL 838 Cb 0.01 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3kdp s VAL 838 CO 0.43 0.51 0.51 0.54 0.00 0.00 0.00 175.10 177.09 3kdp s ASN 839 N 0.19 0.66 0.13 3.32 4.22 -1.26 -4.91 114.94 117.29 3kdp s ASN 839 Ca -0.02 -1.37 -0.27 0.00 -2.14 0.00 0.00 52.86 49.07 3kdp s ASN 839 Cb -0.14 0.67 -0.07 0.00 1.28 0.00 0.00 41.25 42.99 3kdp s ASN 839 CO 0.03 -1.32 1.45 1.05 -2.04 0.00 0.00 177.10 176.28 3kdp h GLU 840 N 2.13 -0.10 -0.06 3.55 9.09 -1.99 0.62 114.58 127.81 3kdp h GLU 840 Ca -0.29 0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.15 3kdp h GLU 840 Cb 1.24 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3kdp h GLU 840 CO 0.39 -0.07 0.14 1.96 0.05 0.00 0.00 179.01 181.48 3kdp h GLN 841 N -0.11 0.00 0.00 1.06 4.20 -1.88 -1.11 115.11 117.27 3kdp h GLN 841 Ca 0.11 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 3kdp h GLN 841 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3kdp h GLN 841 CO -0.70 0.00 -0.92 1.25 -0.67 0.00 0.00 178.83 177.79 3kdp h LEU 842 N 0.00 0.00 -1.27 1.46 6.46 -0.17 -3.37 115.31 118.42 3kdp h LEU 842 Ca 0.03 -0.56 0.10 0.00 -0.12 0.00 0.00 57.88 57.32 3kdp h LEU 842 Cb 0.31 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 3kdp h LEU 842 CO -0.00 1.32 0.55 0.40 -0.62 0.00 0.00 178.44 180.08 3kdp h ILE 843 N -1.00 0.96 0.00 4.05 1.08 -0.59 0.30 117.51 122.31 3kdp h ILE 843 Ca -0.24 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3kdp h ILE 843 Cb 1.15 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3kdp h ILE 843 CO -0.15 0.15 0.12 -0.24 -0.69 0.00 0.00 178.15 177.34 3kdp n SER 844 N -4.52 0.00 0.00 1.72 2.88 -0.45 -1.68 113.62 111.57 3kdp n SER 844 Ca 0.14 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 3kdp n SER 844 Cb 0.31 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3kdp n SER 844 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3kdp n MET 845 N -1.14 0.00 0.14 -1.46 2.81 0.99 -3.46 117.12 115.01 3kdp n MET 845 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 3kdp n MET 845 Cb 0.12 -0.46 0.15 0.00 -0.71 0.00 0.00 33.22 32.32 3kdp n MET 845 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kdp h ALA 846 N 0.00 0.81 0.00 3.04 0.00 -1.29 -2.19 119.26 119.63 3kdp h ALA 846 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kdp h ALA 846 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kdp h ALA 846 CO 0.00 0.72 -0.55 0.66 0.00 0.00 0.00 179.25 180.08 3kdp n TYR 847 N -3.51 0.00 0.27 0.00 4.02 -0.68 -2.78 117.16 114.49 3kdp n TYR 847 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 3kdp n TYR 847 Cb 0.66 -0.28 0.76 0.00 -0.02 0.00 0.00 39.34 40.47 3kdp n TYR 847 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kdp h GLY 848 N -0.55 0.00 0.00 2.72 0.00 -1.62 -3.28 103.07 100.33 3kdp h GLY 848 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kdp h GLY 848 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 3kdp n GLN 849 N -4.03 0.00 -0.13 4.80 6.02 -1.17 -4.65 117.38 118.22 3kdp n GLN 849 Ca -0.03 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.17 3kdp n GLN 849 Cb 0.13 0.00 0.32 0.00 1.02 0.00 0.00 30.24 31.71 3kdp n GLN 849 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3kdp n ILE 850 N 0.00 0.00 -0.05 5.09 -0.00 -0.83 0.38 119.36 123.95 3kdp n ILE 850 Ca 0.00 1.02 -0.14 0.00 -0.00 0.00 0.00 62.75 63.63 3kdp n ILE 850 Cb 0.00 -1.85 -0.07 0.00 -0.00 0.00 0.00 39.64 37.72 3kdp n ILE 850 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3kdp h GLY 851 N 0.00 0.47 0.96 7.39 0.00 -1.61 -2.64 103.07 107.63 3kdp h GLY 851 Ca 0.36 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3kdp h GLY 851 CO -0.00 0.49 -0.46 -0.33 0.00 0.00 0.00 176.54 176.23 3kdp h MET 852 N 0.04 -1.23 -1.33 4.80 2.86 -0.13 -2.96 114.93 116.97 3kdp h MET 852 Ca 0.01 0.08 0.39 0.00 -2.06 0.00 0.00 59.70 58.13 3kdp h MET 852 Cb 0.84 0.28 -0.09 0.00 0.06 0.00 0.00 31.60 32.69 3kdp h MET 852 CO 0.06 -0.82 0.91 0.82 1.06 0.00 0.00 176.91 178.93 3kdp h ILE 853 N -1.34 0.28 0.00 -1.22 2.04 -1.62 1.35 117.51 117.00 3kdp h ILE 853 Ca -0.13 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3kdp h ILE 853 Cb 0.98 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3kdp h ILE 853 CO 0.22 0.02 -0.22 1.56 0.00 0.00 0.00 178.15 179.72 3kdp h GLN 854 N 0.11 0.00 0.07 2.37 4.20 -1.30 -3.00 115.11 117.56 3kdp h GLN 854 Ca 0.71 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 59.13 3kdp h GLN 854 Cb 2.45 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 30.20 3kdp h GLN 854 CO -0.20 0.22 -1.55 0.00 -0.67 0.00 0.00 178.83 176.63 3kdp h ALA 855 N 1.78 0.31 -1.23 3.87 0.00 0.18 -2.87 119.26 121.30 3kdp h ALA 855 Ca -0.00 -1.25 0.35 0.00 0.00 0.00 0.00 54.91 54.01 3kdp h ALA 855 Cb 0.56 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3kdp h ALA 855 CO 0.03 0.95 0.85 -0.07 0.00 0.00 0.00 179.25 181.01 3kdp h LEU 856 N -0.47 0.15 0.00 0.00 3.38 -1.37 1.40 115.31 118.40 3kdp h LEU 856 Ca -0.37 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3kdp h LEU 856 Cb 1.66 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 3kdp h LEU 856 CO -0.05 0.00 -0.59 1.23 0.09 0.00 0.00 178.44 179.12 3kdp h GLY 857 N 0.12 0.00 1.05 0.83 0.00 -1.59 -3.04 103.07 100.44 3kdp h GLY 857 Ca 0.64 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.64 3kdp h GLY 857 CO -0.13 0.00 -1.66 -1.33 0.00 0.00 0.00 176.54 173.41 3kdp h GLY 858 N 3.94 0.33 0.63 4.60 0.00 0.19 -3.34 103.07 109.43 3kdp h GLY 858 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3kdp h GLY 858 CO 0.01 0.74 -0.11 0.74 0.00 0.00 0.00 176.54 177.92 3kdp h PHE 859 N 0.08 -0.29 -1.44 5.60 0.05 -0.71 -3.32 116.94 116.90 3kdp h PHE 859 Ca -0.30 -0.01 0.42 0.00 3.82 0.00 0.00 57.97 61.90 3kdp h PHE 859 Cb 2.05 0.09 -0.06 0.00 2.00 0.00 0.00 35.95 40.03 3kdp h PHE 859 CO 0.07 0.06 1.20 0.34 -0.18 0.00 0.00 178.31 179.81 3kdp n PHE 860 N -5.07 0.00 -0.08 -0.55 7.35 -1.15 0.58 117.46 118.55 3kdp n PHE 860 Ca -0.09 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.49 3kdp n PHE 860 Cb 0.25 -0.36 -0.15 0.00 0.35 0.00 0.00 39.48 39.57 3kdp n PHE 860 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kdp n THR 861 N -3.44 1.47 -0.30 -2.13 -2.24 -1.25 -2.59 114.28 103.79 3kdp n THR 861 Ca 0.32 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3kdp n THR 861 Cb 1.64 -0.71 0.19 0.00 -2.10 0.00 0.00 70.33 69.34 3kdp n THR 861 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kdp h TYR 862 N 0.00 1.10 0.00 4.78 5.03 0.04 1.09 116.97 129.02 3kdp h TYR 862 Ca -0.48 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.84 3kdp h TYR 862 Cb 2.16 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 40.06 3kdp h TYR 862 CO 0.00 0.67 -0.11 0.74 -1.32 0.00 0.00 178.16 178.15 3kdp h PHE 863 N 1.17 0.00 0.07 -3.82 -1.00 -1.04 -2.76 116.94 109.56 3kdp h PHE 863 Ca 0.34 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.78 3kdp h PHE 863 Cb -0.07 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 3kdp h PHE 863 CO -0.00 0.11 -1.89 0.28 -1.61 0.00 0.00 178.31 175.19 3kdp n VAL 864 N -3.32 1.68 -0.32 -0.55 0.31 -0.13 -3.24 118.33 112.75 3kdp n VAL 864 Ca -0.00 -0.47 0.18 0.00 -0.01 0.00 0.00 64.34 64.04 3kdp n VAL 864 Cb 0.31 -1.79 0.44 0.00 -0.91 0.00 0.00 33.84 31.90 3kdp n VAL 864 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3kdp h ILE 865 N -0.27 0.62 0.15 2.52 1.08 0.11 -0.78 117.51 120.94 3kdp h ILE 865 Ca -0.44 -0.18 -0.31 0.00 -0.39 0.00 0.00 64.86 63.54 3kdp h ILE 865 Cb 1.81 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 3kdp h ILE 865 CO -0.04 0.10 -1.56 -0.07 -0.69 0.00 0.00 178.15 175.89 3kdp h LEU 866 N 0.53 0.50 -0.23 1.44 3.38 -1.64 -3.24 115.31 116.05 3kdp h LEU 866 Ca 0.57 -0.90 -0.17 0.00 0.09 0.00 0.00 57.88 57.47 3kdp h LEU 866 Cb 1.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3kdp h LEU 866 CO -0.31 1.70 -0.51 0.00 0.09 0.00 0.00 178.44 179.41 3kdp h ALA 867 N 0.03 0.37 0.00 1.53 0.00 -1.51 0.82 119.26 120.51 3kdp h ALA 867 Ca -0.32 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3kdp h ALA 867 Cb 1.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3kdp h ALA 867 CO 0.12 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.31 3kdp n GLU 868 N -4.11 0.06 0.00 0.00 1.02 -0.31 -0.64 120.64 116.66 3kdp n GLU 868 Ca -0.05 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3kdp n GLU 868 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3kdp n GLU 868 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kdp n ASN 869 N -1.16 1.15 0.00 1.62 5.15 -0.78 -5.05 115.26 116.18 3kdp n ASN 869 Ca 0.02 -1.51 0.00 0.00 -0.60 0.00 0.00 54.58 52.48 3kdp n ASN 869 Cb 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 3kdp n ASN 869 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdp n GLY 870 N -0.26 2.29 3.38 8.20 0.00 0.19 -5.00 105.19 113.99 3kdp n GLY 870 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3kdp n GLY 870 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdp n PHE 871 N 0.00 0.12 -1.51 1.61 3.01 -0.16 -4.46 117.46 116.07 3kdp n PHE 871 Ca 0.00 -0.33 -0.53 0.00 1.01 0.00 0.00 57.45 57.60 3kdp n PHE 871 Cb 0.00 -0.91 -0.06 0.00 -0.01 0.00 0.00 39.48 38.51 3kdp n PHE 871 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kdp n LEU 872 N 9.11 0.27 -0.04 4.37 4.77 -1.26 -3.67 117.00 130.55 3kdp n LEU 872 Ca 0.34 1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 57.46 3kdp n LEU 872 Cb 0.39 -1.03 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 3kdp n LEU 872 CO 0.89 -1.92 0.33 -2.65 -1.33 0.00 0.00 177.39 172.71 3kdp n PRO 873 N 1.53 -0.05 -0.33 3.23 -0.02 -1.26 -1.66 135.00 136.44 3kdp n PRO 873 Ca 0.18 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.50 3kdp n PRO 873 Cb 0.17 -1.06 0.35 0.00 -0.02 0.00 0.00 33.50 32.94 3kdp n PRO 873 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kdp h ILE 874 N 0.00 0.73 0.00 4.25 5.03 -2.01 0.59 117.51 126.11 3kdp h ILE 874 Ca 0.02 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 3kdp h ILE 874 Cb 0.04 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 33.77 3kdp h ILE 874 CO -0.10 0.13 0.00 1.41 -0.68 0.00 0.00 178.15 178.92 3kdp n HIS 875 N -4.69 0.00 -0.06 1.37 8.25 -0.67 -0.51 115.22 118.92 3kdp n HIS 875 Ca 0.22 -0.01 -0.06 0.00 -0.26 0.00 0.00 57.72 57.61 3kdp n HIS 875 Cb 0.57 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 3kdp n HIS 875 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kdp n LEU 876 N 0.35 0.02 -2.99 2.41 4.77 0.21 -4.71 117.00 117.06 3kdp n LEU 876 Ca 0.00 -0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3kdp n LEU 876 Cb 0.09 0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3kdp n LEU 876 CO 0.00 0.31 1.30 0.18 -1.33 0.00 0.00 177.39 177.85 3kdp n LEU 877 N -2.46 1.30 0.00 2.23 4.77 0.34 -1.61 117.00 121.57 3kdp n LEU 877 Ca -0.20 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 3kdp n LEU 877 Cb 0.90 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3kdp n LEU 877 CO 0.26 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.25 3kdp n GLY 878 N 3.84 0.16 0.35 -0.72 0.00 -1.23 -4.86 105.19 102.73 3kdp n GLY 878 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3kdp n GLY 878 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kdp h LEU 879 N 0.00 -0.72 -0.80 0.99 3.38 -1.30 -2.91 115.31 113.95 3kdp h LEU 879 Ca 0.00 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.34 3kdp h LEU 879 Cb 0.00 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 3kdp h LEU 879 CO 0.00 -0.35 -0.47 -2.11 0.09 0.00 0.00 178.44 175.60 3kdp n ARG 880 N -5.57 -0.35 -0.35 1.13 1.85 -0.69 0.20 116.66 112.88 3kdp n ARG 880 Ca 0.20 1.21 0.06 0.00 -1.00 0.00 0.00 57.85 58.32 3kdp n ARG 880 Cb 0.63 -1.79 0.13 0.00 -1.05 0.00 0.00 32.46 30.39 3kdp n ARG 880 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3kdp n VAL 881 N -5.01 -0.42 -0.08 8.89 0.24 -1.10 -0.64 118.33 120.21 3kdp n VAL 881 Ca 0.02 2.25 -0.18 0.00 -2.04 0.00 0.00 64.34 64.39 3kdp n VAL 881 Cb 0.21 -3.11 -0.12 0.00 -1.47 0.00 0.00 33.84 29.35 3kdp n VAL 881 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3kdp h ASN 882 N 0.00 0.02 -0.79 -1.34 2.35 0.39 -3.39 115.58 112.83 3kdp h ASN 882 Ca 0.47 -0.79 0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3kdp h ASN 882 Cb 0.71 -0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.97 3kdp h ASN 882 CO -1.01 1.23 -0.57 -0.25 -1.65 0.00 0.00 177.43 175.18 3kdp h TRP 883 N -0.97 -1.81 0.00 1.19 2.91 0.40 0.68 115.95 118.35 3kdp h TRP 883 Ca -0.16 0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.97 3kdp h TRP 883 Cb 1.16 0.89 0.00 0.00 -0.51 0.00 0.00 29.16 30.71 3kdp h TRP 883 CO 0.20 -0.41 0.00 -0.25 -1.03 0.00 0.00 178.44 176.94 3kdp n ASP 884 N -5.30 0.00 -4.70 2.65 8.00 0.19 -4.68 116.55 112.71 3kdp n ASP 884 Ca 0.00 0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 3kdp n ASP 884 Cb 0.29 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3kdp n ASP 884 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kdp s ASP 885 N -2.33 7.19 0.00 -2.24 -1.08 0.24 -4.92 116.67 113.53 3kdp s ASP 885 Ca 0.00 1.71 0.28 0.00 -0.52 0.00 0.00 52.55 54.02 3kdp s ASP 885 Cb 0.00 -2.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.31 3kdp s ASP 885 CO 0.00 -0.45 1.94 -1.14 0.52 0.00 0.00 175.17 176.04 3kdp n ARG 886 N 4.70 1.30 -0.04 4.34 0.63 -1.26 -3.69 116.66 122.64 3kdp n ARG 886 Ca 0.09 -0.44 -0.05 0.00 -0.92 0.00 0.00 57.85 56.53 3kdp n ARG 886 Cb 0.48 -1.46 -0.05 0.00 0.45 0.00 0.00 32.46 31.88 3kdp n ARG 886 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3kdp n TRP 887 N -0.44 0.00 -0.97 -0.14 5.03 -1.26 -4.79 117.44 114.87 3kdp n TRP 887 Ca 0.20 0.00 -0.40 0.00 3.03 0.00 0.00 57.50 60.33 3kdp n TRP 887 Cb 0.21 -0.35 -0.06 0.00 -1.03 0.00 0.00 31.31 30.08 3kdp n TRP 887 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 3kdp n ILE 888 N -2.55 1.55 1.12 -0.99 5.41 -1.24 -4.64 119.36 118.03 3kdp n ILE 888 Ca -0.14 -1.28 0.07 0.00 1.00 0.00 0.00 62.75 62.39 3kdp n ILE 888 Cb 0.70 -2.23 0.40 0.00 -0.71 0.00 0.00 39.64 37.80 3kdp n ILE 888 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kdp n ASN 889 N 7.28 0.00 -3.31 4.38 3.02 -1.26 -4.23 115.26 121.14 3kdp n ASN 889 Ca 0.47 -0.70 -0.26 0.00 -0.03 0.00 0.00 54.58 54.06 3kdp n ASN 889 Cb 0.37 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.46 3kdp n ASN 889 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3kdp n ASP 890 N -0.88 2.54 -4.29 6.41 5.75 -1.22 -2.79 116.55 122.06 3kdp n ASP 890 Ca 0.10 -3.20 -0.33 0.00 -0.01 0.00 0.00 54.79 51.35 3kdp n ASP 890 Cb 0.05 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.33 3kdp n ASP 890 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kdp s VAL 891 N -2.16 2.77 0.26 2.12 1.01 -1.21 -4.89 120.40 118.30 3kdp s VAL 891 Ca 0.39 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 3kdp s VAL 891 Cb 0.17 -2.17 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 3kdp s VAL 891 CO -0.05 0.52 1.64 -1.61 0.00 0.00 0.00 175.10 175.59 3kdp s GLU 892 N 0.68 4.13 0.00 2.72 2.02 -1.26 -3.16 118.70 123.83 3kdp s GLU 892 Ca -0.07 2.58 0.00 0.00 0.02 0.00 0.00 54.97 57.50 3kdp s GLU 892 Cb -0.16 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.03 3kdp s GLU 892 CO 0.02 -0.67 0.00 -0.40 0.02 0.00 0.00 175.26 174.23 3kdp n ASP 893 N 2.85 0.00 -0.17 -0.19 3.85 -1.04 -4.99 116.55 116.87 3kdp n ASP 893 Ca 0.11 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.27 3kdp n ASP 893 Cb 0.37 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 40.26 3kdp n ASP 893 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kdp n SER 894 N 0.00 1.97 0.00 -1.12 7.64 -1.26 -4.72 113.62 116.12 3kdp n SER 894 Ca 0.00 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.92 3kdp n SER 894 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3kdp n SER 894 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kdp n TYR 895 N -1.20 0.00 0.00 1.43 4.01 -1.26 -4.98 117.16 115.16 3kdp n TYR 895 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3kdp n TYR 895 Cb 0.66 0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 3kdp n TYR 895 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdp n GLY 896 N 1.73 1.53 3.33 2.72 0.00 -1.26 -5.12 105.19 108.11 3kdp n GLY 896 Ca 0.00 -0.09 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 3kdp n GLY 896 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kdp n GLN 897 N 0.00 0.00 -3.86 1.61 6.02 -1.26 -4.47 117.38 115.42 3kdp n GLN 897 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3kdp n GLN 897 Cb 0.00 -1.14 -0.13 0.00 1.02 0.00 0.00 30.24 29.99 3kdp n GLN 897 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kdp s GLN 898 N -0.63 3.30 -0.04 -1.09 -0.21 -1.26 -2.48 119.66 117.24 3kdp s GLN 898 Ca 0.71 -0.69 -0.03 0.00 0.02 0.00 0.00 55.36 55.37 3kdp s GLN 898 Cb -1.02 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 29.82 3kdp s GLN 898 CO 0.55 -0.27 0.14 -1.58 -2.12 0.00 0.00 175.29 172.00 3kdp s TRP 899 N 1.49 3.49 0.00 0.91 0.52 -1.19 -4.81 118.94 119.35 3kdp s TRP 899 Ca 0.05 0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.53 3kdp s TRP 899 Cb -0.15 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.33 3kdp s TRP 899 CO -0.01 0.64 0.00 0.25 0.02 0.00 0.00 176.95 177.85 3kdp n THR 900 N 1.37 0.00 0.00 2.01 -2.24 -1.12 -3.34 114.28 110.96 3kdp n THR 900 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kdp n THR 900 Cb 0.53 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3kdp n THR 900 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdp n TYR 901 N -0.00 0.00 0.15 4.78 9.36 -1.26 -3.87 117.16 126.31 3kdp n TYR 901 Ca 0.00 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.37 3kdp n TYR 901 Cb 0.00 0.00 0.48 0.00 -0.63 0.00 0.00 39.34 39.19 3kdp n TYR 901 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3kdp h GLU 902 N 0.00 0.00 -0.01 2.98 4.39 -1.97 0.40 114.58 120.37 3kdp h GLU 902 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kdp h GLU 902 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kdp h GLU 902 CO 0.00 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 179.81 3kdp h GLN 903 N 0.00 0.02 0.22 2.33 4.20 -1.95 -2.57 115.11 117.35 3kdp h GLN 903 Ca 0.16 -0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.54 3kdp h GLN 903 Cb 1.69 -0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.50 3kdp h GLN 903 CO -0.00 0.28 -1.50 0.07 -0.67 0.00 0.00 178.83 177.01 3kdp h ARG 904 N -0.25 0.47 -0.28 1.46 0.11 -0.36 -3.33 114.38 112.19 3kdp h ARG 904 Ca 0.00 -0.80 0.05 0.00 0.10 0.00 0.00 59.98 59.33 3kdp h ARG 904 Cb 0.28 0.30 -0.05 0.00 1.11 0.00 0.00 29.97 31.61 3kdp h ARG 904 CO 0.00 1.38 -0.03 0.87 0.10 0.00 0.00 179.97 182.29 3kdp h LYS 905 N 0.13 0.04 0.00 0.08 1.79 -1.37 0.58 116.57 117.81 3kdp h LYS 905 Ca -0.26 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3kdp h LYS 905 Cb 2.13 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.77 3kdp h LYS 905 CO 0.25 0.03 0.16 -0.89 -1.08 0.00 0.00 179.45 177.91 3kdp n ILE 906 N -5.19 0.91 -0.06 1.86 2.08 -0.97 0.25 119.36 118.23 3kdp n ILE 906 Ca -0.01 0.38 -0.05 0.00 0.56 0.00 0.00 62.75 63.64 3kdp n ILE 906 Cb 0.15 -1.38 -0.13 0.00 -0.75 0.00 0.00 39.64 37.53 3kdp n ILE 906 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3kdp n VAL 907 N -1.18 0.87 0.28 1.39 0.31 0.18 -3.46 118.33 116.73 3kdp n VAL 907 Ca 0.00 -0.62 -0.16 0.00 -0.01 0.00 0.00 64.34 63.55 3kdp n VAL 907 Cb 0.16 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.56 3kdp n VAL 907 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kdp h GLU 908 N 0.00 -0.65 -0.85 5.55 4.81 0.55 0.27 114.58 124.26 3kdp h GLU 908 Ca -0.35 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 3kdp h GLU 908 Cb 1.74 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 31.22 3kdp h GLU 908 CO 0.02 -0.40 0.56 0.74 -0.73 0.00 0.00 179.01 179.21 3kdp h PHE 909 N -0.76 1.05 0.00 0.92 0.04 -0.36 2.89 116.94 120.72 3kdp h PHE 909 Ca -0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3kdp h PHE 909 Cb 0.55 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3kdp h PHE 909 CO -0.02 0.63 0.00 1.15 -0.60 0.00 0.00 178.31 179.47 3kdp h THR 910 N 1.10 0.00 0.19 -1.55 2.02 -1.50 -1.14 112.91 112.03 3kdp h THR 910 Ca 0.33 -0.03 -0.35 0.00 0.77 0.00 0.00 66.41 67.13 3kdp h THR 910 Cb -0.04 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3kdp h THR 910 CO -0.09 0.00 -1.74 0.00 0.37 0.00 0.00 175.52 174.06 3kdp n HIS 912 N -3.59 0.00 -0.08 0.00 8.25 -0.19 -2.02 115.22 117.59 3kdp n HIS 912 Ca -0.24 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.28 3kdp n HIS 912 Cb 1.08 -0.10 0.10 0.00 1.12 0.00 0.00 29.99 32.19 3kdp n HIS 912 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kdp n THR 913 N -1.14 -0.02 -0.32 1.59 -1.04 -0.48 0.32 114.28 113.18 3kdp n THR 913 Ca 0.00 0.23 0.02 0.00 -2.04 0.00 0.00 64.05 62.27 3kdp n THR 913 Cb 0.00 -0.39 0.03 0.00 -1.82 0.00 0.00 70.33 68.15 3kdp n THR 913 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3kdp n PRO 914 N -2.66 2.42 -0.02 -2.82 -0.05 -1.11 -3.72 135.00 127.04 3kdp n PRO 914 Ca 0.06 -1.67 -0.11 0.00 -0.05 0.00 0.00 63.50 61.73 3kdp n PRO 914 Cb 0.24 -1.07 -0.09 0.00 -0.05 0.00 0.00 33.50 32.53 3kdp n PRO 914 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 175.50 175.80 3kdp h PHE 915 N 0.00 -0.06 0.00 0.54 -0.00 0.57 -2.77 116.94 115.22 3kdp h PHE 915 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3kdp h PHE 915 Cb 0.65 0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.62 3kdp h PHE 915 CO 0.00 0.55 0.41 0.34 -0.00 0.00 0.00 178.31 179.61 3kdp n PHE 916 N -4.76 0.05 -0.05 0.41 -0.00 -0.55 -1.17 117.46 111.39 3kdp n PHE 916 Ca -0.08 0.02 -0.07 0.00 -0.00 0.00 0.00 57.45 57.33 3kdp n PHE 916 Cb 0.31 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.48 39.60 3kdp n PHE 916 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3kdp n VAL 917 N -1.31 1.38 0.07 -2.13 0.31 -1.22 -3.71 118.33 111.73 3kdp n VAL 917 Ca -0.00 0.19 0.18 0.00 -0.01 0.00 0.00 64.34 64.69 3kdp n VAL 917 Cb 0.41 -2.07 0.46 0.00 -0.91 0.00 0.00 33.84 31.73 3kdp n VAL 917 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3kdp h THR 918 N -0.67 0.08 -0.03 2.52 1.35 -1.11 1.40 112.91 116.45 3kdp h THR 918 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.76 3kdp h THR 918 Cb 0.73 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3kdp h THR 918 CO -0.02 0.00 -0.23 0.40 -0.25 0.00 0.00 175.52 175.42 3kdp h ILE 919 N 0.00 1.48 -0.03 6.82 1.08 -1.35 -0.48 117.51 125.04 3kdp h ILE 919 Ca 0.23 -1.75 -0.06 0.00 -0.39 0.00 0.00 64.86 62.89 3kdp h ILE 919 Cb 1.95 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 38.21 3kdp h ILE 919 CO -0.00 0.48 -0.28 0.58 -0.69 0.00 0.00 178.15 178.24 3kdp h VAL 920 N -0.38 1.22 0.01 1.67 2.07 0.11 -2.17 116.25 118.78 3kdp h VAL 920 Ca -0.02 -1.03 -0.24 0.00 0.82 0.00 0.00 66.70 66.24 3kdp h VAL 920 Cb 0.91 1.52 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3kdp h VAL 920 CO 0.05 0.30 -0.98 0.58 0.02 0.00 0.00 177.57 177.53 3kdp h VAL 921 N 0.04 1.38 -0.05 2.57 2.07 0.13 -3.07 116.25 119.33 3kdp h VAL 921 Ca 0.01 -2.43 -0.10 0.00 0.82 0.00 0.00 66.70 64.99 3kdp h VAL 921 Cb 0.53 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3kdp h VAL 921 CO 0.04 0.73 -0.44 -0.37 0.02 0.00 0.00 177.57 177.55 3kdp h VAL 922 N 0.26 1.32 0.00 2.57 -1.51 -1.01 -3.08 116.25 114.80 3kdp h VAL 922 Ca -0.10 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 3kdp h VAL 922 Cb 1.63 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.57 3kdp h VAL 922 CO 0.18 0.46 0.00 0.00 -1.23 0.00 0.00 177.57 176.97 3kdp n GLN 923 N -4.00 0.08 0.09 5.19 1.13 -0.82 -1.78 117.38 117.27 3kdp n GLN 923 Ca -0.02 0.44 -0.04 0.00 -1.94 0.00 0.00 57.00 55.45 3kdp n GLN 923 Cb 0.48 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 3kdp n GLN 923 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 3kdp h TRP 924 N 0.00 -0.22 -1.38 1.08 6.55 -1.55 0.28 115.95 120.71 3kdp h TRP 924 Ca 0.00 -0.01 0.41 0.00 0.95 0.00 0.00 58.89 60.25 3kdp h TRP 924 Cb 0.17 0.07 -0.09 0.00 -0.86 0.00 0.00 29.16 28.45 3kdp h TRP 924 CO 0.00 -0.14 0.94 0.00 -1.05 0.00 0.00 178.44 178.19 3kdp h ALA 925 N -1.81 2.97 0.25 1.49 0.00 -1.62 -2.03 119.26 118.51 3kdp h ALA 925 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kdp h ALA 925 Cb 0.18 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kdp h ALA 925 CO 0.04 -1.48 -0.12 0.22 0.00 0.00 0.00 179.25 177.91 3kdp h ASP 926 N 0.10 -0.28 0.00 0.00 3.58 -1.25 -3.10 116.42 115.47 3kdp h ASP 926 Ca 0.75 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.21 3kdp h ASP 926 Cb 2.57 0.07 0.00 0.00 1.72 0.00 0.00 39.33 43.69 3kdp h ASP 926 CO -0.22 0.11 0.27 -0.11 -2.88 0.00 0.00 179.24 176.41 3kdp n LEU 927 N -4.65 0.04 -0.10 2.28 7.94 0.97 -0.07 117.00 123.41 3kdp n LEU 927 Ca -0.04 0.29 0.06 0.00 -1.11 0.00 0.00 56.01 55.20 3kdp n LEU 927 Cb 0.13 -0.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.77 3kdp n LEU 927 CO 0.10 -0.30 0.07 0.52 -1.11 0.00 0.00 177.39 176.67 3kdp n VAL 928 N -1.37 0.00 0.02 1.96 0.31 -0.92 -4.26 118.33 114.08 3kdp n VAL 928 Ca -0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3kdp n VAL 928 Cb 0.28 1.05 -0.00 0.00 -0.91 0.00 0.00 33.84 34.26 3kdp n VAL 928 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3kdp n ILE 929 N -0.88 0.00 -0.02 2.52 -6.64 0.90 -4.16 119.36 111.09 3kdp n ILE 929 Ca 0.03 -0.49 -0.02 0.00 -1.77 0.00 0.00 62.75 60.50 3kdp n ILE 929 Cb 0.21 1.00 0.16 0.00 -1.44 0.00 0.00 39.64 39.58 3kdp n ILE 929 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kdp n LYS 931 N 0.09 0.63 -4.40 0.00 4.81 -1.26 -4.63 118.16 113.39 3kdp n LYS 931 Ca 0.20 0.21 -0.21 0.00 -0.87 0.00 0.00 58.31 57.64 3kdp n LYS 931 Cb 0.86 -1.52 -0.10 0.00 0.02 0.00 0.00 35.03 34.29 3kdp n LYS 931 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3kdp s THR 932 N -2.51 1.95 0.00 3.15 -1.32 -1.25 -5.03 115.64 110.62 3kdp s THR 932 Ca -0.36 -2.25 0.00 0.00 -1.21 0.00 0.00 61.69 57.87 3kdp s THR 932 Cb 0.11 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 3kdp s THR 932 CO 0.56 -0.47 0.69 0.54 -2.21 0.00 0.00 174.62 173.74 3kdp n ARG 933 N -0.50 1.29 0.00 7.08 1.74 -1.26 -4.86 116.66 120.14 3kdp n ARG 933 Ca -0.07 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 3kdp n ARG 933 Cb 0.61 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.26 3kdp n ARG 933 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3kdp n ARG 934 N -0.23 0.00 -2.85 5.56 0.63 -1.26 -4.91 116.66 113.60 3kdp n ARG 934 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 3kdp n ARG 934 Cb 0.31 -0.22 -0.05 0.00 0.45 0.00 0.00 32.46 32.95 3kdp n ARG 934 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3kdp s ASN 935 N -1.47 7.35 0.77 6.15 0.01 -1.26 -4.78 114.94 121.70 3kdp s ASN 935 Ca 0.00 1.61 -0.15 0.00 -0.71 0.00 0.00 52.86 53.61 3kdp s ASN 935 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 3kdp s ASN 935 CO 0.00 -0.04 0.64 -0.24 -1.51 0.00 0.00 177.10 175.94 3kdp n SER 936 N 2.90 -0.89 0.15 -1.22 2.88 -1.26 -4.79 113.62 111.38 3kdp n SER 936 Ca 0.00 0.56 0.12 0.00 -1.33 0.00 0.00 58.87 58.23 3kdp n SER 936 Cb 0.50 -1.27 0.52 0.00 -0.75 0.00 0.00 64.21 63.21 3kdp n SER 936 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3kdp h VAL 937 N -0.59 0.00 0.00 2.46 2.07 -1.94 -0.74 116.25 117.51 3kdp h VAL 937 Ca -0.45 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kdp h VAL 937 Cb 1.33 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3kdp h VAL 937 CO 0.42 0.00 -0.38 0.49 0.02 0.00 0.00 177.57 178.12 3kdp n PHE 938 N -2.32 0.32 -0.02 1.57 3.72 -1.26 0.59 117.46 120.07 3kdp n PHE 938 Ca 0.02 0.09 -0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3kdp n PHE 938 Cb 0.22 -0.53 -0.14 0.00 -0.94 0.00 0.00 39.48 38.08 3kdp n PHE 938 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kdp n GLN 939 N -1.81 0.69 -0.04 -1.08 6.02 -0.34 -4.47 117.38 116.35 3kdp n GLN 939 Ca 0.05 0.27 0.02 0.00 -0.01 0.00 0.00 57.00 57.33 3kdp n GLN 939 Cb 0.39 -1.74 -0.13 0.00 1.02 0.00 0.00 30.24 29.77 3kdp n GLN 939 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3kdp n GLN 940 N -3.21 0.90 -0.60 -1.09 -0.06 -0.86 -4.99 117.38 107.47 3kdp n GLN 940 Ca -0.24 -0.09 0.08 0.00 -2.00 0.00 0.00 57.00 54.75 3kdp n GLN 940 Cb 1.05 -1.41 -0.02 0.00 -4.06 0.00 0.00 30.24 25.81 3kdp n GLN 940 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kdp n GLY 941 N 1.74 -1.90 2.40 1.69 0.00 0.20 -4.57 105.19 104.76 3kdp n GLY 941 Ca -0.13 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 3kdp n GLY 941 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kdp n MET 942 N -2.37 3.38 0.00 1.61 0.00 -1.26 -4.78 117.12 113.70 3kdp n MET 942 Ca 0.00 -4.27 0.06 0.00 0.00 0.00 0.00 57.70 53.49 3kdp n MET 942 Cb 0.27 -2.26 0.36 0.00 0.00 0.00 0.00 33.22 31.59 3kdp n MET 942 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3kdp n LYS 943 N -0.56 0.67 -2.50 0.03 5.02 -1.26 -4.59 118.16 114.96 3kdp n LYS 943 Ca 0.43 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.32 3kdp n LYS 943 Cb 0.70 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 3kdp n LYS 943 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kdp s ASN 944 N -1.71 6.49 0.00 4.39 3.84 -1.26 -4.81 114.94 121.88 3kdp s ASN 944 Ca 0.18 -1.96 0.00 0.00 0.21 0.00 0.00 52.86 51.30 3kdp s ASN 944 Cb 0.08 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 3kdp s ASN 944 CO 0.14 -1.52 0.35 0.29 -2.79 0.00 0.00 177.10 173.57 3kdp n LYS 945 N 8.58 0.49 0.00 0.43 4.76 -1.26 -1.92 118.16 129.24 3kdp n LYS 945 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 3kdp n LYS 945 Cb 0.48 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 3kdp n LYS 945 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3kdp n ILE 946 N 0.47 0.00 -0.24 -0.18 0.00 -1.26 -4.59 119.36 113.56 3kdp n ILE 946 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 62.75 62.75 3kdp n ILE 946 Cb 0.18 -0.58 0.12 0.00 0.00 0.00 0.00 39.64 39.35 3kdp n ILE 946 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kdp h LEU 947 N 0.00 0.55 -0.78 9.51 6.46 -1.63 0.63 115.31 130.05 3kdp h LEU 947 Ca 0.00 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 57.91 3kdp h LEU 947 Cb 0.48 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.26 3kdp h LEU 947 CO 0.00 0.34 0.41 0.40 -0.62 0.00 0.00 178.44 178.97 3kdp h ILE 948 N 0.69 0.83 -0.37 4.05 2.04 -1.79 -1.20 117.51 121.76 3kdp h ILE 948 Ca 0.33 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3kdp h ILE 948 Cb 0.25 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3kdp h ILE 948 CO -0.21 0.12 0.21 0.15 0.00 0.00 0.00 178.15 178.42 3kdp h PHE 949 N 0.66 0.40 -0.78 1.37 3.57 -1.19 -1.82 116.94 119.14 3kdp h PHE 949 Ca 0.39 0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.09 3kdp h PHE 949 Cb 0.44 -0.13 -0.12 0.00 2.79 0.00 0.00 35.95 38.93 3kdp h PHE 949 CO -0.09 0.23 0.15 0.78 -2.23 0.00 0.00 178.31 177.15 3kdp h GLY 950 N 0.44 1.07 0.00 2.40 0.00 0.04 0.14 103.07 107.15 3kdp h GLY 950 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3kdp h GLY 950 CO -0.07 -0.27 0.00 1.04 0.00 0.00 0.00 176.54 177.24 3kdp n LEU 951 N -5.22 0.00 -0.33 3.11 4.77 -0.74 0.25 117.00 118.84 3kdp n LEU 951 Ca 0.16 0.63 0.25 0.00 -0.03 0.00 0.00 56.01 57.02 3kdp n LEU 951 Cb 0.52 -0.13 0.48 0.00 -2.33 0.00 0.00 43.42 41.96 3kdp n LEU 951 CO 0.09 -0.13 0.97 -0.26 -1.33 0.00 0.00 177.39 176.73 3kdp h PHE 952 N 0.00 0.52 0.00 -1.77 -1.00 -0.94 -1.35 116.94 112.40 3kdp h PHE 952 Ca 0.00 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3kdp h PHE 952 Cb 0.00 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.50 3kdp h PHE 952 CO -0.05 -0.45 0.00 -1.91 -1.61 0.00 0.00 178.31 174.29 3kdp n GLU 953 N -5.33 0.00 0.00 1.51 0.00 0.45 -2.06 120.64 115.21 3kdp n GLU 953 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.48 3kdp n GLU 953 Cb 1.08 -0.94 0.00 0.00 0.00 0.00 0.00 31.44 31.58 3kdp n GLU 953 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3kdp n GLU 954 N -0.47 0.00 -0.07 5.31 2.13 0.14 -0.27 120.64 127.40 3kdp n GLU 954 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3kdp n GLU 954 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 3kdp n GLU 954 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3kdp h THR 955 N 0.00 0.00 -0.39 6.31 2.02 -1.41 -2.51 112.91 116.94 3kdp h THR 955 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3kdp h THR 955 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3kdp h THR 955 CO 0.00 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.10 3kdp h ALA 956 N -0.65 1.65 -0.19 6.16 0.00 -0.05 -1.16 119.26 125.03 3kdp h ALA 956 Ca 0.04 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kdp h ALA 956 Cb 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3kdp h ALA 956 CO -0.31 0.30 -0.30 1.25 0.00 0.00 0.00 179.25 180.19 3kdp h LEU 957 N 0.53 -0.94 -0.08 0.00 6.46 -0.38 -0.59 115.31 120.31 3kdp h LEU 957 Ca 0.14 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 3kdp h LEU 957 Cb 0.01 0.42 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 3kdp h LEU 957 CO -0.02 -0.33 -0.40 0.00 -0.62 0.00 0.00 178.44 177.06 3kdp h ALA 958 N 0.56 -0.79 -0.59 1.25 0.00 -0.79 0.34 119.26 119.25 3kdp h ALA 958 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kdp h ALA 958 Cb 0.52 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3kdp h ALA 958 CO -0.38 -0.93 -0.35 0.00 0.00 0.00 0.00 179.25 177.59 3kdp n ALA 959 N -2.88 -0.38 -0.34 0.00 0.00 -1.03 -0.08 120.51 115.80 3kdp n ALA 959 Ca -0.05 0.50 0.10 0.00 0.00 0.00 0.00 53.44 53.99 3kdp n ALA 959 Cb 0.28 0.06 0.27 0.00 0.00 0.00 0.00 19.45 20.06 3kdp n ALA 959 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kdp h PHE 960 N 0.00 1.01 0.00 0.00 3.57 -0.07 1.17 116.94 122.61 3kdp h PHE 960 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kdp h PHE 960 Cb 0.24 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3kdp h PHE 960 CO -0.88 0.28 0.00 -0.11 -2.23 0.00 0.00 178.31 175.37 3kdp n LEU 961 N -4.76 0.00 0.00 0.59 7.94 0.11 -2.84 117.00 118.04 3kdp n LEU 961 Ca 0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 3kdp n LEU 961 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 3kdp n LEU 961 CO 0.23 0.00 0.04 -0.24 -1.11 0.00 0.00 177.39 176.31 3kdp n SER 962 N -0.85 0.17 0.00 1.96 2.88 0.40 -4.80 113.62 113.39 3kdp n SER 962 Ca 0.05 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 3kdp n SER 962 Cb 0.02 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 3kdp n SER 962 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3kdp n TYR 963 N -0.07 0.00 -1.74 0.66 4.02 -0.71 -2.22 117.16 117.11 3kdp n TYR 963 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3kdp n TYR 963 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 3kdp n TYR 963 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kdp n PRO 965 N 3.55 0.57 0.00 0.00 -0.02 -1.26 -2.72 135.00 135.13 3kdp n PRO 965 Ca 0.14 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 3kdp n PRO 965 Cb 0.36 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.59 3kdp n PRO 965 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdp n GLY 966 N 6.48 1.73 0.38 -1.23 0.00 -1.26 -4.99 105.19 106.28 3kdp n GLY 966 Ca 0.48 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.57 3kdp n GLY 966 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kdp h MET 967 N 0.00 0.00 0.38 1.61 2.86 -1.76 -0.10 114.93 117.92 3kdp h MET 967 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kdp h MET 967 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3kdp h MET 967 CO 0.00 0.00 -0.18 0.78 1.06 0.00 0.00 176.91 178.57 3kdp h GLY 968 N 0.00 -0.54 2.00 8.32 0.00 -1.25 0.32 103.07 111.93 3kdp h GLY 968 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kdp h GLY 968 CO -0.00 -0.20 0.00 -0.62 0.00 0.00 0.00 176.54 175.72 3kdp n VAL 969 N -5.14 0.99 -0.08 4.60 0.31 -0.21 -1.65 118.33 117.16 3kdp n VAL 969 Ca -0.09 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.39 3kdp n VAL 969 Cb 0.27 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 32.09 3kdp n VAL 969 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kdp n ALA 970 N -1.53 1.65 -0.39 3.52 0.00 -0.28 -4.84 120.51 118.64 3kdp n ALA 970 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3kdp n ALA 970 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3kdp n ALA 970 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kdp n LEU 971 N -2.85 1.05 -3.76 0.00 4.77 0.11 -4.99 117.00 111.32 3kdp n LEU 971 Ca -0.27 -1.05 -0.28 0.00 -0.03 0.00 0.00 56.01 54.38 3kdp n LEU 971 Cb 0.85 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3kdp n LEU 971 CO 0.20 0.26 -0.12 0.54 -1.33 0.00 0.00 177.39 176.94 3kdp n ARG 972 N -0.22 -2.45 -4.01 3.23 1.74 -0.66 -4.78 116.66 109.51 3kdp n ARG 972 Ca 0.00 0.47 -0.31 0.00 -0.77 0.00 0.00 57.85 57.24 3kdp n ARG 972 Cb 0.27 -4.43 -0.16 0.00 -1.02 0.00 0.00 32.46 27.13 3kdp n ARG 972 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3kdp s MET 973 N -6.14 2.09 0.01 5.56 -1.94 -0.84 -4.35 119.30 113.69 3kdp s MET 973 Ca 0.25 -0.92 0.08 0.00 -1.71 0.00 0.00 55.69 53.39 3kdp s MET 973 Cb -0.09 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 3kdp s MET 973 CO 0.86 -0.44 -0.22 0.71 -0.01 0.00 0.00 175.02 175.91 3kdp s TYR 974 N 1.35 2.44 0.49 -0.03 1.51 -1.26 -0.87 117.35 120.98 3kdp s TYR 974 Ca -0.02 -0.34 -0.20 0.00 -1.01 0.00 0.00 57.07 55.49 3kdp s TYR 974 Cb -0.17 -1.48 -0.11 0.00 -0.11 0.00 0.00 41.96 40.10 3kdp s TYR 974 CO -0.08 0.12 0.51 -2.30 -1.11 0.00 0.00 175.55 172.69 3kdp n PRO 975 N 1.98 0.54 -4.12 -1.71 -0.02 -0.94 -4.91 135.00 125.83 3kdp n PRO 975 Ca -0.16 0.20 -0.23 0.00 -2.02 0.00 0.00 63.50 61.29 3kdp n PRO 975 Cb 0.52 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 3kdp n PRO 975 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kdp s LEU 976 N 1.44 3.28 -0.20 2.45 1.43 -1.26 -5.06 118.68 120.75 3kdp s LEU 976 Ca 0.65 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3kdp s LEU 976 Cb -0.52 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3kdp s LEU 976 CO 0.57 -0.25 0.10 -0.54 0.23 0.00 0.00 176.35 176.45 3kdp s LYS 977 N -3.83 4.02 0.00 1.70 1.02 -1.26 -5.00 119.74 116.40 3kdp s LYS 977 Ca 0.37 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3kdp s LYS 977 Cb -0.03 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 3kdp s LYS 977 CO 0.22 0.21 0.05 -2.30 -0.92 0.00 0.00 175.35 172.62 3kdp n PRO 978 N 3.76 0.00 -0.24 -1.68 -0.02 -1.26 0.26 135.00 135.81 3kdp n PRO 978 Ca -0.16 0.05 0.26 0.00 -2.02 0.00 0.00 63.50 61.63 3kdp n PRO 978 Cb 0.52 -0.09 0.39 0.00 -0.02 0.00 0.00 33.50 34.31 3kdp n PRO 978 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kdp n THR 979 N -1.35 0.00 -0.15 3.45 -2.24 -1.26 -1.89 114.28 110.84 3kdp n THR 979 Ca 0.00 1.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.74 3kdp n THR 979 Cb 0.00 -1.77 0.16 0.00 -2.10 0.00 0.00 70.33 66.62 3kdp n THR 979 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3kdp h TRP 980 N 0.00 0.92 -0.28 4.78 -0.00 0.31 -3.32 115.95 118.35 3kdp h TRP 980 Ca 0.45 -0.10 -0.18 0.00 -0.00 0.00 0.00 58.89 59.07 3kdp h TRP 980 Cb 2.39 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 31.29 3kdp h TRP 980 CO 0.00 0.78 -0.51 -1.49 -0.00 0.00 0.00 178.44 177.21 3kdp h TRP 981 N 0.84 1.06 0.00 0.49 4.06 -1.54 -3.27 115.95 117.60 3kdp h TRP 981 Ca 0.18 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.75 3kdp h TRP 981 Cb 0.34 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3kdp h TRP 981 CO 0.02 1.20 0.00 1.19 -3.56 0.00 0.00 178.44 177.29 3kdp n PHE 982 N -4.05 0.00 0.00 0.49 0.99 -1.25 -4.12 117.46 109.52 3kdp n PHE 982 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3kdp n PHE 982 Cb 0.61 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 39.08 3kdp n PHE 982 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kdp h ALA 984 N -2.00 1.40 -0.80 0.00 0.00 -1.79 -3.32 119.26 112.75 3kdp h ALA 984 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3kdp h ALA 984 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3kdp h ALA 984 CO 0.00 -0.40 -0.44 1.19 0.00 0.00 0.00 179.25 179.60 3kdp n PHE 985 N -2.76 -0.28 -0.17 0.00 0.99 -1.18 0.16 117.46 114.21 3kdp n PHE 985 Ca -0.02 1.00 0.16 0.00 -0.00 0.00 0.00 57.45 58.59 3kdp n PHE 985 Cb 0.45 -0.61 0.51 0.00 -1.00 0.00 0.00 39.48 38.83 3kdp n PHE 985 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3kdp h PRO 986 N 0.00 0.39 -0.12 -1.08 0.13 -1.82 -0.18 132.00 129.32 3kdp h PRO 986 Ca 0.16 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.13 3kdp h PRO 986 Cb 0.36 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.41 3kdp h PRO 986 CO -0.76 0.26 -0.46 1.88 -0.23 0.00 0.00 178.00 178.69 3kdp h TYR 987 N 0.40 0.70 0.21 1.56 0.99 0.12 0.14 116.97 121.09 3kdp h TYR 987 Ca 0.38 -0.29 0.01 0.00 2.00 0.00 0.00 58.73 60.83 3kdp h TYR 987 Cb 0.90 -0.11 -0.03 0.00 1.00 0.00 0.00 36.73 38.49 3kdp h TYR 987 CO -0.00 1.06 -0.34 0.77 -0.00 0.00 0.00 178.16 179.64 3kdp h SER 988 N 0.14 -0.97 -0.00 3.88 0.02 -0.29 -1.89 113.55 114.43 3kdp h SER 988 Ca -0.02 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kdp h SER 988 Cb 1.09 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 3kdp h SER 988 CO 0.10 -0.45 0.00 0.25 -1.14 0.00 0.00 176.83 175.58 3kdp h LEU 989 N -0.63 0.00 0.06 5.07 6.46 -1.01 -0.12 115.31 125.14 3kdp h LEU 989 Ca 0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3kdp h LEU 989 Cb 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 3kdp h LEU 989 CO -0.15 0.00 -0.03 0.25 -0.62 0.00 0.00 178.44 177.90 3kdp h LEU 990 N 0.00 -0.07 -0.20 2.25 6.46 -0.19 -1.94 115.31 121.63 3kdp h LEU 990 Ca 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3kdp h LEU 990 Cb 0.00 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 3kdp h LEU 990 CO -0.00 -0.01 -0.08 -0.38 -0.62 0.00 0.00 178.44 177.35 3kdp n ILE 991 N -2.42 -0.11 0.25 4.05 5.41 -0.76 0.28 119.36 126.07 3kdp n ILE 991 Ca -0.01 0.46 -0.16 0.00 1.00 0.00 0.00 62.75 64.04 3kdp n ILE 991 Cb 0.03 -0.60 -0.08 0.00 -0.71 0.00 0.00 39.64 38.28 3kdp n ILE 991 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3kdp h PHE 992 N 0.00 -0.56 -0.27 1.39 3.04 -1.04 -2.37 116.94 117.14 3kdp h PHE 992 Ca 0.06 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.89 3kdp h PHE 992 Cb 0.11 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 3kdp h PHE 992 CO -0.18 -0.32 -0.31 0.28 -2.02 0.00 0.00 178.31 175.76 3kdp h VAL 993 N -0.65 1.28 0.25 1.41 2.07 0.59 -2.73 116.25 118.47 3kdp h VAL 993 Ca -0.06 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3kdp h VAL 993 Cb 0.49 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3kdp h VAL 993 CO 0.10 0.45 -0.26 0.22 0.02 0.00 0.00 177.57 178.10 3kdp h TYR 994 N 0.48 -0.69 -0.95 1.57 3.20 -0.09 -2.63 116.97 117.85 3kdp h TYR 994 Ca 0.06 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.99 3kdp h TYR 994 Cb 0.77 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 3kdp h TYR 994 CO 0.03 -0.38 0.62 0.22 -1.64 0.00 0.00 178.16 177.01 3kdp h ASP 995 N -0.55 0.99 -0.71 -2.11 3.58 -1.30 -1.89 116.42 114.43 3kdp h ASP 995 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3kdp h ASP 995 Cb 0.51 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3kdp h ASP 995 CO -0.06 0.64 0.31 -0.08 -2.88 0.00 0.00 179.24 177.17 3kdp h GLU 996 N 1.13 1.05 0.00 0.28 4.57 -1.34 -2.18 114.58 118.08 3kdp h GLU 996 Ca 0.40 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 3kdp h GLU 996 Cb 0.14 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3kdp h GLU 996 CO -0.15 0.85 -0.24 0.28 -1.18 0.00 0.00 179.01 178.57 3kdp h VAL 997 N 1.01 0.65 0.51 0.32 2.07 -0.99 -2.73 116.25 117.09 3kdp h VAL 997 Ca 0.24 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3kdp h VAL 997 Cb 0.17 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3kdp h VAL 997 CO -0.02 0.23 -0.25 0.03 0.02 0.00 0.00 177.57 177.58 3kdp h ARG 998 N 0.00 -0.67 -0.82 1.57 3.08 -0.88 -2.93 114.38 113.73 3kdp h ARG 998 Ca -0.00 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.28 3kdp h ARG 998 Cb 0.68 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.76 3kdp h ARG 998 CO 0.03 -0.44 0.31 0.87 -1.07 0.00 0.00 179.97 179.67 3kdp h LYS 999 N -0.70 0.37 -0.06 0.04 1.57 -1.42 -0.17 116.57 116.19 3kdp h LYS 999 Ca -0.07 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3kdp h LYS 999 Cb 0.53 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3kdp h LYS 999 CO 0.12 0.24 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.96 3kdp h LEU 1000N 0.38 -0.65 -0.17 2.94 -0.00 -1.50 -0.62 115.31 115.69 3kdp h LEU 1000Ca 0.49 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 58.46 3kdp h LEU 1000Cb 0.85 0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 3kdp h LEU 1000CO -0.50 -0.18 -0.10 -0.38 -0.00 0.00 0.00 178.44 177.28 3kdp n ILE 1001N -3.65 -0.12 -0.12 1.22 2.08 -0.12 0.08 119.36 118.74 3kdp n ILE 1001Ca -0.02 1.36 -0.03 0.00 0.56 0.00 0.00 62.75 64.61 3kdp n ILE 1001Cb 0.14 -1.77 -0.03 0.00 -0.75 0.00 0.00 39.64 37.23 3kdp n ILE 1001CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kdp n ILE 1002N -3.27 -0.20 0.11 1.39 5.41 -0.96 0.12 119.36 121.96 3kdp n ILE 1002Ca 0.00 1.56 0.06 0.00 1.00 0.00 0.00 62.75 65.37 3kdp n ILE 1002Cb 0.04 -2.01 0.31 0.00 -0.71 0.00 0.00 39.64 37.28 3kdp n ILE 1002CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kdp n ARG 1003N -3.61 0.08 -0.10 0.38 1.74 0.11 0.20 116.66 115.46 3kdp n ARG 1003Ca 0.01 0.54 -0.11 0.00 -0.77 0.00 0.00 57.85 57.51 3kdp n ARG 1003Cb 0.08 -1.87 -0.16 0.00 -1.02 0.00 0.00 32.46 29.49 3kdp n ARG 1003CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kdp n ARG 1004N -1.90 0.68 -3.69 5.56 5.12 0.32 -4.74 116.66 118.01 3kdp n ARG 1004Ca -0.01 0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.63 3kdp n ARG 1004Cb 0.14 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 29.77 3kdp n ARG 1004CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3kdp s ARG 1005N -2.50 0.75 0.14 5.56 0.52 0.26 -5.00 118.95 118.67 3kdp s ARG 1005Ca -0.12 -1.20 0.26 0.00 -0.52 0.00 0.00 55.73 54.15 3kdp s ARG 1005Cb 0.06 -1.92 0.70 0.00 0.52 0.00 0.00 34.95 34.32 3kdp s ARG 1005CO 0.81 -1.04 1.63 -2.30 0.02 0.00 0.00 175.30 174.42 3kdp n PRO 1006N 4.60 0.22 0.00 3.54 -0.02 -0.75 -3.17 135.00 139.42 3kdp n PRO 1006Ca 0.01 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 3kdp n PRO 1006Cb 0.40 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.09 3kdp n PRO 1006CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdp n GLY 1007N 1.35 -0.40 3.51 -1.23 0.00 -1.26 -4.87 105.19 102.29 3kdp n GLY 1007Ca 0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3kdp n GLY 1007CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kdp s GLY 1008N -2.39 1.53 0.20 -0.02 0.00 -1.19 -4.79 107.32 100.66 3kdp s GLY 1008Ca 0.06 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.84 3kdp s GLY 1008CO 0.61 0.07 1.85 -0.25 0.00 0.00 0.00 173.10 175.37 3kdp h TRP 1009N -2.79 0.95 -0.32 1.90 7.01 -1.96 -2.99 115.95 117.74 3kdp h TRP 1009Ca -0.46 0.00 0.05 0.00 2.11 0.00 0.00 58.89 60.59 3kdp h TRP 1009Cb 1.31 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 28.01 3kdp h TRP 1009CO -2.16 0.63 0.03 0.28 -2.79 0.00 0.00 178.44 174.42 3kdp h VAL 1010N 0.99 0.80 -0.37 2.65 2.07 -1.92 -2.18 116.25 118.28 3kdp h VAL 1010Ca 0.26 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.76 3kdp h VAL 1010Cb -0.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3kdp h VAL 1010CO -0.05 0.02 0.19 -0.08 0.02 0.00 0.00 177.57 177.67 3kdp h GLU 1011N 0.13 0.37 -0.62 1.57 4.81 -1.80 0.39 114.58 119.43 3kdp h GLU 1011Ca 0.15 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.54 3kdp h GLU 1011Cb 0.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3kdp h GLU 1011CO -0.24 0.25 0.48 0.87 -0.73 0.00 0.00 179.01 179.64 3kdp h LYS 1012N 0.38 0.00 0.00 1.92 1.57 -1.38 -1.61 116.57 117.46 3kdp h LYS 1012Ca 0.16 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.59 3kdp h LYS 1012Cb 0.06 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 3kdp h LYS 1012CO -0.11 0.00 -2.31 0.39 -0.57 0.00 0.00 179.45 176.85 3kdp n GLU 1013N -4.19 0.87 -0.02 3.15 -0.58 0.50 -4.71 120.64 115.66 3kdp n GLU 1013Ca 0.12 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.87 3kdp n GLU 1013Cb 0.72 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 30.04 3kdp n GLU 1013CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kdp n THR 1014N -2.74 0.20 -1.92 2.62 -2.24 0.11 -4.66 114.28 105.65 3kdp n THR 1014Ca -0.32 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 3kdp n THR 1014Cb 1.11 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 3kdp n THR 1014CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kdp s TYR 1015N -2.41 1.61 0.00 4.78 6.04 -0.62 -4.80 117.35 121.96 3kdp s TYR 1015Ca -0.03 0.80 0.00 0.00 0.04 0.00 0.00 57.07 57.87 3kdp s TYR 1015Cb 0.04 -4.03 0.00 0.00 -1.04 0.00 0.00 41.96 36.93 3kdp s TYR 1015CO 0.32 -2.78 0.00 0.66 -1.54 0.00 0.00 175.55 172.22