#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 s ALA 2 N 0.00 -2.21 0.00 4.61 0.00 -1.26 -4.90 121.76 118.01 2k46 s ALA 2 Ca 0.00 2.28 0.01 0.00 0.00 0.00 0.00 51.96 54.24 2k46 s ALA 2 Cb 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2k46 s ALA 2 CO 0.00 -0.81 0.96 0.00 0.00 0.00 0.00 175.76 175.91 2k46 n MET 3 N 5.04 0.00 -3.74 0.00 -0.00 -1.26 -5.00 117.12 112.16 2k46 n MET 3 Ca -0.13 -0.95 -0.26 0.00 -0.00 0.00 0.00 57.70 56.37 2k46 n MET 3 Cb 0.52 -0.45 0.05 0.00 -0.00 0.00 0.00 33.22 33.34 2k46 n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2k46 n SER 4 N 0.01 -4.37 -2.43 3.17 2.88 -1.26 -4.90 113.62 106.72 2k46 n SER 4 Ca 0.00 -0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 56.50 2k46 n SER 4 Cb 0.70 -4.37 0.06 0.00 -0.75 0.00 0.00 64.21 59.84 2k46 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k46 n GLY 5 N -1.72 5.88 0.07 0.46 0.00 -1.26 -4.62 105.19 104.00 2k46 n GLY 5 Ca -0.06 -2.42 -0.14 0.00 0.00 0.00 0.00 46.02 43.40 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 2.29 0.05 -2.23 0.99 5.85 -1.88 -3.13 115.31 117.25 2k46 h LEU 6 Ca 0.55 -0.72 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2k46 h LEU 6 Cb 0.73 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k46 h LEU 6 CO 1.41 0.77 0.26 0.00 -0.34 0.00 0.00 178.44 180.53 2k46 h ALA 7 N 0.28 1.43 0.00 1.25 0.00 -1.79 0.45 119.26 120.88 2k46 h ALA 7 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k46 h ALA 7 Cb 0.77 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k46 h ALA 7 CO 0.01 -0.30 -0.09 -0.44 0.00 0.00 0.00 179.25 178.43 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 5.19 -1.88 -3.29 116.42 116.44 2k46 h ASP 8 Ca 0.04 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 2k46 h ASP 8 Cb 0.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2k46 h ASP 8 CO -0.00 0.09 -1.97 0.29 -3.12 0.00 0.00 179.24 174.54 2k46 n LYS 9 N -3.13 0.65 -1.43 3.56 4.76 0.09 -5.00 118.16 117.67 2k46 n LYS 9 Ca 0.03 -0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 2k46 n LYS 9 Cb 0.55 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k46 n VAL 10 N -2.26 1.59 0.00 -0.18 3.14 -0.87 -2.20 118.33 117.54 2k46 n VAL 10 Ca -0.07 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 2k46 n VAL 10 Cb 0.60 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -0.85 0.00 -3.64 1.55 -5.35 -1.17 -4.82 119.36 105.08 2k46 n ILE 11 Ca 0.12 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.56 2k46 n ILE 11 Cb 0.39 -0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.44 -0.29 -0.14 4.28 -0.00 -1.10 -5.08 118.94 116.17 2k46 s TRP 12 Ca 0.00 0.66 -0.21 0.00 -0.00 0.00 0.00 56.10 56.55 2k46 s TRP 12 Cb 0.00 0.35 0.05 0.00 -0.00 0.00 0.00 33.47 33.87 2k46 s TRP 12 CO 0.00 -0.14 0.54 0.00 -0.00 0.00 0.00 176.95 177.35 2k46 s ALA 13 N 0.52 -1.37 -0.12 5.86 0.00 -1.26 -0.79 121.76 124.60 2k46 s ALA 13 Ca 0.00 1.29 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 2k46 s ALA 13 Cb -0.04 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.62 2k46 s ALA 13 CO -0.12 -0.29 0.27 0.08 0.00 0.00 0.00 175.76 175.70 2k46 s VAL 14 N -0.36 -0.13 -0.44 0.00 1.01 -0.12 -2.28 120.40 118.08 2k46 s VAL 14 Ca -0.05 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2k46 s VAL 14 Cb -0.03 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 36.05 2k46 s VAL 14 CO 0.04 0.07 0.21 0.21 0.00 0.00 0.00 175.10 175.63 2k46 s ASN 15 N 1.54 5.02 -0.58 3.32 2.47 -1.26 0.42 114.94 125.87 2k46 s ASN 15 Ca -0.07 -2.32 -0.26 0.00 0.42 0.00 0.00 52.86 50.62 2k46 s ASN 15 Cb -0.11 -1.76 -0.03 0.00 -1.45 0.00 0.00 41.25 37.90 2k46 s ASN 15 CO -0.09 -0.44 1.98 0.00 -3.72 0.00 0.00 177.10 174.84 2k46 s ALA 16 N 0.70 2.07 0.00 1.71 0.00 0.41 -3.59 121.76 123.06 2k46 s ALA 16 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2k46 s ALA 16 Cb -0.22 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2k46 s ALA 16 CO -0.05 -3.99 0.00 0.41 0.00 0.00 0.00 175.76 172.13 2k46 n GLY 17 N 5.76 -1.35 0.00 0.00 0.00 -1.26 -3.12 105.19 105.23 2k46 n GLY 17 Ca 0.24 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 1.35 3.23 -0.02 0.00 -1.24 -1.64 105.19 106.87 2k46 n GLY 18 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2k46 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 19 N 3.63 0.31 0.00 1.61 2.02 -1.26 -4.62 118.70 120.39 2k46 s GLU 19 Ca 0.00 1.00 0.00 0.00 0.02 0.00 0.00 54.97 55.99 2k46 s GLU 19 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.51 2k46 s GLU 19 CO 0.00 -0.27 0.00 0.43 0.02 0.00 0.00 175.26 175.44 2k46 n SER 20 N 5.39 -1.23 -4.12 -0.19 7.64 -1.25 -4.90 113.62 114.96 2k46 n SER 20 Ca -0.08 0.45 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 2k46 n SER 20 Cb 0.49 -0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 62.88 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N 0.00 0.94 -0.29 1.43 2.46 -1.07 -4.91 115.29 113.84 2k46 s HIS 21 Ca 0.00 -0.49 0.02 0.00 0.47 0.00 0.00 55.06 55.06 2k46 s HIS 21 Cb 0.00 -0.54 0.08 0.00 -0.13 0.00 0.00 32.58 31.99 2k46 s HIS 21 CO 0.00 -0.02 -0.01 0.54 -2.47 0.00 0.00 174.74 172.78 2k46 s VAL 22 N -1.41 1.90 0.73 0.89 0.11 -1.26 -0.33 120.40 121.03 2k46 s VAL 22 Ca -0.05 -1.78 -0.14 0.00 -2.93 0.00 0.00 61.98 57.07 2k46 s VAL 22 Cb -0.09 -2.25 0.04 0.00 -1.53 0.00 0.00 36.38 32.55 2k46 s VAL 22 CO 0.01 -0.34 1.16 -0.62 -3.33 0.00 0.00 175.10 171.98 2k46 s ASP 23 N 1.16 4.35 0.25 3.54 -1.08 -0.26 -4.79 116.67 119.83 2k46 s ASP 23 Ca 0.02 2.19 -0.11 0.00 -0.52 0.00 0.00 52.55 54.13 2k46 s ASP 23 Cb -0.19 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 39.06 2k46 s ASP 23 CO -0.09 -2.15 1.59 -0.37 0.52 0.00 0.00 175.17 174.67 2k46 h VAL 24 N -0.43 0.16 0.00 1.11 -1.51 -1.97 1.04 116.25 114.65 2k46 h VAL 24 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2k46 h VAL 24 Cb 1.27 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 2k46 h VAL 24 CO 0.50 0.00 0.02 0.45 -1.23 0.00 0.00 177.57 177.32 2k46 h HIS 25 N -0.00 0.00 0.00 5.19 3.86 -2.00 -3.44 115.15 118.76 2k46 h HIS 25 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2k46 h HIS 25 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2k46 h HIS 25 CO -0.66 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.54 2k46 n GLY 26 N -1.16 1.48 3.41 2.45 0.00 0.36 -3.63 105.19 108.10 2k46 n GLY 26 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.74 -0.14 -0.61 -1.09 -1.11 -4.52 121.20 116.47 2k46 s ILE 27 Ca 0.00 -0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 57.66 2k46 s ILE 27 Cb 0.00 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2k46 s ILE 27 CO 0.00 -0.17 0.11 -2.28 -1.23 0.00 0.00 174.94 171.37 2k46 s HIS 28 N 1.60 3.46 -0.14 3.97 5.65 -1.25 -1.11 115.29 127.48 2k46 s HIS 28 Ca 0.03 0.39 -0.07 0.00 0.25 0.00 0.00 55.06 55.67 2k46 s HIS 28 Cb -0.19 -1.99 -0.04 0.00 -1.18 0.00 0.00 32.58 29.19 2k46 s HIS 28 CO 0.07 0.54 0.10 -0.47 -0.65 0.00 0.00 174.74 174.33 2k46 s TYR 29 N -0.55 3.43 -0.42 3.88 5.04 0.55 -4.05 117.35 125.23 2k46 s TYR 29 Ca 0.12 0.36 -0.17 0.00 -2.44 0.00 0.00 57.07 54.94 2k46 s TYR 29 Cb -0.12 -1.97 0.02 0.00 0.35 0.00 0.00 41.96 40.25 2k46 s TYR 29 CO 0.02 0.52 0.41 -0.98 -1.34 0.00 0.00 175.55 174.18 2k46 s ARG 30 N -0.56 3.07 0.00 4.97 1.70 -0.96 -2.60 118.95 124.56 2k46 s ARG 30 Ca 0.12 -0.81 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 2k46 s ARG 30 Cb -0.12 -3.97 0.00 0.00 -0.57 0.00 0.00 34.95 30.29 2k46 s ARG 30 CO 0.02 -0.84 0.00 1.17 -1.08 0.00 0.00 175.30 174.58 2k46 n LYS 31 N 5.51 0.00 0.00 3.89 4.81 -1.26 -3.94 118.16 127.18 2k46 n LYS 31 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2k46 n LYS 31 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 2k46 n LYS 31 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k46 n ASP 32 N 0.00 0.00 -0.48 3.14 2.03 -1.26 -4.79 116.55 115.19 2k46 n ASP 32 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2k46 n ASP 32 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k46 n PRO 33 N 0.00 1.16 0.00 -0.67 -0.04 -1.25 -4.08 135.00 130.12 2k46 n PRO 33 Ca 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2k46 n PRO 33 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2k46 n LEU 34 N -0.08 0.00 -4.26 1.53 -0.00 -1.26 -4.72 117.00 108.21 2k46 n LEU 34 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.67 2k46 n LEU 34 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2k46 n LEU 34 CO 0.29 0.00 1.60 -0.62 -0.00 0.00 0.00 177.39 178.66 2k46 n GLU 35 N 0.00 3.45 0.00 1.47 -0.58 -1.26 -4.29 120.64 119.43 2k46 n GLU 35 Ca 0.00 -3.73 0.00 0.00 -0.42 0.00 0.00 57.16 53.01 2k46 n GLU 35 Cb 0.00 -3.01 0.00 0.00 -0.57 0.00 0.00 31.44 27.86 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k46 n GLY 36 N 3.67 2.93 3.80 0.62 0.00 -1.26 -4.27 105.19 110.68 2k46 n GLY 36 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -2.00 -2.50 -4.23 1.61 1.74 -1.26 -4.98 116.66 105.05 2k46 n ARG 37 Ca 0.00 0.45 -0.17 0.00 -0.77 0.00 0.00 57.85 57.36 2k46 n ARG 37 Cb 0.00 -4.39 -0.08 0.00 -1.02 0.00 0.00 32.46 26.97 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k46 s VAL 38 N -3.69 0.00 -0.25 1.55 -7.23 -1.26 -5.02 120.40 104.50 2k46 s VAL 38 Ca 0.22 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 2k46 s VAL 38 Cb -0.08 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2k46 s VAL 38 CO 0.87 0.00 0.07 -0.83 -0.31 0.00 0.00 175.10 174.90 2k46 s GLY 39 N -3.29 1.77 0.00 2.32 0.00 -1.26 -4.71 107.32 102.15 2k46 s GLY 39 Ca 0.38 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2k46 s GLY 39 CO 0.22 0.51 0.00 0.54 0.00 0.00 0.00 173.10 174.38 2k46 n ARG 40 N 4.86 0.00 -1.54 2.90 1.74 -1.26 -5.16 116.66 118.19 2k46 n ARG 40 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2k46 n ARG 40 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k46 n ALA 41 N -1.74 -2.28 -0.10 7.54 0.00 -1.26 -5.02 120.51 117.65 2k46 n ALA 41 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 2k46 n ALA 41 Cb 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 2k46 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k46 n SER 42 N 0.88 1.94 -2.56 0.00 2.88 -1.25 -4.97 113.62 110.54 2k46 n SER 42 Ca 0.00 0.34 -0.11 0.00 -1.33 0.00 0.00 58.87 57.76 2k46 n SER 42 Cb 0.00 -0.76 -0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2k46 n SER 42 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k46 n ASP 43 N -4.41 -3.34 -0.16 -3.46 9.92 -1.26 -4.77 116.55 109.07 2k46 n ASP 43 Ca -0.24 0.18 0.01 0.00 -0.53 0.00 0.00 54.79 54.21 2k46 n ASP 43 Cb 0.61 -2.86 0.03 0.00 -0.64 0.00 0.00 41.12 38.26 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k46 n TYR 44 N -3.29 0.08 -0.77 1.24 9.36 -1.26 -3.47 117.16 119.06 2k46 n TYR 44 Ca -0.10 -0.04 0.08 0.00 3.32 0.00 0.00 57.90 61.16 2k46 n TYR 44 Cb 0.58 -0.01 0.36 0.00 -0.63 0.00 0.00 39.34 39.64 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 0.53 3.02 0.27 2.98 0.00 -1.26 -4.41 105.19 106.33 2k46 n GLY 45 Ca 0.02 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.27 2k46 n GLY 45 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2k46 h MET 46 N 3.70 0.00 -0.00 1.61 2.86 -1.96 0.17 114.93 121.31 2k46 h MET 46 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k46 h MET 46 Cb 1.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.30 2k46 h MET 46 CO 0.33 0.06 -0.18 0.36 1.06 0.00 0.00 176.91 178.53 2k46 n LYS 47 N -3.89 0.42 -3.15 1.72 2.85 -1.26 -4.02 118.16 110.83 2k46 n LYS 47 Ca -0.03 -0.16 -0.17 0.00 -1.05 0.00 0.00 58.31 56.90 2k46 n LYS 47 Cb 0.15 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.01 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k46 n LEU 48 N -1.15 0.82 -4.89 -5.58 4.77 0.55 -5.13 117.00 106.40 2k46 n LEU 48 Ca 0.11 -4.91 -0.30 0.00 -0.03 0.00 0.00 56.01 50.88 2k46 n LEU 48 Cb 0.31 0.70 0.04 0.00 -2.33 0.00 0.00 43.42 42.14 2k46 n LEU 48 CO 0.27 2.24 0.73 -2.16 -1.33 0.00 0.00 177.39 177.14 2k46 s PRO 49 N -2.44 2.92 0.39 3.23 0.04 -0.83 -4.89 135.00 133.42 2k46 s PRO 49 Ca 0.39 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 2k46 s PRO 49 Cb 0.36 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 2k46 s PRO 49 CO -0.07 -0.98 1.00 0.42 0.04 0.00 0.00 177.00 177.42 2k46 s ILE 50 N -3.32 3.97 -0.24 0.56 1.09 -1.26 -4.90 121.20 117.10 2k46 s ILE 50 Ca 0.58 1.46 -0.16 0.00 -1.10 0.00 0.00 60.65 61.43 2k46 s ILE 50 Cb -0.11 -3.73 -0.16 0.00 -1.06 0.00 0.00 42.46 37.41 2k46 s ILE 50 CO 0.51 -0.04 -0.10 0.18 -0.10 0.00 0.00 174.94 175.40 2k46 n LEU 51 N -0.10 2.01 -1.12 2.97 7.99 -1.26 -4.42 117.00 123.07 2k46 n LEU 51 Ca 0.05 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2k46 n LEU 51 Cb 0.51 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.92 2k46 n LEU 51 CO 0.43 0.49 0.41 0.54 -1.51 0.00 0.00 177.39 177.75 2k46 n ARG 52 N -4.23 0.70 -3.82 3.23 3.00 -1.26 -4.72 116.66 109.55 2k46 n ARG 52 Ca -0.45 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.27 2k46 n ARG 52 Cb 0.82 -1.15 -0.11 0.00 0.00 0.00 0.00 32.46 32.02 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k46 s SER 53 N 1.18 -0.13 0.60 0.55 0.15 -1.26 -4.84 113.70 109.94 2k46 s SER 53 Ca 0.00 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.64 2k46 s SER 53 Cb 0.00 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2k46 s SER 53 CO 0.00 -0.20 1.28 -3.20 1.20 0.00 0.00 173.24 172.33 2k46 n ASN 54 N 2.35 2.17 -0.32 5.45 5.15 -1.26 -4.54 115.26 124.26 2k46 n ASN 54 Ca -0.17 0.89 0.01 0.00 -0.60 0.00 0.00 54.58 54.72 2k46 n ASN 54 Cb 0.57 -1.54 0.08 0.00 -0.53 0.00 0.00 39.78 38.36 2k46 n ASN 54 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2k46 h PRO 55 N 0.90 -0.02 0.36 1.20 0.11 -1.96 1.83 132.00 134.42 2k46 h PRO 55 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2k46 h PRO 55 Cb 1.33 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2k46 h PRO 55 CO 0.54 -0.02 -0.17 1.05 -0.21 0.00 0.00 178.00 179.20 2k46 h GLU 56 N -0.02 -0.47 0.00 1.05 4.11 -1.98 -2.68 114.58 114.59 2k46 h GLU 56 Ca 0.38 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.84 2k46 h GLU 56 Cb 0.62 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2k46 h GLU 56 CO -0.91 -0.16 0.00 -3.47 0.07 0.00 0.00 179.01 174.55 2k46 n ASP 57 N -5.17 0.37 -0.04 3.06 2.03 -0.84 -1.31 116.55 114.65 2k46 n ASP 57 Ca -0.10 0.60 -0.12 0.00 0.52 0.00 0.00 54.79 55.70 2k46 n ASP 57 Cb 0.27 -0.68 -0.07 0.00 -0.72 0.00 0.00 41.12 39.93 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k46 h GLN 58 N 0.00 0.20 -0.65 -0.67 4.15 0.31 0.24 115.11 118.69 2k46 h GLN 58 Ca 0.00 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.49 2k46 h GLN 58 Cb 0.26 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.83 2k46 h GLN 58 CO 0.00 0.44 0.13 0.28 -1.93 0.00 0.00 178.83 177.74 2k46 h VAL 59 N -0.06 0.57 0.00 2.39 2.07 -0.99 1.03 116.25 121.26 2k46 h VAL 59 Ca 0.03 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k46 h VAL 59 Cb 0.34 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2k46 h VAL 59 CO 0.01 0.04 0.00 -0.11 0.02 0.00 0.00 177.57 177.53 2k46 n LEU 60 N -5.16 0.48 -0.28 2.57 7.94 -0.98 -2.50 117.00 119.07 2k46 n LEU 60 Ca 0.11 0.59 0.08 0.00 -1.11 0.00 0.00 56.01 55.68 2k46 n LEU 60 Cb 0.38 -0.49 0.16 0.00 0.53 0.00 0.00 43.42 43.99 2k46 n LEU 60 CO 0.14 -0.34 0.48 -1.22 -1.11 0.00 0.00 177.39 175.35 2k46 n TYR 61 N -2.00 0.00 0.03 1.96 4.02 0.16 -4.62 117.16 116.71 2k46 n TYR 61 Ca 0.04 -1.12 0.00 0.00 -0.01 0.00 0.00 57.90 56.81 2k46 n TYR 61 Cb 0.28 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.25 0.00 -0.58 -0.72 7.27 0.31 -4.76 117.38 117.64 2k46 n GLN 62 Ca 0.16 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.05 2k46 n GLN 62 Cb 0.67 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.32 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N -2.66 0.11 0.00 1.69 -2.24 -1.04 -4.81 114.28 105.32 2k46 n THR 63 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2k46 n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k46 n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k46 n GLU 64 N 0.66 1.53 0.00 -0.78 -0.00 -1.25 -4.08 120.64 116.73 2k46 n GLU 64 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 2k46 n GLU 64 Cb 0.20 -0.93 0.00 0.00 -0.00 0.00 0.00 31.44 30.72 2k46 n GLU 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2k46 n ARG 65 N -1.40 0.00 -3.73 3.44 1.74 -0.65 -4.07 116.66 111.98 2k46 n ARG 65 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2k46 n ARG 65 Cb 0.11 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.54 2k46 n ARG 65 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2k46 s TYR 66 N 0.00 -0.06 0.40 -1.55 5.04 -1.26 -3.84 117.35 116.08 2k46 s TYR 66 Ca 0.00 -0.17 0.05 0.00 -2.44 0.00 0.00 57.07 54.52 2k46 s TYR 66 Cb 0.00 0.61 0.00 0.00 0.35 0.00 0.00 41.96 42.92 2k46 s TYR 66 CO 0.00 -0.59 0.57 0.54 -1.34 0.00 0.00 175.55 174.73 2k46 s ASN 67 N -3.06 5.78 0.00 4.32 4.22 -1.26 -5.04 114.94 119.90 2k46 s ASN 67 Ca 0.15 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.74 2k46 s ASN 67 Cb 0.01 -1.10 0.00 0.00 1.28 0.00 0.00 41.25 41.44 2k46 s ASN 67 CO 0.00 -0.65 0.00 1.21 -2.04 0.00 0.00 177.10 175.62 2k46 n GLU 68 N -1.86 0.00 -3.61 3.55 2.13 -1.26 -5.15 120.64 114.43 2k46 n GLU 68 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2k46 n GLU 68 Cb 0.58 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.23 2k46 n GLU 68 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k46 s ASP 69 N 2.00 -0.26 -0.26 4.31 -1.08 -1.26 -4.80 116.67 115.32 2k46 s ASP 69 Ca 0.00 0.42 -0.11 0.00 -0.52 0.00 0.00 52.55 52.34 2k46 s ASP 69 Cb 0.00 1.13 0.02 0.00 -1.46 0.00 0.00 42.92 42.61 2k46 s ASP 69 CO 0.00 -0.07 0.24 -0.24 0.52 0.00 0.00 175.17 175.63 2k46 n SER 70 N 3.49 -7.04 -4.73 -0.34 2.88 -1.26 -4.92 113.62 101.71 2k46 n SER 70 Ca -0.17 0.62 -0.38 0.00 -1.33 0.00 0.00 58.87 57.61 2k46 n SER 70 Cb 0.57 -3.38 -0.06 0.00 -0.75 0.00 0.00 64.21 60.59 2k46 n SER 70 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k46 s PHE 71 N -1.57 3.51 -0.07 0.66 0.40 -1.06 -4.95 117.98 114.90 2k46 s PHE 71 Ca 0.12 0.86 0.02 0.00 -0.60 0.00 0.00 56.93 57.33 2k46 s PHE 71 Cb -0.02 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 41.00 2k46 s PHE 71 CO 0.55 0.19 -0.13 0.20 0.70 0.00 0.00 175.22 176.73 2k46 s GLY 72 N 0.56 0.83 0.02 4.36 0.00 -1.26 -2.25 107.32 109.58 2k46 s GLY 72 Ca 0.25 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.55 2k46 s GLY 72 CO 0.10 0.15 -0.11 -0.19 0.00 0.00 0.00 173.10 173.04 2k46 s TYR 73 N 0.73 2.76 -0.15 1.90 1.51 -1.04 -4.90 117.35 118.16 2k46 s TYR 73 Ca -0.13 -0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2k46 s TYR 73 Cb -0.16 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 2k46 s TYR 73 CO 0.03 0.33 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.17 2k46 s ASP 74 N -1.44 4.03 -0.55 2.29 1.11 -1.26 -2.25 116.67 118.60 2k46 s ASP 74 Ca 0.16 -0.36 0.04 0.00 0.18 0.00 0.00 52.55 52.57 2k46 s ASP 74 Cb -0.11 -1.63 0.15 0.00 1.07 0.00 0.00 42.92 42.39 2k46 s ASP 74 CO 0.07 0.11 0.33 -0.63 1.18 0.00 0.00 175.17 176.23 2k46 s ILE 75 N 0.67 2.30 0.13 0.77 1.09 0.77 -4.91 121.20 122.02 2k46 s ILE 75 Ca -0.06 -3.41 -0.35 0.00 -1.10 0.00 0.00 60.65 55.74 2k46 s ILE 75 Cb -0.15 -2.57 -0.14 0.00 -1.06 0.00 0.00 42.46 38.53 2k46 s ILE 75 CO 0.02 -0.91 1.54 -2.65 -0.10 0.00 0.00 174.94 172.84 2k46 n PRO 76 N 2.84 1.92 -4.31 2.79 -0.02 -1.26 -0.69 135.00 136.26 2k46 n PRO 76 Ca 0.12 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 62.05 2k46 n PRO 76 Cb 0.34 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 2k46 n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 77 N 0.98 1.65 0.00 4.25 1.01 -1.17 -4.91 121.20 123.01 2k46 s ILE 77 Ca 0.81 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2k46 s ILE 77 Cb -0.75 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.23 2k46 s ILE 77 CO 0.41 -0.05 0.01 0.29 0.00 0.00 0.00 174.94 175.60 2k46 n LYS 78 N 1.18 0.00 -4.35 2.79 5.02 -1.26 -4.83 118.16 116.71 2k46 n LYS 78 Ca -0.19 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 55.90 2k46 n LYS 78 Cb 0.54 -0.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.97 2k46 n LYS 78 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2k46 s GLU 79 N 0.00 1.41 0.50 1.97 2.12 -1.26 -5.16 118.70 118.28 2k46 s GLU 79 Ca 0.00 -1.74 0.04 0.00 0.36 0.00 0.00 54.97 53.63 2k46 s GLU 79 Cb 0.00 -0.61 -0.00 0.00 0.26 0.00 0.00 34.13 33.78 2k46 s GLU 79 CO 0.00 -0.15 0.16 -1.21 -0.54 0.00 0.00 175.26 173.52 2k46 s GLU 80 N -3.90 2.21 0.00 4.30 8.01 -1.26 -5.02 118.70 123.04 2k46 s GLU 80 Ca 0.32 -2.19 0.00 0.00 0.01 0.00 0.00 54.97 53.11 2k46 s GLU 80 Cb 0.07 -1.78 0.00 0.00 -4.31 0.00 0.00 34.13 28.10 2k46 s GLU 80 CO 0.11 -0.40 0.00 0.41 0.01 0.00 0.00 175.26 175.39 2k46 n GLY 81 N -1.41 0.59 3.38 -1.39 0.00 -0.93 -4.90 105.19 100.53 2k46 n GLY 81 Ca -0.10 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.28 2.83 -0.20 1.61 2.02 -1.14 -1.74 118.70 120.81 2k46 s GLU 82 Ca 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.74 2k46 s GLU 82 Cb 0.00 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2k46 s GLU 82 CO 0.00 -0.74 0.32 0.71 0.02 0.00 0.00 175.26 175.57 2k46 s TYR 83 N 1.57 3.39 -0.34 1.61 1.51 -0.57 -0.21 117.35 124.30 2k46 s TYR 83 Ca 0.02 0.53 -0.06 0.00 -1.01 0.00 0.00 57.07 56.56 2k46 s TYR 83 Cb -0.20 -2.42 0.04 0.00 -0.11 0.00 0.00 41.96 39.28 2k46 s TYR 83 CO 0.07 0.09 0.10 0.08 -1.11 0.00 0.00 175.55 174.78 2k46 s VAL 84 N 0.99 3.72 -0.56 0.71 1.01 -1.05 -0.32 120.40 124.89 2k46 s VAL 84 Ca 0.16 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 2k46 s VAL 84 Cb -0.14 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.17 2k46 s VAL 84 CO 0.06 -0.19 0.82 -0.22 0.00 0.00 0.00 175.10 175.57 2k46 s LEU 85 N 1.39 4.54 -0.02 3.92 0.20 -1.05 -2.67 118.68 125.00 2k46 s LEU 85 Ca -0.02 -0.75 0.05 0.00 0.69 0.00 0.00 54.13 54.10 2k46 s LEU 85 Cb -0.20 -2.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.96 2k46 s LEU 85 CO 0.02 -1.15 -0.16 0.54 -0.29 0.00 0.00 176.35 175.31 2k46 s VAL 86 N 3.44 2.90 -0.05 1.68 0.11 -0.61 -1.27 120.40 126.60 2k46 s VAL 86 Ca 0.22 -0.91 -0.21 0.00 -2.93 0.00 0.00 61.98 58.15 2k46 s VAL 86 Cb -0.17 -2.16 0.04 0.00 -1.53 0.00 0.00 36.38 32.57 2k46 s VAL 86 CO 0.14 0.50 0.47 -1.48 -3.33 0.00 0.00 175.10 171.40 2k46 s LEU 87 N -0.97 0.21 -0.18 2.54 0.05 -1.09 -1.22 118.68 118.02 2k46 s LEU 87 Ca 0.13 0.43 -0.05 0.00 0.05 0.00 0.00 54.13 54.69 2k46 s LEU 87 Cb -0.11 1.78 -0.03 0.00 -2.05 0.00 0.00 46.19 45.79 2k46 s LEU 87 CO 0.02 -0.47 0.00 -0.75 -0.55 0.00 0.00 176.35 174.60 2k46 s LYS 88 N -1.07 3.70 0.07 1.48 2.36 -1.19 -2.55 119.74 122.53 2k46 s LYS 88 Ca -0.11 -0.49 0.04 0.00 -2.55 0.00 0.00 55.97 52.87 2k46 s LYS 88 Cb -0.03 -3.06 -0.04 0.00 -1.05 0.00 0.00 37.83 33.65 2k46 s LYS 88 CO 0.06 0.12 -0.02 -0.06 1.55 0.00 0.00 175.35 177.00 2k46 s PHE 89 N 0.71 2.96 0.04 4.03 0.08 -0.38 -0.89 117.98 124.53 2k46 s PHE 89 Ca 0.00 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 2k46 s PHE 89 Cb -0.14 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2k46 s PHE 89 CO 0.02 0.46 0.17 0.00 -0.10 0.00 0.00 175.22 175.77 2k46 s ALA 90 N -1.23 -0.29 -0.30 5.36 0.00 -1.14 -2.49 121.76 121.67 2k46 s ALA 90 Ca 0.23 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.62 2k46 s ALA 90 Cb -0.12 0.28 0.20 0.00 0.00 0.00 0.00 23.12 23.48 2k46 s ALA 90 CO 0.15 -0.36 1.40 -2.00 0.00 0.00 0.00 175.76 174.96 2k46 s GLU 91 N -2.62 0.04 -0.29 0.00 2.56 -1.26 -2.05 118.70 115.07 2k46 s GLU 91 Ca -0.05 0.05 -0.15 0.00 0.00 0.00 0.00 54.97 54.82 2k46 s GLU 91 Cb -0.01 0.02 0.15 0.00 2.00 0.00 0.00 34.13 36.28 2k46 s GLU 91 CO -0.04 -0.01 0.93 0.54 -0.56 0.00 0.00 175.26 176.12 2k46 s VAL 92 N 0.35 -0.29 0.00 3.70 0.11 -1.26 -4.78 120.40 118.22 2k46 s VAL 92 Ca 0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2k46 s VAL 92 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2k46 s VAL 92 CO -0.14 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.63 2k46 n TYR 93 N 4.42 0.00 -3.83 1.54 4.19 -1.26 -5.05 117.16 117.17 2k46 n TYR 93 Ca -0.14 0.00 -0.31 0.00 3.31 0.00 0.00 57.90 60.76 2k46 n TYR 93 Cb 0.55 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.27 2k46 n TYR 93 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2k46 s PHE 94 N 0.00 3.59 -0.48 2.98 0.08 -1.26 -5.05 117.98 117.84 2k46 s PHE 94 Ca 0.00 -3.20 -0.33 0.00 0.12 0.00 0.00 56.93 53.52 2k46 s PHE 94 Cb 0.00 -2.89 -0.12 0.00 -0.57 0.00 0.00 43.02 39.44 2k46 s PHE 94 CO 0.00 -0.64 2.31 0.00 -0.10 0.00 0.00 175.22 176.80 2k46 n ALA 95 N 2.31 0.89 -3.65 5.36 0.00 -1.26 -4.86 120.51 119.31 2k46 n ALA 95 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 2k46 n ALA 95 Cb 0.35 -2.62 -0.07 0.00 0.00 0.00 0.00 19.45 17.11 2k46 n ALA 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k46 s GLN 96 N 7.05 0.17 0.35 0.00 2.00 -1.26 -5.18 119.66 122.80 2k46 s GLN 96 Ca 1.12 0.20 0.06 0.00 -2.00 0.00 0.00 55.36 54.74 2k46 s GLN 96 Cb -0.80 0.08 -0.01 0.00 0.80 0.00 0.00 33.01 33.09 2k46 s GLN 96 CO 0.45 -0.02 0.50 0.45 -0.50 0.00 0.00 175.29 176.17 2k46 s SER 97 N 0.05 5.93 0.00 6.67 0.15 -1.26 -4.40 113.70 120.84 2k46 s SER 97 Ca 0.06 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2k46 s SER 97 Cb -0.05 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2k46 s SER 97 CO -0.13 -0.49 0.00 1.67 1.20 0.00 0.00 173.24 175.49 2k46 n GLN 98 N -1.71 0.00 -0.31 5.44 -0.06 -1.26 -4.41 117.38 115.07 2k46 n GLN 98 Ca 0.01 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.16 2k46 n GLN 98 Cb 0.58 0.00 0.32 0.00 -4.06 0.00 0.00 30.24 27.09 2k46 n GLN 98 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 2k46 h GLN 99 N 0.00 0.21 -3.51 3.69 5.75 -2.01 -2.62 115.11 116.62 2k46 h GLN 99 Ca 0.00 -0.01 -0.77 0.00 -0.15 0.00 0.00 58.65 57.72 2k46 h GLN 99 Cb 0.00 -0.05 -0.19 0.00 1.07 0.00 0.00 27.48 28.32 2k46 h GLN 99 CO 0.00 0.14 1.65 1.63 -2.65 0.00 0.00 178.83 179.59 2k46 n LYS 100 N -5.21 3.78 -4.49 1.69 5.02 -1.26 -4.91 118.16 112.78 2k46 n LYS 100 Ca 0.23 -3.81 -0.34 0.00 -2.02 0.00 0.00 58.31 52.38 2k46 n LYS 100 Cb 0.75 -2.84 -0.12 0.00 -0.02 0.00 0.00 35.03 32.80 2k46 n LYS 100 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2k46 s VAL 101 N -0.22 3.78 0.49 -0.18 1.01 -0.99 -3.59 120.40 120.70 2k46 s VAL 101 Ca 0.38 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2k46 s VAL 101 Cb 0.07 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2k46 s VAL 101 CO 0.02 0.52 0.04 -0.36 0.00 0.00 0.00 175.10 175.33 2k46 s PHE 102 N 0.05 1.81 -0.02 5.22 0.08 -0.94 -3.81 117.98 120.37 2k46 s PHE 102 Ca -0.01 -1.08 0.04 0.00 0.12 0.00 0.00 56.93 56.01 2k46 s PHE 102 Cb -0.14 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2k46 s PHE 102 CO 0.03 0.05 -0.15 0.34 -0.10 0.00 0.00 175.22 175.39 2k46 s ASP 103 N -3.81 1.77 -0.05 1.36 -1.08 -1.09 -0.35 116.67 113.42 2k46 s ASP 103 Ca 0.09 -0.28 0.02 0.00 -0.52 0.00 0.00 52.55 51.87 2k46 s ASP 103 Cb 0.01 -0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.18 2k46 s ASP 103 CO 0.06 0.16 -0.10 -0.69 0.52 0.00 0.00 175.17 175.11 2k46 s VAL 104 N -0.18 0.96 0.03 1.11 1.01 -0.55 -1.99 120.40 120.79 2k46 s VAL 104 Ca 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2k46 s VAL 104 Cb -0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2k46 s VAL 104 CO 0.00 0.31 -0.10 -0.13 0.00 0.00 0.00 175.10 175.17 2k46 s ARG 105 N 0.50 0.70 -0.19 2.72 0.52 -0.74 -1.28 118.95 121.17 2k46 s ARG 105 Ca -0.10 -0.65 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2k46 s ARG 105 Cb -0.13 -0.63 0.01 0.00 0.52 0.00 0.00 34.95 34.72 2k46 s ARG 105 CO 0.02 0.15 -0.15 0.14 0.02 0.00 0.00 175.30 175.48 2k46 s VAL 106 N -0.89 2.46 -1.52 3.52 -7.23 0.71 -1.90 120.40 115.55 2k46 s VAL 106 Ca -0.02 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2k46 s VAL 106 Cb -0.07 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2k46 s VAL 106 CO 0.01 0.49 0.00 -3.20 -0.31 0.00 0.00 175.10 172.09 2k46 n ASN 107 N 4.67 -4.72 0.00 4.85 4.05 0.14 -0.41 115.26 123.84 2k46 n ASN 107 Ca -0.20 0.19 0.00 0.00 0.45 0.00 0.00 54.58 55.02 2k46 n ASN 107 Cb 0.50 -4.06 0.00 0.00 1.23 0.00 0.00 39.78 37.45 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k46 n GLY 108 N -0.71 0.75 3.11 8.20 0.00 -1.19 -4.81 105.19 110.54 2k46 n GLY 108 Ca -0.19 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.16 -0.00 1.61 3.76 0.45 -5.03 115.29 117.24 2k46 s HIS 109 Ca 0.00 -2.05 -0.30 0.00 -0.15 0.00 0.00 55.06 52.56 2k46 s HIS 109 Cb 0.00 -1.97 -0.07 0.00 1.11 0.00 0.00 32.58 31.65 2k46 s HIS 109 CO 0.00 -0.84 1.83 0.95 -0.85 0.00 0.00 174.74 175.83 2k46 s THR 110 N 1.18 3.25 -0.07 1.30 -4.23 -1.26 -0.21 115.64 115.61 2k46 s THR 110 Ca -0.05 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2k46 s THR 110 Cb -0.18 -3.20 -0.07 0.00 1.34 0.00 0.00 72.50 70.38 2k46 s THR 110 CO -0.06 -0.03 0.00 0.52 -0.54 0.00 0.00 174.62 174.52 2k46 n VAL 111 N 5.51 0.43 -3.55 2.29 0.31 -0.41 -4.88 118.33 118.04 2k46 n VAL 111 Ca 0.19 -0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 63.98 2k46 n VAL 111 Cb 0.42 -0.82 -0.12 0.00 -0.91 0.00 0.00 33.84 32.40 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -2.15 0.62 -0.99 2.52 1.01 -1.16 -5.04 120.40 115.21 2k46 s VAL 112 Ca -0.05 -2.07 -0.05 0.00 0.00 0.00 0.00 61.98 59.82 2k46 s VAL 112 Cb 0.02 -1.45 0.25 0.00 0.00 0.00 0.00 36.38 35.20 2k46 s VAL 112 CO 0.24 -0.97 0.93 2.29 0.00 0.00 0.00 175.10 177.60 2k46 n LYS 113 N 3.80 3.04 0.00 2.72 2.85 -1.26 -1.48 118.16 127.82 2k46 n LYS 113 Ca 0.12 -4.47 0.00 0.00 -1.05 0.00 0.00 58.31 52.90 2k46 n LYS 113 Cb 0.37 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k46 n ASP 114 N 2.44 0.00 -4.57 -5.58 5.75 0.53 -4.94 116.55 110.18 2k46 n ASP 114 Ca 0.23 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.70 2k46 n ASP 114 Cb 0.38 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.42 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2k46 s LEU 115 N 0.00 3.22 -1.03 -2.12 0.20 0.05 -4.59 118.68 114.41 2k46 s LEU 115 Ca 0.00 -1.41 -0.13 0.00 0.69 0.00 0.00 54.13 53.28 2k46 s LEU 115 Cb 0.00 -2.58 0.22 0.00 -0.43 0.00 0.00 46.19 43.40 2k46 s LEU 115 CO 0.00 -2.60 1.09 -0.62 -0.29 0.00 0.00 176.35 173.93 2k46 s ASP 116 N 6.61 7.01 0.38 3.68 2.15 -1.24 -2.21 116.67 133.05 2k46 s ASP 116 Ca 0.65 -2.97 0.15 0.00 0.43 0.00 0.00 52.55 50.81 2k46 s ASP 116 Cb -0.02 -2.28 1.00 0.00 -0.30 0.00 0.00 42.92 41.31 2k46 s ASP 116 CO 0.06 -0.59 1.80 0.40 -0.17 0.00 0.00 175.17 176.66 2k46 h ILE 117 N 4.53 0.62 -0.16 4.11 2.04 -1.89 -1.41 117.51 125.35 2k46 h ILE 117 Ca 0.19 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2k46 h ILE 117 Cb 0.94 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2k46 h ILE 117 CO 1.01 0.09 0.06 0.15 0.00 0.00 0.00 178.15 179.46 2k46 h PHE 118 N 0.50 0.25 0.00 1.37 3.57 -1.86 -2.76 116.94 118.00 2k46 h PHE 118 Ca 0.55 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.98 2k46 h PHE 118 Cb 1.24 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2k46 h PHE 118 CO -0.00 0.33 -0.24 0.22 -2.23 0.00 0.00 178.31 176.38 2k46 h ASP 119 N 0.09 0.00 0.56 0.41 3.58 -1.57 0.37 116.42 119.86 2k46 h ASP 119 Ca 0.05 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2k46 h ASP 119 Cb 0.19 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.25 2k46 h ASP 119 CO -0.00 0.24 -0.27 0.03 -2.88 0.00 0.00 179.24 176.36 2k46 h ARG 120 N 0.00 -0.73 0.14 0.28 2.47 -1.15 -3.37 114.38 112.03 2k46 h ARG 120 Ca -0.00 0.05 -0.36 0.00 -1.26 0.00 0.00 59.98 58.41 2k46 h ARG 120 Cb 0.51 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 2k46 h ARG 120 CO 0.03 -0.45 -1.88 -0.39 0.56 0.00 0.00 179.97 177.84 2k46 h VAL 121 N -1.15 0.76 0.00 2.04 -1.51 -1.55 -3.49 116.25 111.36 2k46 h VAL 121 Ca -0.08 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 62.96 2k46 h VAL 121 Cb 0.61 2.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2k46 h VAL 121 CO 0.13 0.87 0.00 0.61 -1.23 0.00 0.00 177.57 177.95 2k46 n GLY 122 N 1.92 2.52 3.59 5.19 0.00 0.13 -4.96 105.19 113.58 2k46 n GLY 122 Ca -0.28 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 2k46 n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k46 s HIS 123 N 0.00 2.61 -0.76 1.61 5.65 -1.26 -4.91 115.29 118.24 2k46 s HIS 123 Ca 0.00 -0.24 -0.24 0.00 0.25 0.00 0.00 55.06 54.83 2k46 s HIS 123 Cb 0.00 -1.19 -0.16 0.00 -1.18 0.00 0.00 32.58 30.05 2k46 s HIS 123 CO 0.00 0.60 2.40 0.43 -0.65 0.00 0.00 174.74 177.52 2k46 n SER 124 N -0.54 1.36 0.00 9.88 7.64 -1.26 -4.74 113.62 125.96 2k46 n SER 124 Ca -0.08 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.83 2k46 n SER 124 Cb 0.58 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k46 n THR 125 N 8.02 0.00 -4.26 0.44 -2.24 -1.26 -4.36 114.28 110.63 2k46 n THR 125 Ca 0.49 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.93 2k46 n THR 125 Cb 0.39 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.81 2.90 -0.12 6.98 0.00 -1.26 -4.69 121.76 123.75 2k46 s ALA 126 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2k46 s ALA 126 Cb 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2k46 s ALA 126 CO 0.00 -0.03 0.07 -1.58 0.00 0.00 0.00 175.76 174.22 2k46 s HIS 127 N 0.80 3.37 -0.08 0.00 2.46 -1.04 -4.94 115.29 115.85 2k46 s HIS 127 Ca -0.01 0.32 -0.03 0.00 0.47 0.00 0.00 55.06 55.80 2k46 s HIS 127 Cb -0.15 -1.92 0.04 0.00 -0.13 0.00 0.00 32.58 30.43 2k46 s HIS 127 CO 0.02 0.52 0.17 -0.51 -2.47 0.00 0.00 174.74 172.47 2k46 s ASP 128 N -0.68 -0.02 -0.06 9.88 1.01 -1.26 -1.25 116.67 124.30 2k46 s ASP 128 Ca 0.12 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.80 2k46 s ASP 128 Cb -0.12 0.27 -0.01 0.00 1.01 0.00 0.00 42.92 44.07 2k46 s ASP 128 CO 0.02 -0.17 -0.23 -1.61 0.21 0.00 0.00 175.17 173.40 2k46 s GLU 129 N 1.38 2.40 -0.14 8.23 0.41 -1.06 -5.01 118.70 124.92 2k46 s GLU 129 Ca -0.07 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 2k46 s GLU 129 Cb -0.11 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.21 2k46 s GLU 129 CO -0.07 0.32 -0.14 0.42 -0.49 0.00 0.00 175.26 175.31 2k46 s ILE 130 N -0.06 2.92 -0.55 -1.63 1.01 -1.26 -2.66 121.20 118.98 2k46 s ILE 130 Ca -0.05 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2k46 s ILE 130 Cb -0.14 -2.23 0.15 0.00 0.01 0.00 0.00 42.46 40.26 2k46 s ILE 130 CO 0.04 0.52 0.35 -0.63 0.00 0.00 0.00 174.94 175.22 2k46 s ILE 131 N 0.50 1.99 0.46 2.92 1.01 -0.39 -5.01 121.20 122.68 2k46 s ILE 131 Ca -0.09 -3.34 -0.25 0.00 0.00 0.00 0.00 60.65 56.97 2k46 s ILE 131 Cb -0.16 -2.35 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 2k46 s ILE 131 CO 0.04 -0.97 1.42 -2.84 0.00 0.00 0.00 174.94 172.59 2k46 s PRO 132 N -0.47 3.65 0.08 2.79 0.02 -1.26 -2.52 135.00 137.29 2k46 s PRO 132 Ca 0.23 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.67 2k46 s PRO 132 Cb -0.13 -2.63 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 2k46 s PRO 132 CO -0.09 -0.84 -0.07 0.42 -0.33 0.00 0.00 177.00 176.09 2k46 s ILE 133 N -1.21 0.63 -0.23 2.83 1.01 0.56 -4.44 121.20 120.35 2k46 s ILE 133 Ca 0.62 -1.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2k46 s ILE 133 Cb -0.44 -1.26 0.07 0.00 0.01 0.00 0.00 42.46 40.84 2k46 s ILE 133 CO 0.56 -0.68 0.04 -0.55 0.00 0.00 0.00 174.94 174.31 2k46 s SER 134 N -2.47 3.37 -0.19 3.58 0.15 -1.08 -1.52 113.70 115.54 2k46 s SER 134 Ca 0.03 -1.10 -0.07 0.00 0.70 0.00 0.00 55.95 55.50 2k46 s SER 134 Cb -0.01 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.51 2k46 s SER 134 CO -0.03 -0.33 0.07 -0.63 1.20 0.00 0.00 173.24 173.52 2k46 s ILE 135 N 1.73 4.75 -0.07 6.45 1.01 -0.71 -1.99 121.20 132.37 2k46 s ILE 135 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 2k46 s ILE 135 Cb -0.17 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.17 2k46 s ILE 135 CO -0.13 0.44 0.27 -0.54 0.00 0.00 0.00 174.94 174.99 2k46 s LYS 136 N 0.53 0.42 -1.81 2.79 1.02 -0.52 -2.19 119.74 119.98 2k46 s LYS 136 Ca 0.03 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.21 2k46 s LYS 136 Cb -0.13 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2k46 s LYS 136 CO 0.01 -0.08 0.00 1.17 -0.92 0.00 0.00 175.35 175.53 2k46 n LYS 137 N 2.41 -1.41 -1.01 1.68 4.81 -1.26 -0.68 118.16 122.70 2k46 n LYS 137 Ca -0.16 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 2k46 n LYS 137 Cb 0.57 -5.34 0.00 0.00 0.02 0.00 0.00 35.03 30.28 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k46 n GLY 138 N -0.36 0.70 3.30 3.14 0.00 -1.26 -5.06 105.19 105.65 2k46 n GLY 138 Ca -0.17 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -2.15 1.19 -0.17 1.61 1.02 0.14 -2.65 119.74 118.73 2k46 s LYS 139 Ca 0.00 -1.27 -0.04 0.00 0.02 0.00 0.00 55.97 54.68 2k46 s LYS 139 Cb 0.00 -1.35 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 2k46 s LYS 139 CO 0.00 0.29 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.52 2k46 s LEU 140 N -2.26 3.17 -0.28 3.17 0.20 -0.08 -1.44 118.68 121.16 2k46 s LEU 140 Ca 0.11 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.74 2k46 s LEU 140 Cb -0.08 -1.78 0.06 0.00 -0.43 0.00 0.00 46.19 43.96 2k46 s LEU 140 CO 0.05 0.12 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.63 2k46 s SER 141 N 0.66 4.67 -0.28 3.68 0.15 -0.84 -1.13 113.70 120.62 2k46 s SER 141 Ca -0.02 -1.38 -0.09 0.00 0.70 0.00 0.00 55.95 55.16 2k46 s SER 141 Cb -0.14 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2k46 s SER 141 CO 0.02 -0.23 0.13 0.54 1.20 0.00 0.00 173.24 174.90 2k46 s VAL 142 N 1.16 4.72 0.00 4.45 0.11 -0.51 -2.65 120.40 127.68 2k46 s VAL 142 Ca -0.06 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2k46 s VAL 142 Cb -0.20 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2k46 s VAL 142 CO -0.03 0.24 0.00 0.00 -3.33 0.00 0.00 175.10 171.98 2k46 n GLN 143 N 4.99 0.00 -1.12 1.54 1.13 -1.26 -0.59 117.38 122.06 2k46 n GLN 143 Ca -0.15 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 54.95 2k46 n GLN 143 Cb 0.51 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.91 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k46 n GLY 144 N 0.00 1.75 3.10 1.08 0.00 -1.26 -5.07 105.19 104.79 2k46 n GLY 144 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2k46 n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 145 N -0.64 1.10 -0.10 1.61 2.56 0.24 -5.14 118.70 118.33 2k46 s GLU 145 Ca 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 54.97 54.72 2k46 s GLU 145 Cb 0.31 -1.07 -0.03 0.00 2.00 0.00 0.00 34.13 35.34 2k46 s GLU 145 CO -0.12 0.29 0.03 0.54 -0.56 0.00 0.00 175.26 175.45 2k46 s VAL 146 N -0.34 4.56 -0.29 3.70 0.11 -1.26 -1.42 120.40 125.45 2k46 s VAL 146 Ca 0.05 -0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 2k46 s VAL 146 Cb -0.05 -2.95 0.12 0.00 -1.53 0.00 0.00 36.38 31.97 2k46 s VAL 146 CO -0.00 0.59 0.70 -0.44 -3.33 0.00 0.00 175.10 172.62 2k46 s SER 147 N -0.74 -1.01 0.36 3.54 0.01 -0.28 -5.02 113.70 110.55 2k46 s SER 147 Ca 0.12 1.46 -0.27 0.00 1.31 0.00 0.00 55.95 58.57 2k46 s SER 147 Cb -0.12 1.92 -0.12 0.00 0.21 0.00 0.00 66.02 67.92 2k46 s SER 147 CO 0.02 -0.21 1.17 0.35 0.41 0.00 0.00 173.24 174.98 2k46 n THR 148 N 4.98 2.18 -2.80 1.44 -2.24 -1.26 -0.90 114.28 115.69 2k46 n THR 148 Ca -0.15 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 2k46 n THR 148 Cb 0.53 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.33 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2k46 s PHE 149 N -1.14 3.80 -0.31 4.78 5.36 -1.08 -4.62 117.98 124.76 2k46 s PHE 149 Ca 0.59 1.80 -0.02 0.00 -0.96 0.00 0.00 56.93 58.33 2k46 s PHE 149 Cb -0.58 -2.91 0.12 0.00 -0.34 0.00 0.00 43.02 39.30 2k46 s PHE 149 CO 0.60 0.32 0.18 -0.08 -1.46 0.00 0.00 175.22 174.77 2k46 s THR 150 N -1.44 -0.04 0.00 0.12 -1.32 -1.26 -4.88 115.64 106.82 2k46 s THR 150 Ca 0.46 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2k46 s THR 150 Cb -0.21 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 2k46 s THR 150 CO 0.26 -0.79 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 2k46 n GLY 151 N 4.82 1.27 3.48 6.08 0.00 -1.26 -4.81 105.19 114.77 2k46 n GLY 151 Ca 0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2k46 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k46 s LYS 152 N 0.00 1.91 -0.17 1.61 0.00 -1.26 -3.05 119.74 118.77 2k46 s LYS 152 Ca 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 55.97 54.12 2k46 s LYS 152 Cb 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 37.83 38.22 2k46 s LYS 152 CO 0.00 -0.79 0.10 -1.17 0.00 0.00 0.00 175.35 173.49 2k46 s LEU 153 N -3.24 4.04 -0.24 2.77 0.20 0.13 -4.86 118.68 117.48 2k46 s LEU 153 Ca 0.31 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.35 2k46 s LEU 153 Cb -0.00 -2.02 0.05 0.00 -0.43 0.00 0.00 46.19 43.79 2k46 s LEU 153 CO 0.21 0.22 -0.13 -0.55 -0.29 0.00 0.00 176.35 175.81 2k46 s SER 154 N 0.09 4.16 -0.61 3.68 0.15 -1.26 -0.16 113.70 119.75 2k46 s SER 154 Ca 0.07 -1.24 -0.19 0.00 0.70 0.00 0.00 55.95 55.29 2k46 s SER 154 Cb -0.12 -1.52 0.10 0.00 -1.71 0.00 0.00 66.02 62.78 2k46 s SER 154 CO -0.00 -0.15 0.74 -0.69 1.20 0.00 0.00 173.24 174.34 2k46 s VAL 155 N 1.15 4.79 -0.20 4.45 1.01 -0.95 0.25 120.40 130.89 2k46 s VAL 155 Ca -0.06 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 2k46 s VAL 155 Cb -0.19 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 2k46 s VAL 155 CO -0.07 -1.17 -0.01 -1.61 0.00 0.00 0.00 175.10 172.25 2k46 s GLU 156 N 2.76 3.59 -0.07 2.72 2.02 -0.80 -2.51 118.70 126.41 2k46 s GLU 156 Ca 0.13 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 54.64 2k46 s GLU 156 Cb -0.23 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 2k46 s GLU 156 CO 0.06 0.01 -0.24 -0.59 0.02 0.00 0.00 175.26 174.52 2k46 s PHE 157 N 0.99 2.42 -0.07 1.61 -0.12 -0.95 -1.79 117.98 120.06 2k46 s PHE 157 Ca 0.01 -0.84 -0.04 0.00 -0.05 0.00 0.00 56.93 56.01 2k46 s PHE 157 Cb -0.14 -1.60 -0.04 0.00 -0.63 0.00 0.00 43.02 40.60 2k46 s PHE 157 CO 0.01 -0.30 0.10 0.08 -0.05 0.00 0.00 175.22 175.07 2k46 s VAL 158 N 0.08 5.07 0.53 -2.49 1.01 -0.84 -2.57 120.40 121.19 2k46 s VAL 158 Ca -0.10 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2k46 s VAL 158 Cb -0.15 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 2k46 s VAL 158 CO 0.06 0.50 1.18 -1.59 0.00 0.00 0.00 175.10 175.26 2k46 s LYS 159 N -1.32 3.38 0.00 2.72 0.00 -1.26 -2.68 119.74 120.57 2k46 s LYS 159 Ca 0.19 1.78 0.18 0.00 0.00 0.00 0.00 55.97 58.12 2k46 s LYS 159 Cb -0.12 -2.15 -0.17 0.00 0.00 0.00 0.00 37.83 35.40 2k46 s LYS 159 CO 0.08 -0.87 0.82 0.41 0.00 0.00 0.00 175.35 175.79 2k46 n GLY 160 N 0.40 -0.61 0.94 0.59 0.00 -1.25 -4.87 105.19 100.39 2k46 n GLY 160 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.20 -0.93 -2.68 1.61 9.36 -1.26 -4.91 117.16 117.16 2k46 n TYR 161 Ca 0.04 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.21 2k46 n TYR 161 Cb 0.31 0.24 0.08 0.00 -0.63 0.00 0.00 39.34 39.33 2k46 n TYR 161 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2k46 n TYR 162 N -1.71 -1.05 0.00 2.98 9.36 -1.26 -5.01 117.16 120.48 2k46 n TYR 162 Ca 0.00 -0.91 0.00 0.00 3.32 0.00 0.00 57.90 60.31 2k46 n TYR 162 Cb 0.00 1.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.90 2k46 n TYR 162 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2k46 n ASP 163 N 1.40 0.00 -1.26 2.98 2.03 -1.26 -5.10 116.55 115.34 2k46 n ASP 163 Ca 0.02 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.47 2k46 n ASP 163 Cb 0.70 0.01 -0.08 0.00 -0.72 0.00 0.00 41.12 41.03 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k46 n ASN 164 N -0.86 -6.82 -4.50 1.67 3.02 -1.26 -4.47 115.26 102.05 2k46 n ASN 164 Ca 0.00 1.30 -0.41 0.00 -0.03 0.00 0.00 54.58 55.44 2k46 n ASN 164 Cb 0.00 -4.30 -0.15 0.00 -0.61 0.00 0.00 39.78 34.72 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k46 n PRO 165 N -3.89 0.00 -0.30 3.52 -0.02 -1.26 -4.74 135.00 128.31 2k46 n PRO 165 Ca -0.08 -0.00 0.21 0.00 -2.02 0.00 0.00 63.50 61.62 2k46 n PRO 165 Cb 0.58 -1.51 0.50 0.00 -0.02 0.00 0.00 33.50 33.05 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k46 h LYS 166 N 11.99 0.40 -5.21 -0.52 3.64 -1.78 -3.40 116.57 121.69 2k46 h LYS 166 Ca -0.05 -0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.76 2k46 h LYS 166 Cb 1.31 -0.09 -0.31 0.00 -0.41 0.00 0.00 32.23 32.73 2k46 h LYS 166 CO 1.39 0.27 -0.83 0.08 -2.27 0.00 0.00 179.45 178.08 2k46 s VAL 167 N -5.48 1.36 -0.05 2.00 1.01 -0.87 -4.58 120.40 113.78 2k46 s VAL 167 Ca -0.09 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2k46 s VAL 167 Cb 0.24 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2k46 s VAL 167 CO 0.79 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 176.19 2k46 n ALA 169 N 3.70 4.53 -0.80 0.00 0.00 -0.07 -0.45 120.51 127.43 2k46 n ALA 169 Ca -0.22 -3.60 -0.30 0.00 0.00 0.00 0.00 53.44 49.32 2k46 n ALA 169 Cb 0.52 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.76 -0.29 -3.22 0.00 -0.00 0.17 -3.17 117.00 109.73 2k46 n LEU 170 Ca 0.36 0.63 -0.01 0.00 -0.00 0.00 0.00 56.01 56.98 2k46 n LEU 170 Cb 0.91 -0.51 -0.02 0.00 -0.00 0.00 0.00 43.42 43.79 2k46 n LEU 170 CO 0.28 -1.30 0.03 0.12 -0.00 0.00 0.00 177.39 176.53 2k46 s PHE 171 N -0.23 -1.51 -0.19 1.96 5.36 -0.36 -0.95 117.98 122.06 2k46 s PHE 171 Ca 0.44 0.68 -0.05 0.00 -0.96 0.00 0.00 56.93 57.04 2k46 s PHE 171 Cb -0.62 0.13 -0.03 0.00 -0.34 0.00 0.00 43.02 42.17 2k46 s PHE 171 CO 0.31 -1.06 -0.00 -1.50 -1.46 0.00 0.00 175.22 171.51 2k46 s ILE 172 N 2.59 4.01 0.37 3.12 2.07 0.03 -1.58 121.20 131.82 2k46 s ILE 172 Ca 0.11 -0.30 0.08 0.00 -1.41 0.00 0.00 60.65 59.13 2k46 s ILE 172 Cb -0.10 -2.80 -0.05 0.00 0.13 0.00 0.00 42.46 39.63 2k46 s ILE 172 CO -0.25 0.44 0.09 0.00 -1.91 0.00 0.00 174.94 173.30 2k46 s MET 173 N 0.86 2.15 0.08 3.50 0.00 -1.09 -2.72 119.30 122.09 2k46 s MET 173 Ca 0.01 -1.79 0.10 0.00 0.00 0.00 0.00 55.69 54.00 2k46 s MET 173 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 34.83 32.71 2k46 s MET 173 CO 0.02 0.03 -0.26 -1.59 0.00 0.00 0.00 175.02 173.21 2k46 s LYS 174 N -3.80 1.62 0.00 3.16 -2.85 -0.94 -2.52 119.74 114.42 2k46 s LYS 174 Ca 0.37 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2k46 s LYS 174 Cb 0.02 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2k46 s LYS 174 CO 0.21 0.48 0.00 0.41 0.10 0.00 0.00 175.35 176.55 2k46 n GLY 175 N 1.37 2.75 0.00 0.59 0.00 0.71 -4.79 105.19 105.82 2k46 n GLY 175 Ca -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 0.15 2.61 -2.24 -0.24 -2.88 114.28 111.68 2k46 n THR 176 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2k46 n THR 176 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.71 -0.37 6.98 0.00 -1.94 -3.34 119.26 121.30 2k46 h ALA 177 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k46 h ALA 177 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k46 h ALA 177 CO 0.00 0.01 0.24 0.22 0.00 0.00 0.00 179.25 179.72 2k46 h ASP 178 N 0.00 0.41 -0.60 0.00 3.58 -1.99 -2.24 116.42 115.59 2k46 h ASP 178 Ca -0.00 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.50 2k46 h ASP 178 Cb 1.00 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.90 2k46 h ASP 178 CO 0.00 0.30 0.31 -0.78 -2.88 0.00 0.00 179.24 176.19 2k46 h ASP 179 N 0.49 0.44 0.00 2.28 1.82 -1.91 -3.42 116.42 116.12 2k46 h ASP 179 Ca 0.13 0.03 -0.40 0.00 -0.39 0.00 0.00 57.03 56.41 2k46 h ASP 179 Cb -0.05 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 39.84 2k46 h ASP 179 CO -0.03 0.29 1.44 0.52 -1.61 0.00 0.00 179.24 179.85 2k46 n VAL 180 N -4.85 0.00 -1.59 2.25 0.31 -0.84 -4.80 118.33 108.81 2k46 n VAL 180 Ca 0.07 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.94 2k46 n VAL 180 Cb 0.17 -0.39 -0.01 0.00 -0.91 0.00 0.00 33.84 32.70 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k46 n PRO 181 N 6.82 1.34 -2.82 5.55 -0.02 -1.26 -4.89 135.00 139.71 2k46 n PRO 181 Ca 0.54 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 62.06 2k46 n PRO 181 Cb 0.03 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2k46 n PRO 181 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2k46 s MET 182 N -1.59 3.42 0.39 -0.52 -1.94 -1.26 -4.92 119.30 112.88 2k46 s MET 182 Ca 0.59 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 2k46 s MET 182 Cb -0.69 -4.74 0.00 0.00 2.01 0.00 0.00 34.83 31.41 2k46 s MET 182 CO 0.60 -1.88 0.00 1.28 -0.01 0.00 0.00 175.02 175.01 2k46 n LEU 183 N 7.45 -0.77 -4.32 -0.03 7.99 -1.26 -4.92 117.00 121.15 2k46 n LEU 183 Ca 0.16 1.71 -0.28 0.00 -0.01 0.00 0.00 56.01 57.59 2k46 n LEU 183 Cb 0.48 -4.45 -0.14 0.00 -0.11 0.00 0.00 43.42 39.20 2k46 n LEU 183 CO 0.58 -3.48 -0.55 0.00 -1.51 0.00 0.00 177.39 172.43 2k46 s GLN 184 N -2.65 1.62 -0.18 3.23 -2.07 -1.26 -5.08 119.66 113.26 2k46 s GLN 184 Ca 0.00 -1.08 -0.41 0.00 -1.82 0.00 0.00 55.36 52.05 2k46 s GLN 184 Cb 0.00 -1.81 -0.18 0.00 -1.09 0.00 0.00 33.01 29.94 2k46 s GLN 184 CO 0.00 0.46 1.48 -2.30 -1.32 0.00 0.00 175.29 173.61 2k46 n PRO 185 N 1.71 0.67 -4.33 9.60 -0.02 -1.26 -4.96 135.00 136.41 2k46 n PRO 185 Ca -0.17 0.24 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 2k46 n PRO 185 Cb 0.52 -1.84 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 2k46 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2k46 s HIS 186 N 1.96 1.93 0.00 6.00 2.46 -1.26 -5.14 115.29 121.25 2k46 s HIS 186 Ca 0.95 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 55.54 2k46 s HIS 186 Cb -1.18 -1.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 2k46 s HIS 186 CO 0.63 -0.50 0.00 -0.35 -2.47 0.00 0.00 174.74 172.05 2k46 n PRO 187 N 4.35 1.95 0.00 2.88 -0.04 -1.26 -5.13 135.00 137.75 2k46 n PRO 187 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2k46 n PRO 187 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 5.00 2.72 3.41 0.55 0.00 -1.26 -5.13 105.19 110.48 2k46 n GLY 188 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2k46 n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k46 s LEU 189 N 0.00 3.59 0.00 0.99 2.01 -1.26 -5.38 118.68 118.62 2k46 s LEU 189 Ca 0.00 -0.39 0.30 0.00 0.01 0.00 0.00 54.13 54.05 2k46 s LEU 189 Cb 0.00 -1.91 1.45 0.00 0.01 0.00 0.00 46.19 45.74 2k46 s LEU 189 CO 0.00 -0.09 1.97 -0.62 1.01 0.00 0.00 176.35 178.62