#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwn s PRO 2 N 0.00 3.68 0.54 1.47 0.04 -1.26 -4.88 135.00 134.59 3kwn s PRO 2 Ca 0.00 2.37 0.22 0.00 0.04 0.00 0.00 61.00 63.63 3kwn s PRO 2 Cb 0.00 -2.64 1.46 0.00 0.04 0.00 0.00 34.50 33.36 3kwn s PRO 2 CO 0.00 -0.81 2.16 -0.44 0.04 0.00 0.00 177.00 177.96 3kwn h ASP 3 N 2.30 0.00 -3.92 6.66 5.19 -2.03 -3.43 116.42 121.20 3kwn h ASP 3 Ca -0.51 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.69 3kwn h ASP 3 Cb 1.27 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.51 3kwn h ASP 3 CO 0.61 0.03 -0.68 -0.44 -3.12 0.00 0.00 179.24 175.65 3kwn s SER 4 N -6.65 -0.00 0.06 6.45 0.01 -1.26 -4.22 113.70 108.08 3kwn s SER 4 Ca -0.05 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.23 3kwn s SER 4 Cb 0.16 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 3kwn s SER 4 CO 0.62 -0.05 -0.07 0.68 0.41 0.00 0.00 173.24 174.83 3kwn s VAL 5 N -0.19 0.54 -0.28 3.43 -7.23 -0.76 -4.97 120.40 110.94 3kwn s VAL 5 Ca -0.02 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3kwn s VAL 5 Cb -0.02 -0.92 0.16 0.00 0.56 0.00 0.00 36.38 36.16 3kwn s VAL 5 CO -0.00 -0.56 0.41 -0.62 -0.31 0.00 0.00 175.10 174.02 3kwn s ASP 6 N -2.04 0.35 0.52 4.85 -1.08 -1.26 -1.56 116.67 116.45 3kwn s ASP 6 Ca -0.04 -0.30 0.35 0.00 -0.52 0.00 0.00 52.55 52.04 3kwn s ASP 6 Cb -0.05 1.12 1.63 0.00 -1.46 0.00 0.00 42.92 44.16 3kwn s ASP 6 CO -0.02 -0.35 2.04 -0.50 0.52 0.00 0.00 175.17 176.86 3kwn h TRP 7 N 8.16 0.00 -0.83 -5.34 4.06 -1.38 -2.00 115.95 118.62 3kwn h TRP 7 Ca -0.10 0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.93 3kwn h TRP 7 Cb 1.12 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.23 3kwn h TRP 7 CO 0.25 0.00 0.54 0.00 -3.56 0.00 0.00 178.44 175.67 3kwn h ARG 8 N 0.00 0.81 0.00 0.49 3.08 -1.92 -1.89 114.38 114.96 3kwn h ARG 8 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3kwn h ARG 8 Cb 0.28 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kwn h ARG 8 CO 0.00 0.54 0.00 0.93 -1.07 0.00 0.00 179.97 180.37 3kwn h GLU 9 N 0.84 0.00 -0.64 0.04 5.08 -1.76 -2.00 114.58 116.14 3kwn h GLU 9 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3kwn h GLU 9 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kwn h GLU 9 CO -0.14 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.50 3kwn n LYS 10 N -2.65 2.63 -2.12 2.33 4.01 -0.73 -4.96 118.16 116.68 3kwn n LYS 10 Ca 0.01 -2.32 -0.16 0.00 -0.51 0.00 0.00 58.31 55.32 3kwn n LYS 10 Cb 0.23 -1.55 -0.02 0.00 -0.51 0.00 0.00 35.03 33.17 3kwn n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kwn n GLY 11 N 1.43 0.14 0.91 0.72 0.00 -0.75 -4.91 105.19 102.73 3kwn n GLY 11 Ca 0.21 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3kwn n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwn s VAL 13 N -1.11 1.16 0.92 0.00 1.01 -1.26 -3.58 120.40 117.54 3kwn s VAL 13 Ca 0.32 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3kwn s VAL 13 Cb 0.18 -1.09 0.18 0.00 0.00 0.00 0.00 36.38 35.64 3kwn s VAL 13 CO 0.24 0.37 1.27 0.42 0.00 0.00 0.00 175.10 177.40 3kwn s THR 14 N 1.02 2.02 0.52 3.92 -4.23 -1.26 -4.96 115.64 112.67 3kwn s THR 14 Ca -0.08 -0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.16 3kwn s THR 14 Cb -0.15 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 3kwn s THR 14 CO -0.01 0.00 1.39 -1.61 -0.54 0.00 0.00 174.62 173.85 3kwn s GLU 15 N -5.78 3.26 0.24 3.99 0.41 -1.26 -4.94 118.70 114.62 3kwn s GLU 15 Ca 0.72 2.31 -0.31 0.00 -0.41 0.00 0.00 54.97 57.27 3kwn s GLU 15 Cb -0.05 -2.36 -0.13 0.00 -1.78 0.00 0.00 34.13 29.82 3kwn s GLU 15 CO 0.52 -1.12 1.58 0.28 -0.49 0.00 0.00 175.26 176.03 3kwn n VAL 16 N -0.83 0.58 -3.35 2.63 0.31 -1.26 -5.01 118.33 111.40 3kwn n VAL 16 Ca 0.09 -0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.08 3kwn n VAL 16 Cb 0.44 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 31.58 3kwn n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kwn s LYS 17 N 0.16 2.60 -0.29 5.55 -0.14 -1.26 -4.74 119.74 121.62 3kwn s LYS 17 Ca 0.70 -1.47 0.01 0.00 -1.36 0.00 0.00 55.97 53.85 3kwn s LYS 17 Cb -0.56 -2.51 0.09 0.00 -1.68 0.00 0.00 37.83 33.16 3kwn s LYS 17 CO 0.43 -0.29 0.04 -0.47 -0.76 0.00 0.00 175.35 174.30 3kwn s TYR 18 N -2.46 2.37 0.09 3.18 5.04 -1.26 -0.60 117.35 123.71 3kwn s TYR 18 Ca 0.51 -2.00 0.28 0.00 -2.44 0.00 0.00 57.07 53.41 3kwn s TYR 18 Cb -0.06 -1.93 1.06 0.00 0.35 0.00 0.00 41.96 41.38 3kwn s TYR 18 CO 0.30 -0.85 1.88 -0.56 -1.34 0.00 0.00 175.55 174.98 3kwn h GLN 19 N 7.94 0.00 0.00 4.97 3.07 -1.18 -3.48 115.11 126.44 3kwn h GLN 19 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 3kwn h GLN 19 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 3kwn h GLN 19 CO 0.46 0.13 0.00 0.41 0.09 0.00 0.00 178.83 179.92 3kwn n GLY 20 N 0.15 2.75 0.89 0.06 0.00 -1.26 -2.93 105.19 104.85 3kwn n GLY 20 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.79 3kwn n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kwn n SER 21 N 1.01 2.55 -4.56 1.61 3.41 -1.26 -4.72 113.62 111.67 3kwn n SER 21 Ca 0.00 -2.15 -0.37 0.00 -0.26 0.00 0.00 58.87 56.09 3kwn n SER 21 Cb 0.00 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.47 3kwn n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwn n GLY 23 N 4.58 3.52 1.81 0.00 0.00 0.48 -4.55 105.19 111.03 3kwn n GLY 23 Ca -0.15 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.79 3kwn n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwn n ALA 24 N 4.51 3.65 -0.31 4.61 0.00 -1.26 -3.39 120.51 128.32 3kwn n ALA 24 Ca 0.56 -1.84 0.15 0.00 0.00 0.00 0.00 53.44 52.32 3kwn n ALA 24 Cb 0.21 -1.09 0.40 0.00 0.00 0.00 0.00 19.45 18.96 3kwn n ALA 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwn h SER 25 N 4.05 0.64 -0.94 0.00 4.64 -1.86 0.12 113.55 120.19 3kwn h SER 25 Ca 0.00 0.07 0.09 0.00 -0.47 0.00 0.00 61.79 61.48 3kwn h SER 25 Cb 1.83 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.81 3kwn h SER 25 CO 0.42 0.24 0.61 4.11 -0.87 0.00 0.00 176.83 181.34 3kwn h TRP 26 N 0.63 1.07 -0.21 4.77 5.08 -1.82 0.13 115.95 125.60 3kwn h TRP 26 Ca 0.53 0.03 -0.12 0.00 1.08 0.00 0.00 58.89 60.41 3kwn h TRP 26 Cb 1.00 -0.35 -0.00 0.00 -3.00 0.00 0.00 29.16 26.81 3kwn h TRP 26 CO -0.00 0.51 -0.35 0.00 -1.28 0.00 0.00 178.44 177.32 3kwn h ALA 27 N 1.52 0.33 -0.52 0.11 0.00 -1.14 -1.96 119.26 117.60 3kwn h ALA 27 Ca 0.43 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kwn h ALA 27 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kwn h ALA 27 CO -0.18 0.39 0.03 0.74 0.00 0.00 0.00 179.25 180.23 3kwn h PHE 28 N 0.29 0.96 -0.61 0.00 -1.00 -1.12 -1.94 116.94 113.52 3kwn h PHE 28 Ca 0.02 -0.16 0.03 0.00 2.81 0.00 0.00 57.97 60.67 3kwn h PHE 28 Cb 0.94 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.21 3kwn h PHE 28 CO 0.09 0.88 0.37 1.03 -1.61 0.00 0.00 178.31 179.07 3kwn h SER 29 N 0.76 0.59 0.35 2.17 0.87 -0.74 -1.48 113.55 116.07 3kwn h SER 29 Ca 0.15 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3kwn h SER 29 Cb 0.48 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3kwn h SER 29 CO 0.02 0.41 -0.17 0.00 -0.53 0.00 0.00 176.83 176.56 3kwn h ALA 30 N 1.28 -0.47 -0.87 6.23 0.00 -1.20 -2.41 119.26 121.83 3kwn h ALA 30 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kwn h ALA 30 Cb 0.05 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3kwn h ALA 30 CO -0.12 -0.65 0.50 -0.39 0.00 0.00 0.00 179.25 178.59 3kwn h VAL 31 N -0.69 1.24 -0.51 0.00 -1.51 -1.38 -2.14 116.25 111.26 3kwn h VAL 31 Ca -0.05 -0.57 0.06 0.00 -1.23 0.00 0.00 66.70 64.91 3kwn h VAL 31 Cb 0.48 0.05 -0.05 0.00 -2.13 0.00 0.00 31.29 29.64 3kwn h VAL 31 CO 0.08 0.27 0.22 1.23 -1.23 0.00 0.00 177.57 178.13 3kwn h GLY 32 N 1.21 0.70 1.02 5.19 0.00 -1.21 0.50 103.07 110.49 3kwn h GLY 32 Ca 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3kwn h GLY 32 CO -0.05 0.05 0.15 0.00 0.00 0.00 0.00 176.54 176.68 3kwn h ALA 33 N 1.31 0.80 -0.20 3.60 0.00 -1.19 -2.99 119.26 120.60 3kwn h ALA 33 Ca 0.24 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3kwn h ALA 33 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kwn h ALA 33 CO -0.21 0.51 -0.43 1.25 0.00 0.00 0.00 179.25 180.36 3kwn h LEU 34 N 0.88 0.51 -0.78 0.00 5.85 -0.72 -3.14 115.31 117.93 3kwn h LEU 34 Ca 0.19 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.78 3kwn h LEU 34 Cb 0.36 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3kwn h LEU 34 CO 0.00 0.88 0.41 -0.33 -0.34 0.00 0.00 178.44 179.06 3kwn h GLU 35 N 0.39 0.66 -0.53 1.25 5.08 0.12 -0.88 114.58 120.66 3kwn h GLU 35 Ca 0.03 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3kwn h GLU 35 Cb 0.92 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3kwn h GLU 35 CO 0.08 0.44 0.09 0.00 -1.00 0.00 0.00 179.01 178.62 3kwn h ALA 36 N 1.46 0.71 -0.64 3.43 0.00 -1.49 -1.16 119.26 121.57 3kwn h ALA 36 Ca 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kwn h ALA 36 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kwn h ALA 36 CO -0.27 0.44 0.21 1.96 0.00 0.00 0.00 179.25 181.59 3kwn h GLN 37 N 0.76 0.99 -0.92 0.00 1.08 -1.47 -1.71 115.11 113.84 3kwn h GLN 37 Ca 0.16 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3kwn h GLN 37 Cb 0.40 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3kwn h GLN 37 CO 0.01 0.86 0.56 1.25 -0.95 0.00 0.00 178.83 180.56 3kwn h LEU 38 N 0.92 1.10 -0.37 1.46 5.85 -0.91 -2.31 115.31 121.06 3kwn h LEU 38 Ca 0.21 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3kwn h LEU 38 Cb 0.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3kwn h LEU 38 CO -0.01 0.85 0.00 0.50 -0.34 0.00 0.00 178.44 179.44 3kwn h LYS 39 N 1.27 0.65 -0.54 1.25 3.11 -0.89 -1.27 116.57 120.14 3kwn h LYS 39 Ca 0.33 -0.20 0.06 0.00 -2.81 0.00 0.00 60.65 58.02 3kwn h LYS 39 Cb -0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.06 3kwn h LYS 39 CO -0.06 0.75 0.26 -0.07 -2.81 0.00 0.00 179.45 177.52 3kwn h LEU 40 N 0.47 0.35 0.03 5.20 4.07 -1.11 0.11 115.31 124.43 3kwn h LEU 40 Ca 0.10 0.04 -0.20 0.00 0.08 0.00 0.00 57.88 57.90 3kwn h LEU 40 Cb 0.46 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 42.19 3kwn h LEU 40 CO 0.02 0.24 -0.81 0.50 -1.08 0.00 0.00 178.44 177.30 3kwn h LYS 41 N 0.50 0.50 0.00 1.13 3.64 -1.34 -3.38 116.57 117.61 3kwn h LYS 41 Ca 0.25 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3kwn h LYS 41 Cb 0.19 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kwn h LYS 41 CO -0.19 1.21 -1.39 0.25 -2.27 0.00 0.00 179.45 177.05 3kwn n THR 42 N -4.07 0.00 -0.94 1.00 -2.24 -0.49 -4.98 114.28 102.56 3kwn n THR 42 Ca -0.11 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3kwn n THR 42 Cb 0.78 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3kwn n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwn n GLY 43 N 1.50 0.70 3.50 3.38 0.00 0.37 -5.02 105.19 109.62 3kwn n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3kwn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwn s LYS 44 N -0.22 3.46 -0.39 1.61 1.02 -1.25 -5.01 119.74 118.94 3kwn s LYS 44 Ca 0.00 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 55.29 3kwn s LYS 44 Cb 0.00 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3kwn s LYS 44 CO 0.00 0.33 0.37 -1.17 -0.92 0.00 0.00 175.35 173.96 3kwn s LEU 45 N 0.12 4.81 -0.05 3.17 2.96 -1.26 -3.67 118.68 124.75 3kwn s LEU 45 Ca -0.02 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.26 3kwn s LEU 45 Cb -0.14 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.28 3kwn s LEU 45 CO 0.03 -0.47 0.03 0.54 -1.32 0.00 0.00 176.35 175.16 3kwn s VAL 46 N 1.96 0.14 0.29 1.68 0.11 -1.26 -5.09 120.40 118.23 3kwn s VAL 46 Ca 0.10 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.09 3kwn s VAL 46 Cb -0.17 -0.33 -0.12 0.00 -1.53 0.00 0.00 36.38 34.22 3kwn s VAL 46 CO 0.12 0.21 1.53 -1.20 -3.33 0.00 0.00 175.10 172.43 3kwn n SER 47 N 5.06 3.55 -4.93 3.54 7.64 -1.26 -4.83 113.62 122.39 3kwn n SER 47 Ca -0.08 1.16 -0.23 0.00 1.01 0.00 0.00 58.87 60.73 3kwn n SER 47 Cb 0.50 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.12 3kwn n SER 47 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kwn s LEU 48 N -0.52 4.20 -0.82 -3.43 1.43 -1.26 -1.14 118.68 117.15 3kwn s LEU 48 Ca 0.63 0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 3kwn s LEU 48 Cb -0.53 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 42.97 3kwn s LEU 48 CO 0.51 -0.03 1.38 -0.55 0.23 0.00 0.00 176.35 177.88 3kwn s SER 49 N -3.75 6.19 0.40 2.29 0.15 -0.57 -4.20 113.70 114.21 3kwn s SER 49 Ca 0.34 -0.72 0.10 0.00 0.70 0.00 0.00 55.95 56.37 3kwn s SER 49 Cb -0.09 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.55 3kwn s SER 49 CO 0.28 -1.79 1.95 0.00 1.20 0.00 0.00 173.24 174.88 3kwn h ALA 50 N 10.23 1.89 -0.45 5.45 0.00 -1.85 -2.80 119.26 131.73 3kwn h ALA 50 Ca -0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3kwn h ALA 50 Cb 1.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3kwn h ALA 50 CO 1.32 -0.04 -0.18 0.37 0.00 0.00 0.00 179.25 180.73 3kwn h GLN 51 N 0.58 0.88 -0.83 0.00 5.75 -1.87 -1.82 115.11 117.79 3kwn h GLN 51 Ca 0.32 -0.34 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 3kwn h GLN 51 Cb 0.50 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.91 3kwn h GLN 51 CO -0.11 0.98 0.42 -0.97 -2.65 0.00 0.00 178.83 176.50 3kwn h ASN 52 N 0.77 0.51 -0.12 -0.69 -0.00 -1.73 0.12 115.58 114.44 3kwn h ASN 52 Ca 0.11 0.09 -0.07 0.00 -0.00 0.00 0.00 56.30 56.44 3kwn h ASN 52 Cb 0.71 0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 39.04 3kwn h ASN 52 CO 0.05 0.22 -0.19 -0.07 -0.00 0.00 0.00 177.43 177.44 3kwn h LEU 53 N 0.61 0.37 -0.41 0.34 3.38 -1.44 -1.69 115.31 116.47 3kwn h LEU 53 Ca 0.45 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3kwn h LEU 53 Cb 0.63 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3kwn h LEU 53 CO -0.36 0.84 0.11 0.58 0.09 0.00 0.00 178.44 179.69 3kwn h VAL 54 N -0.08 0.82 0.00 1.22 2.07 -0.76 0.16 116.25 119.68 3kwn h VAL 54 Ca 0.01 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 3kwn h VAL 54 Cb 0.76 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3kwn h VAL 54 CO 0.04 0.05 -0.77 0.44 0.02 0.00 0.00 177.57 177.34 3kwn h ASP 55 N 0.25 0.00 0.00 0.57 3.32 -0.83 -3.39 116.42 116.34 3kwn h ASP 55 Ca 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3kwn h ASP 55 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3kwn h ASP 55 CO -0.23 0.66 -1.06 0.00 -1.72 0.00 0.00 179.24 176.88 3kwn s SER 57 N -3.33 6.95 0.00 0.00 0.15 0.54 -4.88 113.70 113.14 3kwn s SER 57 Ca -0.01 -2.74 0.00 0.00 0.70 0.00 0.00 55.95 53.91 3kwn s SER 57 Cb 0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3kwn s SER 57 CO 0.03 -0.83 0.00 0.35 1.20 0.00 0.00 173.24 173.99 3kwn n THR 58 N 4.84 0.00 -0.29 6.45 -2.24 -1.26 -4.54 114.28 117.24 3kwn n THR 58 Ca 0.33 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 3kwn n THR 58 Cb 0.44 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.88 3kwn n THR 58 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kwn h GLU 59 N 0.00 0.61 -0.44 -0.78 4.57 -1.90 -0.06 114.58 116.58 3kwn h GLU 59 Ca 0.00 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 3kwn h GLU 59 Cb 0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3kwn h GLU 59 CO 0.00 0.40 0.30 0.87 -1.18 0.00 0.00 179.01 179.41 3kwn h LYS 60 N 0.63 0.20 -0.38 1.92 6.56 -1.94 -1.80 116.57 121.76 3kwn h LYS 60 Ca 0.44 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 3kwn h LYS 60 Cb 0.58 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 3kwn h LYS 60 CO -0.34 0.14 0.00 0.66 -2.06 0.00 0.00 179.45 177.85 3kwn n TYR 61 N -4.46 0.50 -1.09 -1.35 4.02 -0.09 -4.93 117.16 109.77 3kwn n TYR 61 Ca 0.07 -0.25 -0.03 0.00 -0.01 0.00 0.00 57.90 57.68 3kwn n TYR 61 Cb 0.36 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.67 3kwn n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kwn n GLY 62 N 1.45 0.54 3.93 2.72 0.00 -0.68 -4.77 105.19 108.38 3kwn n GLY 62 Ca 0.19 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3kwn n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kwn s ASN 63 N -2.29 6.38 -0.10 1.61 0.01 -0.86 -4.82 114.94 114.87 3kwn s ASN 63 Ca 0.00 0.37 0.17 0.00 -0.71 0.00 0.00 52.86 52.69 3kwn s ASN 63 Cb 0.00 -2.00 0.38 0.00 0.41 0.00 0.00 41.25 40.04 3kwn s ASN 63 CO 0.00 -0.01 1.18 0.29 -1.51 0.00 0.00 177.10 177.04 3kwn n LYS 64 N -0.55 0.75 0.00 -0.60 5.02 0.11 -3.61 118.16 119.29 3kwn n LYS 64 Ca -0.05 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 3kwn n LYS 64 Cb 0.54 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 3kwn n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwn n GLY 65 N -0.35 3.70 0.03 0.72 0.00 -1.22 -1.83 105.19 106.24 3kwn n GLY 65 Ca 0.12 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.46 3kwn n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwn n ASN 67 N -1.70 3.67 0.00 0.00 3.02 -0.76 -0.39 115.26 119.10 3kwn n ASN 67 Ca 0.04 -2.10 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 3kwn n ASN 67 Cb 0.24 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3kwn n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kwn n GLY 68 N 1.42 1.74 0.00 7.41 0.00 -0.98 -4.83 105.19 109.95 3kwn n GLY 68 Ca 0.22 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3kwn n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwn n GLY 69 N -0.50 -1.12 3.22 -0.02 0.00 -1.26 0.08 105.19 105.59 3kwn n GLY 69 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 3kwn n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kwn s PHE 70 N -3.00 1.83 0.22 1.61 0.40 -1.26 -4.73 117.98 113.04 3kwn s PHE 70 Ca 0.00 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 3kwn s PHE 70 Cb 0.00 -1.17 0.20 0.00 0.51 0.00 0.00 43.02 42.56 3kwn s PHE 70 CO 0.00 -0.02 1.62 0.52 0.70 0.00 0.00 175.22 178.04 3kwn h MET 71 N 5.57 0.73 -0.39 0.44 2.86 -1.98 -2.67 114.93 119.50 3kwn h MET 71 Ca -0.39 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 56.89 3kwn h MET 71 Cb 1.14 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3kwn h MET 71 CO 0.48 0.91 0.03 1.79 1.06 0.00 0.00 176.91 181.18 3kwn h THR 72 N 0.63 1.25 0.00 2.22 1.35 -1.96 -1.23 112.91 115.17 3kwn h THR 72 Ca 0.08 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.93 3kwn h THR 72 Cb 0.76 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3kwn h THR 72 CO 0.06 0.31 -0.40 0.71 -0.25 0.00 0.00 175.52 175.95 3kwn h THR 73 N 0.49 0.79 -0.63 6.82 1.35 -1.86 -1.48 112.91 118.39 3kwn h THR 73 Ca 0.11 -1.79 -0.03 0.00 -0.55 0.00 0.00 66.41 64.16 3kwn h THR 73 Cb 0.41 2.15 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 3kwn h THR 73 CO 0.01 0.40 0.27 0.00 -0.25 0.00 0.00 175.52 175.95 3kwn h ALA 74 N 1.60 0.82 -0.11 6.62 0.00 -1.17 -0.31 119.26 126.72 3kwn h ALA 74 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kwn h ALA 74 Cb 1.12 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kwn h ALA 74 CO 0.05 0.42 0.06 0.74 0.00 0.00 0.00 179.25 180.52 3kwn h PHE 75 N 0.88 0.15 -0.61 0.00 0.04 -0.94 -2.43 116.94 114.03 3kwn h PHE 75 Ca 0.21 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.09 3kwn h PHE 75 Cb 0.17 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.19 3kwn h PHE 75 CO 0.01 0.19 0.12 0.37 -0.60 0.00 0.00 178.31 178.40 3kwn h GLN 76 N 0.07 0.24 -0.65 1.51 5.75 -1.09 -0.57 115.11 120.37 3kwn h GLN 76 Ca 0.04 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.63 3kwn h GLN 76 Cb 0.09 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.51 3kwn h GLN 76 CO -0.01 0.16 0.24 -0.92 -2.65 0.00 0.00 178.83 175.65 3kwn h TYR 77 N 0.25 0.41 -0.64 3.99 3.20 -0.80 0.99 116.97 124.37 3kwn h TYR 77 Ca 0.32 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.15 3kwn h TYR 77 Cb 0.48 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3kwn h TYR 77 CO -0.26 0.08 0.10 0.82 -1.64 0.00 0.00 178.16 177.26 3kwn h ILE 78 N 0.41 1.26 0.58 1.81 2.04 -0.71 0.70 117.51 123.59 3kwn h ILE 78 Ca 0.34 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3kwn h ILE 78 Cb 0.46 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kwn h ILE 78 CO -0.35 0.38 -0.39 0.40 0.00 0.00 0.00 178.15 178.20 3kwn h ILE 79 N 0.98 0.00 -0.77 -0.67 2.04 -0.62 -1.42 117.51 117.05 3kwn h ILE 79 Ca 0.20 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.20 3kwn h ILE 79 Cb 0.43 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.42 3kwn h ILE 79 CO 0.01 0.00 0.32 0.44 0.00 0.00 0.00 178.15 178.92 3kwn h ASP 80 N -0.91 0.30 1.39 1.72 3.32 -0.69 -2.20 116.42 119.35 3kwn h ASP 80 Ca -0.08 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kwn h ASP 80 Cb 0.74 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3kwn h ASP 80 CO 0.06 0.11 0.00 -1.13 -1.72 0.00 0.00 179.24 176.55 3kwn h ASN 81 N 0.46 0.00 -2.56 6.45 -1.24 0.47 -3.47 115.58 115.69 3kwn h ASN 81 Ca 0.43 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 57.05 3kwn h ASN 81 Cb 0.66 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.68 3kwn h ASN 81 CO -0.41 0.00 -0.48 0.29 -1.29 0.00 0.00 177.43 175.53 3kwn n LYS 82 N -2.72 -1.54 0.00 6.67 5.02 -0.57 -4.93 118.16 120.10 3kwn n LYS 82 Ca 0.03 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 3kwn n LYS 82 Cb 0.39 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 3kwn n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwn n GLY 83 N -0.97 2.04 2.87 0.72 0.00 -0.99 -4.89 105.19 103.97 3kwn n GLY 83 Ca -0.23 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3kwn n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwn s ILE 84 N -2.00 -0.01 0.74 -0.61 2.07 -0.82 -4.69 121.20 115.88 3kwn s ILE 84 Ca 0.00 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.16 3kwn s ILE 84 Cb 0.00 -0.03 0.04 0.00 0.13 0.00 0.00 42.46 42.59 3kwn s ILE 84 CO 0.00 0.01 1.08 -1.81 -1.91 0.00 0.00 174.94 172.31 3kwn s ASP 85 N 0.16 4.89 0.68 4.50 1.01 -1.26 -1.34 116.67 125.30 3kwn s ASP 85 Ca -0.01 1.71 -0.15 0.00 0.71 0.00 0.00 52.55 54.80 3kwn s ASP 85 Cb -0.02 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3kwn s ASP 85 CO -0.00 -1.77 1.14 -0.94 0.21 0.00 0.00 175.17 173.81 3kwn s SER 86 N -3.60 4.84 0.33 0.27 1.04 -1.08 -1.51 113.70 113.98 3kwn s SER 86 Ca 0.60 2.12 0.02 0.00 0.48 0.00 0.00 55.95 59.17 3kwn s SER 86 Cb -0.16 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 63.97 3kwn s SER 86 CO 0.56 -1.82 1.92 -0.78 0.98 0.00 0.00 173.24 174.09 3kwn h ASP 87 N -0.02 0.66 -0.25 7.02 1.82 -1.30 -2.51 116.42 121.84 3kwn h ASP 87 Ca -0.47 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.01 3kwn h ASP 87 Cb 1.26 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 3kwn h ASP 87 CO 0.53 0.60 -0.11 0.00 -1.61 0.00 0.00 179.24 178.64 3kwn h ALA 88 N 1.50 1.11 0.00 -0.78 0.00 -1.93 -0.81 119.26 118.35 3kwn h ALA 88 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kwn h ALA 88 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kwn h ALA 88 CO -0.02 0.55 -0.16 0.66 0.00 0.00 0.00 179.25 180.29 3kwn h SER 89 N 0.59 0.00 -1.27 0.00 4.64 -1.91 -3.39 113.55 112.21 3kwn h SER 89 Ca 0.10 -0.01 -0.43 0.00 -0.47 0.00 0.00 61.79 60.99 3kwn h SER 89 Cb 0.54 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.33 3kwn h SER 89 CO 0.03 0.00 -0.89 0.00 -0.87 0.00 0.00 176.83 175.11 3kwn n TYR 90 N -2.93 -1.39 -1.58 4.77 4.19 -0.89 -5.01 117.16 114.33 3kwn n TYR 90 Ca 0.04 -2.94 -0.31 0.00 3.31 0.00 0.00 57.90 58.00 3kwn n TYR 90 Cb 0.52 0.35 0.06 0.00 0.49 0.00 0.00 39.34 40.76 3kwn n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kwn s PRO 91 N -0.62 2.66 -0.09 2.98 0.04 -0.36 -4.46 135.00 135.14 3kwn s PRO 91 Ca 0.34 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 3kwn s PRO 91 Cb 0.21 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 3kwn s PRO 91 CO -0.15 -1.26 0.75 -0.47 0.04 0.00 0.00 177.00 175.91 3kwn s TYR 92 N -3.09 3.54 -0.23 0.56 5.04 -1.26 -4.79 117.35 117.11 3kwn s TYR 92 Ca 0.59 1.27 0.02 0.00 -2.44 0.00 0.00 57.07 56.51 3kwn s TYR 92 Cb -0.14 -2.88 0.03 0.00 0.35 0.00 0.00 41.96 39.32 3kwn s TYR 92 CO 0.55 -0.01 0.71 1.63 -1.34 0.00 0.00 175.55 177.09 3kwn n LYS 93 N 4.21 0.42 -4.13 4.97 4.76 -1.26 -5.02 118.16 122.11 3kwn n LYS 93 Ca 0.01 -0.92 -0.33 0.00 -2.87 0.00 0.00 58.31 54.19 3kwn n LYS 93 Cb 0.51 -1.04 -0.02 0.00 -1.84 0.00 0.00 35.03 32.63 3kwn n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kwn n ALA 94 N -0.01 -1.46 -3.34 7.82 0.00 -1.26 -4.96 120.51 117.30 3kwn n ALA 94 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3kwn n ALA 94 Cb 0.12 -3.04 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 3kwn n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwn s MET 95 N -6.82 1.23 0.07 0.00 0.23 -1.26 -4.32 119.30 108.43 3kwn s MET 95 Ca 0.54 -0.50 -0.30 0.00 -1.03 0.00 0.00 55.69 54.39 3kwn s MET 95 Cb -0.29 0.56 -0.06 0.00 -1.53 0.00 0.00 34.83 33.52 3kwn s MET 95 CO 0.91 -0.53 1.18 -0.51 -2.03 0.00 0.00 175.02 174.04 3kwn s ASP 96 N -2.73 7.11 0.35 -1.18 1.01 -1.26 -4.94 116.67 115.04 3kwn s ASP 96 Ca 0.01 2.00 0.04 0.00 0.71 0.00 0.00 52.55 55.32 3kwn s ASP 96 Cb -0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3kwn s ASP 96 CO -0.12 -0.44 0.17 -1.10 0.21 0.00 0.00 175.17 173.89 3kwn s GLN 97 N 0.93 1.77 0.44 8.23 -0.21 -1.26 -5.10 119.66 124.45 3kwn s GLN 97 Ca 0.57 -2.05 -0.23 0.00 0.02 0.00 0.00 55.36 53.68 3kwn s GLN 97 Cb -0.29 -0.23 -0.08 0.00 1.00 0.00 0.00 33.01 33.41 3kwn s GLN 97 CO 0.30 -0.50 1.10 -1.59 -2.12 0.00 0.00 175.29 172.47 3kwn s LYS 98 N -3.69 3.94 0.01 2.91 0.00 -1.26 -4.61 119.74 117.03 3kwn s LYS 98 Ca 0.32 1.61 -0.30 0.00 0.00 0.00 0.00 55.97 57.60 3kwn s LYS 98 Cb 0.03 -2.43 -0.08 0.00 0.00 0.00 0.00 37.83 35.36 3kwn s LYS 98 CO 0.18 -0.36 1.78 0.00 0.00 0.00 0.00 175.35 176.95 3kwn n GLN 100 N 6.93 1.53 -1.63 0.00 6.02 -1.26 -5.06 117.38 123.91 3kwn n GLN 100 Ca 0.18 -2.93 -0.49 0.00 -0.01 0.00 0.00 57.00 53.75 3kwn n GLN 100 Cb 0.41 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 3kwn n GLN 100 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kwn n TYR 101 N -1.24 1.90 -4.20 1.08 9.36 -1.26 -5.00 117.16 117.80 3kwn n TYR 101 Ca 0.19 0.45 -0.27 0.00 3.32 0.00 0.00 57.90 61.59 3kwn n TYR 101 Cb 0.70 -2.44 -0.17 0.00 -0.63 0.00 0.00 39.34 36.80 3kwn n TYR 101 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kwn s ASP 102 N 0.78 2.17 0.54 2.98 -1.08 -1.26 -5.02 116.67 115.78 3kwn s ASP 102 Ca 0.82 -0.35 0.23 0.00 -0.52 0.00 0.00 52.55 52.73 3kwn s ASP 102 Cb -0.82 -0.92 1.41 0.00 -1.46 0.00 0.00 42.92 41.13 3kwn s ASP 102 CO 0.43 -0.05 2.08 0.77 0.52 0.00 0.00 175.17 178.92 3kwn h SER 103 N 7.70 0.00 -0.49 -0.34 4.64 -1.99 -1.91 113.55 121.17 3kwn h SER 103 Ca -0.31 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.08 3kwn h SER 103 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 3kwn h SER 103 CO 0.46 0.00 0.33 0.50 -0.87 0.00 0.00 176.83 177.25 3kwn h LYS 104 N 0.00 0.33 -0.50 4.77 3.64 -2.02 -2.76 116.57 120.03 3kwn h LYS 104 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3kwn h LYS 104 Cb 0.53 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3kwn h LYS 104 CO -0.00 0.22 0.00 0.66 -2.27 0.00 0.00 179.45 178.06 3kwn n TYR 105 N -4.47 1.03 -1.65 1.91 4.02 -0.72 -4.99 117.16 112.28 3kwn n TYR 105 Ca 0.07 -0.61 -0.48 0.00 -0.01 0.00 0.00 57.90 56.87 3kwn n TYR 105 Cb 0.31 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 3kwn n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3kwn n ARG 106 N 0.71 1.91 0.00 -0.72 0.63 -1.04 -2.64 116.66 115.50 3kwn n ARG 106 Ca 0.21 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 3kwn n ARG 106 Cb 0.72 -2.43 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3kwn n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kwn n ALA 107 N 3.44 1.87 -3.71 5.13 0.00 -0.45 -4.82 120.51 121.97 3kwn n ALA 107 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 3kwn n ALA 107 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 3kwn n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwn s ALA 108 N -0.72 -1.17 0.10 0.00 0.00 -1.13 -4.95 121.76 113.88 3kwn s ALA 108 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3kwn s ALA 108 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 3kwn s ALA 108 CO 0.00 -0.97 0.01 -0.08 0.00 0.00 0.00 175.76 174.72 3kwn s THR 109 N -3.90 0.21 -0.05 0.00 -1.32 -1.26 -1.94 115.64 107.38 3kwn s THR 109 Ca 0.10 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.73 3kwn s THR 109 Cb -0.05 -1.81 0.02 0.00 -1.51 0.00 0.00 72.50 69.16 3kwn s THR 109 CO 0.04 -0.71 -0.06 0.00 -2.21 0.00 0.00 174.62 171.67 3kwn n SER 111 N 3.92 1.97 -3.70 0.00 7.64 0.51 -4.24 113.62 119.71 3kwn n SER 111 Ca -0.24 0.23 -0.05 0.00 1.01 0.00 0.00 58.87 59.81 3kwn n SER 111 Cb 0.51 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 3kwn n SER 111 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kwn s LYS 112 N -2.56 1.20 0.17 1.43 -2.85 -1.18 -5.01 119.74 110.93 3kwn s LYS 112 Ca -0.20 -0.62 -0.03 0.00 -1.00 0.00 0.00 55.97 54.11 3kwn s LYS 112 Cb 0.07 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 3kwn s LYS 112 CO 0.77 -0.54 0.16 1.52 0.10 0.00 0.00 175.35 177.36 3kwn s TYR 113 N -3.35 0.84 -0.02 1.78 -0.85 -1.26 -1.29 117.35 113.20 3kwn s TYR 113 Ca 0.10 -1.16 0.02 0.00 -0.52 0.00 0.00 57.07 55.51 3kwn s TYR 113 Cb -0.02 -0.38 0.00 0.00 0.38 0.00 0.00 41.96 41.95 3kwn s TYR 113 CO -0.00 -0.64 -0.07 0.99 -1.52 0.00 0.00 175.55 174.31 3kwn s THR 114 N -4.07 0.61 -0.14 -3.49 2.01 -0.63 -4.99 115.64 104.93 3kwn s THR 114 Ca 0.28 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 3kwn s THR 114 Cb 0.06 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 3kwn s THR 114 CO 0.06 0.19 0.01 -1.61 -0.69 0.00 0.00 174.62 172.57 3kwn s GLU 115 N 0.12 3.59 0.20 4.92 2.02 -1.26 -2.02 118.70 126.26 3kwn s GLU 115 Ca -0.01 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.47 3kwn s GLU 115 Cb -0.06 -2.98 -0.06 0.00 0.10 0.00 0.00 34.13 31.12 3kwn s GLU 115 CO -0.00 0.38 0.48 -0.51 0.02 0.00 0.00 175.26 175.63 3kwn s LEU 116 N 0.01 4.20 0.32 1.80 1.43 -0.48 -5.00 118.68 120.95 3kwn s LEU 116 Ca 0.03 0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 3kwn s LEU 116 Cb -0.13 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 3kwn s LEU 116 CO 0.02 -0.03 1.50 -2.16 0.23 0.00 0.00 176.35 175.90 3kwn s PRO 117 N -2.81 4.17 -0.04 1.29 0.04 -1.26 -4.45 135.00 131.93 3kwn s PRO 117 Ca 0.45 2.49 -0.38 0.00 0.04 0.00 0.00 61.00 63.60 3kwn s PRO 117 Cb -0.11 -3.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.24 3kwn s PRO 117 CO 0.23 -0.51 1.51 0.98 0.04 0.00 0.00 177.00 179.25 3kwn n TYR 118 N 1.43 1.77 -0.16 0.56 4.19 -1.26 -2.62 117.16 121.07 3kwn n TYR 118 Ca 0.04 0.56 0.00 0.00 3.31 0.00 0.00 57.90 61.81 3kwn n TYR 118 Cb 0.39 -2.40 0.00 0.00 0.49 0.00 0.00 39.34 37.82 3kwn n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3kwn n GLY 119 N 3.22 2.18 3.50 2.98 0.00 0.12 -4.93 105.19 112.25 3kwn n GLY 119 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3kwn n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwn s ARG 120 N -0.17 3.55 0.48 1.61 1.81 -1.08 -4.69 118.95 120.46 3kwn s ARG 120 Ca 0.00 -1.39 0.30 0.00 -1.72 0.00 0.00 55.73 52.92 3kwn s ARG 120 Cb 0.00 -5.01 1.10 0.00 -0.45 0.00 0.00 34.95 30.58 3kwn s ARG 120 CO 0.00 -1.96 1.87 0.93 -0.68 0.00 0.00 175.30 175.46 3kwn h GLU 121 N 9.30 0.00 -0.04 3.54 5.08 -1.90 -0.88 114.58 129.68 3kwn h GLU 121 Ca 0.13 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 3kwn h GLU 121 Cb 1.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.29 3kwn h GLU 121 CO 1.24 0.00 -0.77 0.38 -1.00 0.00 0.00 179.01 178.87 3kwn h ASP 122 N 0.00 0.74 -0.61 1.42 2.03 -2.00 -1.86 116.42 116.14 3kwn h ASP 122 Ca 0.00 -0.72 -0.09 0.00 -0.73 0.00 0.00 57.03 55.49 3kwn h ASP 122 Cb 0.60 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 3kwn h ASP 122 CO 0.00 1.35 0.02 0.58 -1.03 0.00 0.00 179.24 180.16 3kwn h VAL 123 N 0.20 1.27 -0.54 4.15 2.07 -1.92 -2.44 116.25 119.04 3kwn h VAL 123 Ca -0.08 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3kwn h VAL 123 Cb 1.43 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3kwn h VAL 123 CO 0.15 0.42 0.28 0.25 0.02 0.00 0.00 177.57 178.69 3kwn h LEU 124 N 0.99 0.68 -0.18 2.57 5.85 -1.19 -1.50 115.31 122.53 3kwn h LEU 124 Ca 0.18 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kwn h LEU 124 Cb 0.54 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3kwn h LEU 124 CO 0.03 0.60 0.11 0.50 -0.34 0.00 0.00 178.44 179.34 3kwn h LYS 125 N 0.72 0.25 -0.77 1.25 3.64 -1.24 -1.10 116.57 119.31 3kwn h LYS 125 Ca 0.19 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3kwn h LYS 125 Cb 0.08 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3kwn h LYS 125 CO -0.03 0.20 0.48 1.49 -2.27 0.00 0.00 179.45 179.33 3kwn h GLU 126 N 0.22 0.91 -0.36 1.90 4.81 -1.36 -0.68 114.58 120.02 3kwn h GLU 126 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3kwn h GLU 126 Cb 0.02 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3kwn h GLU 126 CO -0.01 0.60 0.17 0.00 -0.73 0.00 0.00 179.01 179.03 3kwn h ALA 127 N 1.34 0.47 -0.73 2.92 0.00 -1.00 0.53 119.26 122.78 3kwn h ALA 127 Ca 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kwn h ALA 127 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kwn h ALA 127 CO -0.13 0.04 0.33 0.28 0.00 0.00 0.00 179.25 179.77 3kwn h VAL 128 N 0.44 1.24 -0.17 0.00 2.07 -0.87 0.28 116.25 119.24 3kwn h VAL 128 Ca 0.12 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3kwn h VAL 128 Cb 0.14 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3kwn h VAL 128 CO -0.01 0.29 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 3kwn h ALA 129 N 1.16 0.24 0.00 1.67 0.00 -1.05 -3.21 119.26 118.07 3kwn h ALA 129 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kwn h ALA 129 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kwn h ALA 129 CO -0.03 0.00 -1.09 0.09 0.00 0.00 0.00 179.25 178.23 3kwn n ASN 130 N -4.66 0.67 0.00 0.00 3.02 0.17 -4.66 115.26 109.80 3kwn n ASN 130 Ca -0.05 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3kwn n ASN 130 Cb 0.27 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 3kwn n ASN 130 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kwn n LYS 131 N -1.76 0.00 0.00 3.52 4.01 0.95 -5.03 118.16 119.84 3kwn n LYS 131 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3kwn n LYS 131 Cb 0.40 -0.76 0.00 0.00 -0.51 0.00 0.00 35.03 34.16 3kwn n LYS 131 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kwn n GLY 132 N 3.08 0.86 3.59 0.72 0.00 -1.01 -4.96 105.19 107.46 3kwn n GLY 132 Ca 0.00 -2.02 -0.47 0.00 0.00 0.00 0.00 46.02 43.53 3kwn n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kwn n PRO 133 N -0.50 1.31 -4.85 1.61 -0.02 -1.26 -4.09 135.00 127.19 3kwn n PRO 133 Ca 0.00 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 3kwn n PRO 133 Cb 0.00 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 3kwn n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kwn s VAL 134 N -0.44 2.90 0.07 -1.45 1.01 -0.10 -4.78 120.40 117.61 3kwn s VAL 134 Ca 0.68 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3kwn s VAL 134 Cb -0.78 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 3kwn s VAL 134 CO 0.54 0.53 1.29 -0.44 0.00 0.00 0.00 175.10 177.02 3kwn s SER 135 N 0.30 6.96 0.05 3.32 0.01 0.14 -1.14 113.70 123.35 3kwn s SER 135 Ca -0.11 2.13 -0.01 0.00 1.31 0.00 0.00 55.95 59.27 3kwn s SER 135 Cb -0.16 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3kwn s SER 135 CO 0.06 -0.57 -0.03 0.68 0.41 0.00 0.00 173.24 173.79 3kwn s VAL 136 N 1.25 0.25 0.01 3.43 -7.23 -0.83 -0.41 120.40 116.87 3kwn s VAL 136 Ca 0.61 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3kwn s VAL 136 Cb -0.32 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3kwn s VAL 136 CO 0.29 -0.93 0.18 -0.83 -0.31 0.00 0.00 175.10 173.51 3kwn s GLY 137 N -2.75 2.17 0.16 2.32 0.00 -1.25 -0.61 107.32 107.37 3kwn s GLY 137 Ca 0.05 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 44.04 3kwn s GLY 137 CO -0.08 -0.69 -0.13 -1.34 0.00 0.00 0.00 173.10 170.85 3kwn s VAL 138 N -1.36 1.45 -0.67 1.40 -7.23 0.18 -3.97 120.40 110.20 3kwn s VAL 138 Ca 0.29 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 3kwn s VAL 138 Cb -0.13 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.01 3kwn s VAL 138 CO 0.20 -0.59 1.21 -0.62 -0.31 0.00 0.00 175.10 175.00 3kwn s ASP 139 N -3.01 6.26 0.00 4.85 2.15 0.18 -0.94 116.67 126.16 3kwn s ASP 139 Ca 0.17 -0.30 0.22 0.00 0.43 0.00 0.00 52.55 53.07 3kwn s ASP 139 Cb -0.01 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.56 3kwn s ASP 139 CO 0.04 -1.66 1.43 0.00 -0.17 0.00 0.00 175.17 174.81 3kwn n ALA 140 N 8.85 2.39 -1.75 3.66 0.00 -1.26 -4.79 120.51 127.61 3kwn n ALA 140 Ca 0.04 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 51.97 3kwn n ALA 140 Cb 0.49 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 3kwn n ALA 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kwn n ARG 141 N 1.49 3.21 -3.67 0.00 1.74 -1.26 -4.73 116.66 113.44 3kwn n ARG 141 Ca 0.21 -2.70 -0.09 0.00 -0.77 0.00 0.00 57.85 54.50 3kwn n ARG 141 Cb 0.60 -3.11 -0.09 0.00 -1.02 0.00 0.00 32.46 28.84 3kwn n ARG 141 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kwn s HIS 142 N 2.39 -0.80 0.48 -1.55 3.76 -1.26 -5.04 115.29 113.26 3kwn s HIS 142 Ca 0.51 1.58 0.25 0.00 -0.15 0.00 0.00 55.06 57.25 3kwn s HIS 142 Cb 0.14 0.38 1.29 0.00 1.11 0.00 0.00 32.58 35.51 3kwn s HIS 142 CO -0.07 -0.44 1.86 -1.35 -0.85 0.00 0.00 174.74 173.89 3kwn h PRO 143 N 7.45 0.19 -0.07 8.40 0.11 -2.01 -0.01 132.00 146.06 3kwn h PRO 143 Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3kwn h PRO 143 Cb 1.17 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kwn h PRO 143 CO 0.21 0.13 -0.01 0.66 -0.21 0.00 0.00 178.00 178.78 3kwn h SER 144 N 0.20 0.08 0.11 -2.05 4.64 -1.96 -0.60 113.55 113.97 3kwn h SER 144 Ca 0.47 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 3kwn h SER 144 Cb 1.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3kwn h SER 144 CO -0.11 0.11 -0.05 0.15 -0.87 0.00 0.00 176.83 176.06 3kwn h PHE 145 N 0.09 -0.13 -0.64 4.77 3.57 -1.30 0.07 116.94 123.36 3kwn h PHE 145 Ca 0.02 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3kwn h PHE 145 Cb 0.08 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3kwn h PHE 145 CO 0.00 0.31 0.42 0.74 -2.23 0.00 0.00 178.31 177.55 3kwn h PHE 146 N -0.64 0.68 -0.00 0.41 -1.00 -1.48 -2.64 116.94 112.28 3kwn h PHE 146 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3kwn h PHE 146 Cb 0.50 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.83 3kwn h PHE 146 CO 0.08 0.38 -0.30 1.28 -1.61 0.00 0.00 178.31 178.14 3kwn n LEU 147 N -4.47 0.45 -4.64 1.54 4.32 -0.25 -4.95 117.00 109.01 3kwn n LEU 147 Ca 0.09 0.08 -0.48 0.00 -0.02 0.00 0.00 56.01 55.68 3kwn n LEU 147 Cb 0.19 -0.28 -0.04 0.00 -1.62 0.00 0.00 43.42 41.66 3kwn n LEU 147 CO 0.34 0.10 1.03 0.00 -1.22 0.00 0.00 177.39 177.64 3kwn n TYR 148 N -1.32 1.95 -0.05 -1.77 4.19 0.00 -4.91 117.16 115.25 3kwn n TYR 148 Ca 0.08 0.44 -0.10 0.00 3.31 0.00 0.00 57.90 61.64 3kwn n TYR 148 Cb 0.33 -2.44 -0.04 0.00 0.49 0.00 0.00 39.34 37.68 3kwn n TYR 148 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3kwn n ARG 149 N 2.69 0.22 -3.65 2.98 5.12 -1.26 -3.04 116.66 119.73 3kwn n ARG 149 Ca 0.16 0.09 -0.06 0.00 -1.93 0.00 0.00 57.85 56.10 3kwn n ARG 149 Cb 0.26 -0.94 -0.02 0.00 -1.16 0.00 0.00 32.46 30.60 3kwn n ARG 149 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kwn s SER 150 N -5.67 -0.29 0.00 0.55 1.04 -1.26 -3.30 113.70 104.77 3kwn s SER 150 Ca -0.14 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3kwn s SER 150 Cb 0.05 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3kwn s SER 150 CO 0.19 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.15 3kwn n GLY 151 N -0.39 -1.81 3.49 7.32 0.00 -1.26 -4.77 105.19 107.77 3kwn n GLY 151 Ca -0.08 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 3kwn n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwn s VAL 152 N 0.00 4.89 0.04 1.61 1.01 -1.26 -4.18 120.40 122.51 3kwn s VAL 152 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3kwn s VAL 152 Cb 0.00 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 3kwn s VAL 152 CO 0.00 -0.61 1.58 -0.47 0.00 0.00 0.00 175.10 175.60 3kwn s TYR 153 N 2.63 2.50 -0.03 5.22 5.04 0.61 -4.83 117.35 128.48 3kwn s TYR 153 Ca 0.18 0.44 -0.01 0.00 -2.44 0.00 0.00 57.07 55.24 3kwn s TYR 153 Cb -0.16 -3.88 0.03 0.00 0.35 0.00 0.00 41.96 38.30 3kwn s TYR 153 CO 0.16 -3.48 0.05 -0.47 -1.34 0.00 0.00 175.55 170.47 3kwn s TYR 154 N 2.71 0.06 -0.26 4.97 5.04 -1.26 -1.10 117.35 127.51 3kwn s TYR 154 Ca 0.71 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.57 3kwn s TYR 154 Cb -0.37 -0.41 0.06 0.00 0.35 0.00 0.00 41.96 41.59 3kwn s TYR 154 CO 0.30 -0.16 -0.10 -2.00 -1.34 0.00 0.00 175.55 172.26 3kwn s GLU 155 N 1.82 2.33 0.43 4.97 2.56 -1.26 -5.02 118.70 124.53 3kwn s GLU 155 Ca 0.01 -1.30 0.14 0.00 0.00 0.00 0.00 54.97 53.82 3kwn s GLU 155 Cb -0.12 -2.91 1.03 0.00 2.00 0.00 0.00 34.13 34.12 3kwn s GLU 155 CO -0.03 -0.55 1.98 -1.35 -0.56 0.00 0.00 175.26 174.75 3kwn h PRO 156 N 7.82 0.40 -0.04 4.30 0.11 -2.05 -1.42 132.00 141.12 3kwn h PRO 156 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3kwn h PRO 156 Cb 1.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3kwn h PRO 156 CO 0.48 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 3kwn n SER 157 N -4.47 0.63 -4.72 -2.05 3.41 -1.26 -4.92 113.62 100.25 3kwn n SER 157 Ca 0.10 -1.36 -0.39 0.00 -0.26 0.00 0.00 58.87 56.96 3kwn n SER 157 Cb 0.38 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3kwn n SER 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwn s THR 159 N -1.31 2.15 -2.31 0.00 -4.23 -1.26 -4.78 115.64 103.91 3kwn s THR 159 Ca 0.71 -1.81 0.21 0.00 -1.18 0.00 0.00 61.69 59.62 3kwn s THR 159 Cb -0.43 -2.96 0.44 0.00 1.34 0.00 0.00 72.50 70.89 3kwn s THR 159 CO 0.50 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 176.07 3kwn n GLN 160 N -1.15 1.92 -2.85 3.99 6.02 -1.26 -2.66 117.38 121.38 3kwn n GLN 160 Ca -0.03 -1.39 -0.42 0.00 -0.01 0.00 0.00 57.00 55.15 3kwn n GLN 160 Cb 0.65 -1.41 -0.04 0.00 1.02 0.00 0.00 30.24 30.46 3kwn n GLN 160 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3kwn s ASN 161 N -1.51 6.80 0.11 1.08 0.02 -1.26 -4.42 114.94 115.76 3kwn s ASN 161 Ca 0.33 0.91 -0.05 0.00 -1.02 0.00 0.00 52.86 53.03 3kwn s ASN 161 Cb 0.18 -2.45 -0.05 0.00 0.02 0.00 0.00 41.25 38.95 3kwn s ASN 161 CO 0.27 -0.63 0.34 0.68 0.02 0.00 0.00 177.10 177.78 3kwn s VAL 162 N 3.06 5.21 0.00 1.60 -7.23 -1.26 -4.12 120.40 117.65 3kwn s VAL 162 Ca 0.36 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 3kwn s VAL 162 Cb -0.14 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.18 3kwn s VAL 162 CO 0.11 0.10 0.15 -0.46 -0.31 0.00 0.00 175.10 174.69 3kwn n ASN 163 N 0.27 0.00 -3.68 4.85 0.23 -0.11 -4.89 115.26 111.92 3kwn n ASN 163 Ca -0.04 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 52.88 3kwn n ASN 163 Cb 0.52 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.09 3kwn n ASN 163 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3kwn s HIS 164 N 0.00 -0.41 0.12 -2.53 5.04 -0.82 -4.90 115.29 111.78 3kwn s HIS 164 Ca 0.00 0.94 -0.28 0.00 -1.54 0.00 0.00 55.06 54.19 3kwn s HIS 164 Cb 0.00 0.01 -0.06 0.00 0.04 0.00 0.00 32.58 32.56 3kwn s HIS 164 CO 0.00 -0.32 0.88 0.20 -2.34 0.00 0.00 174.74 173.15 3kwn s GLY 165 N 2.05 2.95 0.33 1.59 0.00 -1.26 -0.65 107.32 112.32 3kwn s GLY 165 Ca -0.02 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.21 3kwn s GLY 165 CO -0.09 1.23 0.31 -1.34 0.00 0.00 0.00 173.10 173.22 3kwn s VAL 166 N -0.34 0.00 -0.18 1.40 -7.23 0.21 -4.52 120.40 109.74 3kwn s VAL 166 Ca 0.42 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3kwn s VAL 166 Cb -0.23 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.23 3kwn s VAL 166 CO 0.28 0.00 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.79 3kwn s LEU 167 N -3.34 1.88 -0.52 1.32 0.20 -0.93 -1.96 118.68 115.34 3kwn s LEU 167 Ca 0.39 -0.79 -0.28 0.00 0.69 0.00 0.00 54.13 54.13 3kwn s LEU 167 Cb 0.02 -1.01 0.02 0.00 -0.43 0.00 0.00 46.19 44.79 3kwn s LEU 167 CO 0.26 -0.19 1.29 -0.69 -0.29 0.00 0.00 176.35 176.73 3kwn s VAL 168 N 1.55 3.97 -2.13 1.68 1.01 -0.29 -0.22 120.40 125.96 3kwn s VAL 168 Ca -0.01 0.92 0.21 0.00 0.00 0.00 0.00 61.98 63.10 3kwn s VAL 168 Cb -0.16 -4.51 0.42 0.00 0.00 0.00 0.00 36.38 32.13 3kwn s VAL 168 CO -0.08 -1.09 1.36 1.33 0.00 0.00 0.00 175.10 176.62 3kwn n VAL 169 N 6.86 0.59 -3.70 2.92 0.24 -0.25 -0.93 118.33 124.07 3kwn n VAL 169 Ca 0.12 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3kwn n VAL 169 Cb 0.49 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3kwn n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwn n GLY 170 N 1.34 -1.13 3.83 7.63 0.00 -1.15 -0.81 105.19 114.89 3kwn n GLY 170 Ca 0.18 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 3kwn n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwn s TYR 171 N -3.00 -0.09 -3.02 1.61 -0.85 -0.60 -0.38 117.35 111.03 3kwn s TYR 171 Ca 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 3kwn s TYR 171 Cb 0.00 0.73 0.00 0.00 0.38 0.00 0.00 41.96 43.07 3kwn s TYR 171 CO 0.00 -1.22 0.00 0.41 -1.52 0.00 0.00 175.55 173.22 3kwn n GLY 172 N -0.50 -0.53 3.06 5.49 0.00 -0.74 -1.82 105.19 110.16 3kwn n GLY 172 Ca -0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 3kwn n GLY 172 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kwn s ASP 173 N -4.00 -0.02 -0.57 1.61 -4.77 -1.26 -0.87 116.67 106.78 3kwn s ASP 173 Ca 0.00 -0.04 0.01 0.00 -3.30 0.00 0.00 52.55 49.21 3kwn s ASP 173 Cb 0.00 0.23 0.15 0.00 -1.09 0.00 0.00 42.92 42.20 3kwn s ASP 173 CO 0.00 -0.24 0.35 -0.22 0.70 0.00 0.00 175.17 175.76 3kwn s LEU 174 N -0.83 4.78 -0.94 2.11 0.20 0.12 -4.73 118.68 119.39 3kwn s LEU 174 Ca -0.09 -2.94 -0.05 0.00 0.69 0.00 0.00 54.13 51.74 3kwn s LEU 174 Cb -0.05 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.97 3kwn s LEU 174 CO 0.01 -0.30 0.82 0.59 -0.29 0.00 0.00 176.35 177.18 3kwn n ASN 175 N 3.29 -4.51 0.00 3.68 4.13 -1.26 -2.48 115.26 118.11 3kwn n ASN 175 Ca 0.07 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 55.93 3kwn n ASN 175 Cb 0.35 -3.74 0.00 0.00 -1.54 0.00 0.00 39.78 34.85 3kwn n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kwn n GLY 176 N -1.48 3.26 3.58 7.41 0.00 -1.26 -5.01 105.19 111.68 3kwn n GLY 176 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3kwn n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwn s LYS 177 N -0.57 3.38 0.29 1.61 -0.14 -1.03 -5.00 119.74 118.28 3kwn s LYS 177 Ca 0.00 0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.68 3kwn s LYS 177 Cb 0.00 -4.08 -0.09 0.00 -1.68 0.00 0.00 37.83 31.97 3kwn s LYS 177 CO 0.00 -1.84 1.04 -1.21 -0.76 0.00 0.00 175.35 172.58 3kwn s GLU 178 N 5.30 4.62 0.08 1.68 2.02 -1.26 -0.70 118.70 130.44 3kwn s GLU 178 Ca 0.48 1.65 -0.02 0.00 0.02 0.00 0.00 54.97 57.10 3kwn s GLU 178 Cb -0.09 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 3kwn s GLU 178 CO 0.25 0.24 0.03 1.52 0.02 0.00 0.00 175.26 177.32 3kwn s TYR 179 N -1.27 0.59 -0.18 1.61 -0.85 -0.05 -1.37 117.35 115.83 3kwn s TYR 179 Ca 0.46 -1.07 -0.09 0.00 -0.52 0.00 0.00 57.07 55.85 3kwn s TYR 179 Cb -0.28 -0.37 -0.05 0.00 0.38 0.00 0.00 41.96 41.64 3kwn s TYR 179 CO 0.35 -0.45 0.13 -1.58 -1.52 0.00 0.00 175.55 172.48 3kwn s TRP 180 N -3.96 3.45 -0.51 -3.49 0.52 0.53 -1.78 118.94 113.71 3kwn s TRP 180 Ca 0.13 0.37 -0.26 0.00 0.02 0.00 0.00 56.10 56.36 3kwn s TRP 180 Cb 0.07 -2.09 0.03 0.00 -1.15 0.00 0.00 33.47 30.33 3kwn s TRP 180 CO -0.06 0.41 0.99 -1.17 0.02 0.00 0.00 176.95 177.14 3kwn s LEU 181 N -0.03 3.92 -0.15 2.99 2.96 0.49 -1.14 118.68 127.73 3kwn s LEU 181 Ca 0.10 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3kwn s LEU 181 Cb -0.11 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 3kwn s LEU 181 CO -0.00 -1.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.04 3kwn s VAL 182 N 4.04 3.12 -0.24 1.68 1.01 -0.18 -1.09 120.40 128.74 3kwn s VAL 182 Ca 0.37 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 3kwn s VAL 182 Cb -0.10 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3kwn s VAL 182 CO 0.25 0.51 0.71 -0.75 0.00 0.00 0.00 175.10 175.81 3kwn s LYS 183 N 0.57 4.16 0.59 2.72 2.20 0.69 -0.53 119.74 130.15 3kwn s LYS 183 Ca -0.07 0.71 0.07 0.00 -0.36 0.00 0.00 55.97 56.33 3kwn s LYS 183 Cb -0.15 -3.63 0.09 0.00 -1.51 0.00 0.00 37.83 32.62 3kwn s LYS 183 CO 0.03 -0.42 0.82 1.21 -0.36 0.00 0.00 175.35 176.63 3kwn s ASN 184 N 1.37 4.98 -0.28 1.43 3.04 -0.88 -2.19 114.94 122.42 3kwn s ASN 184 Ca 0.30 -0.71 0.11 0.00 0.04 0.00 0.00 52.86 52.60 3kwn s ASN 184 Cb -0.16 0.16 0.47 0.00 -1.54 0.00 0.00 41.25 40.18 3kwn s ASN 184 CO 0.09 -1.41 1.17 -1.54 -3.04 0.00 0.00 177.10 172.37 3kwn n SER 185 N -2.34 4.03 -1.22 -4.21 3.41 -1.26 -4.44 113.62 107.59 3kwn n SER 185 Ca 0.15 -3.36 0.01 0.00 -0.26 0.00 0.00 58.87 55.41 3kwn n SER 185 Cb 0.61 -0.38 0.25 0.00 -0.26 0.00 0.00 64.21 64.43 3kwn n SER 185 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kwn n TRP 186 N -0.69 1.33 -0.21 7.33 8.01 -1.17 -0.58 117.44 131.46 3kwn n TRP 186 Ca 0.35 -1.20 0.03 0.00 -1.31 0.00 0.00 57.50 55.37 3kwn n TRP 186 Cb 0.92 -0.46 -0.01 0.00 -2.01 0.00 0.00 31.31 29.76 3kwn n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kwn n GLY 187 N -0.67 -1.42 0.16 6.99 0.00 0.23 -4.26 105.19 106.22 3kwn n GLY 187 Ca 0.30 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3kwn n GLY 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kwn h HIS 188 N -0.19 0.00 0.00 1.61 3.86 -1.85 -3.19 115.15 115.39 3kwn h HIS 188 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kwn h HIS 188 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3kwn h HIS 188 CO -0.45 0.00 -0.39 -0.91 0.86 0.00 0.00 177.93 177.04 3kwn h ASN 189 N 0.00 0.00 -3.43 2.45 -0.26 -1.90 -3.07 115.58 109.37 3kwn h ASN 189 Ca 0.00 -0.05 -0.52 0.00 -0.56 0.00 0.00 56.30 55.16 3kwn h ASN 189 Cb 0.63 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.90 3kwn h ASN 189 CO 0.00 0.03 0.54 0.12 -1.06 0.00 0.00 177.43 177.06 3kwn s PHE 190 N -3.21 3.46 0.00 1.19 2.19 -1.20 -4.87 117.98 115.54 3kwn s PHE 190 Ca 0.06 1.43 0.00 0.00 0.33 0.00 0.00 56.93 58.75 3kwn s PHE 190 Cb 0.10 -3.40 0.00 0.00 -1.31 0.00 0.00 43.02 38.41 3kwn s PHE 190 CO 0.69 -1.10 0.00 0.41 1.83 0.00 0.00 175.22 177.05 3kwn n GLY 191 N 2.40 2.98 3.39 13.12 0.00 -1.17 0.07 105.19 125.98 3kwn n GLY 191 Ca 0.05 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 3kwn n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kwn s GLU 192 N 0.00 3.86 -1.46 1.61 2.02 0.14 -4.45 118.70 120.42 3kwn s GLU 192 Ca 0.00 -2.53 -0.09 0.00 0.02 0.00 0.00 54.97 52.37 3kwn s GLU 192 Cb 0.00 -4.70 0.04 0.00 0.10 0.00 0.00 34.13 29.57 3kwn s GLU 192 CO 0.00 -1.48 0.80 0.39 0.02 0.00 0.00 175.26 174.99 3kwn n GLU 193 N 4.54 -5.44 -0.17 1.61 4.71 -1.24 -1.74 120.64 122.90 3kwn n GLU 193 Ca 0.23 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 58.12 3kwn n GLU 193 Cb 0.45 -5.63 0.00 0.00 -1.01 0.00 0.00 31.44 25.25 3kwn n GLU 193 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kwn n GLY 194 N -1.61 0.60 3.68 0.62 0.00 0.11 -4.70 105.19 103.89 3kwn n GLY 194 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3kwn n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwn s TYR 195 N -2.37 2.85 -0.05 1.61 1.51 -0.71 -2.08 117.35 118.12 3kwn s TYR 195 Ca 0.00 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3kwn s TYR 195 Cb 0.00 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3kwn s TYR 195 CO 0.00 0.54 -0.05 -1.50 -1.11 0.00 0.00 175.55 173.43 3kwn s ILE 196 N -1.92 0.63 -0.32 2.71 2.07 0.31 -0.68 121.20 124.00 3kwn s ILE 196 Ca 0.29 -0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 59.17 3kwn s ILE 196 Cb -0.08 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 3kwn s ILE 196 CO 0.20 0.25 0.60 -0.13 -1.91 0.00 0.00 174.94 173.95 3kwn s ARG 197 N 1.00 3.81 0.03 3.50 0.52 -1.26 -1.01 118.95 125.54 3kwn s ARG 197 Ca -0.10 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 3kwn s ARG 197 Cb -0.14 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 3kwn s ARG 197 CO -0.00 -0.61 -0.07 -1.64 0.02 0.00 0.00 175.30 173.00 3kwn s MET 198 N 2.58 2.46 0.14 3.54 -1.94 -0.29 -0.28 119.30 125.50 3kwn s MET 198 Ca 0.24 -0.80 -0.35 0.00 -1.71 0.00 0.00 55.69 53.07 3kwn s MET 198 Cb -0.15 -2.46 -0.15 0.00 2.01 0.00 0.00 34.83 34.09 3kwn s MET 198 CO 0.13 0.58 1.50 0.00 -0.01 0.00 0.00 175.02 177.22 3kwn n ALA 199 N 1.32 0.69 -2.48 3.03 0.00 -0.26 -0.35 120.51 122.46 3kwn n ALA 199 Ca -0.15 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3kwn n ALA 199 Cb 0.52 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.59 3kwn n ALA 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kwn s ARG 200 N 0.74 2.07 -1.47 0.00 3.52 -0.47 -4.60 118.95 118.74 3kwn s ARG 200 Ca 0.80 -0.99 -0.11 0.00 -0.13 0.00 0.00 55.73 55.30 3kwn s ARG 200 Cb -0.76 -2.21 0.06 0.00 -1.56 0.00 0.00 34.95 30.48 3kwn s ARG 200 CO 0.41 0.53 0.83 0.09 -0.81 0.00 0.00 175.30 176.35 3kwn n ASN 201 N 1.36 -5.01 -2.56 -2.12 3.02 -1.26 -4.60 115.26 104.09 3kwn n ASN 201 Ca -0.16 -0.58 -0.26 0.00 -0.03 0.00 0.00 54.58 53.56 3kwn n ASN 201 Cb 0.52 -4.03 -0.00 0.00 -0.61 0.00 0.00 39.78 35.66 3kwn n ASN 201 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kwn n LYS 202 N -4.40 3.24 -2.77 3.52 4.76 -1.26 -4.94 118.16 116.31 3kwn n LYS 202 Ca -0.00 -4.47 -0.07 0.00 -2.87 0.00 0.00 58.31 50.90 3kwn n LYS 202 Cb 0.55 -2.18 0.03 0.00 -1.84 0.00 0.00 35.03 31.59 3kwn n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kwn n GLY 203 N -0.42 0.39 3.63 0.72 0.00 -1.26 -3.43 105.19 104.83 3kwn n GLY 203 Ca 0.36 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3kwn n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kwn n ASN 204 N -0.41 -2.30 -4.68 1.61 5.15 -1.26 -4.89 115.26 108.48 3kwn n ASN 204 Ca -0.02 -0.73 -0.45 0.00 -0.60 0.00 0.00 54.58 52.78 3kwn n ASN 204 Cb 0.53 -4.47 -0.04 0.00 -0.53 0.00 0.00 39.78 35.27 3kwn n ASN 204 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3kwn n HIS 205 N -4.34 2.43 -1.46 1.20 -0.00 -1.22 -1.10 115.22 110.73 3kwn n HIS 205 Ca -0.23 0.08 -0.16 0.00 -0.00 0.00 0.00 57.72 57.40 3kwn n HIS 205 Cb 0.65 -2.63 -0.07 0.00 -0.00 0.00 0.00 29.99 27.94 3kwn n HIS 205 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kwn n GLY 207 N -0.11 0.28 0.34 0.00 0.00 -0.26 0.48 105.19 105.92 3kwn n GLY 207 Ca -0.16 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.44 3kwn n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kwn h ILE 208 N 0.00 0.92 -0.29 -0.61 6.09 -1.64 -1.89 117.51 120.10 3kwn h ILE 208 Ca -0.21 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3kwn h ILE 208 Cb 1.01 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.84 3kwn h ILE 208 CO 0.26 0.07 0.00 0.00 -3.07 0.00 0.00 178.15 175.41 3kwn n ALA 209 N -2.52 2.53 -0.09 0.18 0.00 -1.26 -4.54 120.51 114.80 3kwn n ALA 209 Ca 0.08 -1.67 -0.11 0.00 0.00 0.00 0.00 53.44 51.74 3kwn n ALA 209 Cb 0.32 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 3kwn n ALA 209 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kwn h SER 210 N 1.83 0.45 -2.01 0.00 0.02 -1.63 0.33 113.55 112.54 3kwn h SER 210 Ca 0.00 -0.27 -0.54 0.00 -0.84 0.00 0.00 61.79 60.15 3kwn h SER 210 Cb 1.04 -0.12 -0.39 0.00 0.14 0.00 0.00 62.40 63.06 3kwn h SER 210 CO 0.10 0.60 -1.12 0.49 -1.14 0.00 0.00 176.83 175.76 3kwn n PHE 211 N -4.65 -0.10 -3.19 3.45 3.72 -1.26 -4.15 117.46 111.29 3kwn n PHE 211 Ca -0.03 -3.65 -0.36 0.00 -0.05 0.00 0.00 57.45 53.36 3kwn n PHE 211 Cb 0.21 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 3kwn n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3kwn s PRO 212 N -1.58 4.17 0.02 -1.08 0.05 -1.26 -3.77 135.00 131.55 3kwn s PRO 212 Ca 0.37 0.75 -0.21 0.00 0.05 0.00 0.00 61.00 61.96 3kwn s PRO 212 Cb 0.22 -2.92 0.04 0.00 0.05 0.00 0.00 34.50 31.90 3kwn s PRO 212 CO -0.10 0.44 0.46 -1.54 0.05 0.00 0.00 177.00 176.31 3kwn s SER 213 N -1.64 -0.36 -0.00 6.66 1.04 0.45 -1.39 113.70 118.46 3kwn s SER 213 Ca 0.41 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.96 3kwn s SER 213 Cb -0.16 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 3kwn s SER 213 CO 0.20 -0.64 0.07 -0.72 0.98 0.00 0.00 173.24 173.13 3kwn s TYR 214 N -2.14 0.06 0.53 5.02 1.13 -0.86 -0.68 117.35 120.41 3kwn s TYR 214 Ca -0.07 -0.12 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 3kwn s TYR 214 Cb -0.01 -0.06 0.03 0.00 -1.10 0.00 0.00 41.96 40.81 3kwn s TYR 214 CO 0.00 -0.17 0.74 -1.25 -2.51 0.00 0.00 175.55 172.37 3kwn s PRO 215 N -0.89 2.59 0.02 -3.49 0.04 -1.26 -1.60 135.00 130.40 3kwn s PRO 215 Ca -0.10 -0.85 -0.02 0.00 0.04 0.00 0.00 61.00 60.08 3kwn s PRO 215 Cb -0.06 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 3kwn s PRO 215 CO 0.00 -0.64 0.02 -1.21 0.04 0.00 0.00 177.00 175.21 3kwn s GLU 216 N -4.70 0.36 -0.28 4.56 2.02 -0.41 -4.94 118.70 115.32 3kwn s GLU 216 Ca 0.57 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.01 3kwn s GLU 216 Cb -0.10 0.14 0.05 0.00 0.10 0.00 0.00 34.13 34.32 3kwn s GLU 216 CO 0.38 -0.07 -0.06 0.42 0.02 0.00 0.00 175.26 175.95 3kwn s ILE 217 N -1.46 2.56 0.28 -1.63 1.01 -1.26 -0.36 121.20 120.34 3kwn s ILE 217 Ca -0.16 -1.50 -0.15 0.00 0.00 0.00 0.00 60.65 58.85 3kwn s ILE 217 Cb -0.09 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 3kwn s ILE 217 CO -0.00 -0.05 0.70 -0.76 0.00 0.00 0.00 174.94 174.83 3kwn s LEU 218 N 1.18 4.15 0.00 2.97 1.02 -1.26 -4.97 118.68 121.77 3kwn s LEU 218 Ca -0.07 1.26 0.00 0.00 0.02 0.00 0.00 54.13 55.34 3kwn s LEU 218 Cb -0.20 -3.89 0.00 0.00 0.02 0.00 0.00 46.19 42.12 3kwn s LEU 218 CO -0.03 -0.13 0.26 0.00 0.02 0.00 0.00 176.35 176.47