#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghe s SER 2 N 0.00 -0.52 0.00 1.69 1.04 -1.26 -5.13 113.70 109.51 3ghe s SER 2 Ca 0.00 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.43 3ghe s SER 2 Cb 0.00 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.13 3ghe s SER 2 CO 0.00 -0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.05 3ghe n ALA 3 N 2.90 0.00 -1.77 5.32 0.00 -1.26 -5.15 120.51 120.55 3ghe n ALA 3 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 3ghe n ALA 3 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 3ghe n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ghe s LEU 4 N 0.00 4.28 -0.16 0.00 1.43 -1.26 -4.63 118.68 118.34 3ghe s LEU 4 Ca 0.00 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3ghe s LEU 4 Cb 0.00 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 42.27 3ghe s LEU 4 CO 0.00 -0.42 -0.10 -0.89 0.23 0.00 0.00 176.35 175.17 3ghe s THR 5 N -1.46 1.42 0.00 5.49 2.01 -0.58 -4.41 115.64 118.12 3ghe s THR 5 Ca 0.53 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3ghe s THR 5 Cb -0.27 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3ghe s THR 5 CO 0.34 0.28 -0.13 0.00 -0.69 0.00 0.00 174.62 174.42 3ghe s GLN 6 N 1.52 0.98 0.31 4.92 -2.07 -1.26 -2.07 119.66 121.98 3ghe s GLN 6 Ca 0.02 -0.50 -0.28 0.00 -1.82 0.00 0.00 55.36 52.77 3ghe s GLN 6 Cb -0.14 -0.95 -0.13 0.00 -1.09 0.00 0.00 33.01 30.69 3ghe s GLN 6 CO -0.09 0.26 1.19 -0.35 -1.32 0.00 0.00 175.29 174.98 3ghe n PRO 7 N 2.60 1.81 -0.11 9.60 -0.04 -1.26 -4.71 135.00 142.88 3ghe n PRO 7 Ca -0.15 0.63 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3ghe n PRO 7 Cb 0.56 -2.14 0.49 0.00 -0.04 0.00 0.00 33.50 32.36 3ghe n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ghe h ALA 8 N 2.51 2.01 -2.77 0.55 0.00 -1.97 -3.36 119.26 116.23 3ghe h ALA 8 Ca -0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3ghe h ALA 8 Cb 1.31 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 3ghe h ALA 8 CO 0.63 -0.16 0.20 -1.54 0.00 0.00 0.00 179.25 178.38 3ghe s SER 9 N -6.18 -0.58 0.01 0.00 1.04 -1.26 -1.09 113.70 105.64 3ghe s SER 9 Ca -0.08 0.15 -0.13 0.00 0.48 0.00 0.00 55.95 56.38 3ghe s SER 9 Cb 0.20 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.92 3ghe s SER 9 CO 0.75 -0.89 0.26 0.68 0.98 0.00 0.00 173.24 175.03 3ghe s VAL 11 N -3.18 0.07 0.18 5.02 -7.23 -0.44 -4.89 120.40 109.93 3ghe s VAL 11 Ca -0.02 -0.62 0.07 0.00 -1.81 0.00 0.00 61.98 59.60 3ghe s VAL 11 Cb -0.01 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 3ghe s VAL 11 CO -0.08 -0.34 -0.13 -0.44 -0.31 0.00 0.00 175.10 173.80 3ghe s SER 12 N -1.60 2.28 -0.12 4.85 0.01 -1.26 -0.86 113.70 117.00 3ghe s SER 12 Ca -0.11 -0.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.86 3ghe s SER 12 Cb -0.04 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.22 3ghe s SER 12 CO 0.01 -0.21 0.97 -0.83 0.41 0.00 0.00 173.24 173.59 3ghe s GLY 13 N -3.15 -0.32 0.16 3.44 0.00 -0.84 -4.96 107.32 101.65 3ghe s GLY 13 Ca 0.19 1.76 0.02 0.00 0.00 0.00 0.00 44.72 46.68 3ghe s GLY 13 CO 0.05 0.85 0.31 -0.56 0.00 0.00 0.00 173.10 173.75 3ghe s SER 14 N -1.47 6.35 0.17 1.64 0.01 -1.26 -1.89 113.70 117.26 3ghe s SER 14 Ca -0.00 0.23 -0.32 0.00 1.31 0.00 0.00 55.95 57.17 3ghe s SER 14 Cb -0.01 -1.94 -0.16 0.00 0.21 0.00 0.00 66.02 64.13 3ghe s SER 14 CO -0.01 0.03 1.05 -2.65 0.41 0.00 0.00 173.24 172.07 3ghe n PRO 15 N -0.56 0.91 0.00 12.44 -0.02 -1.26 -1.85 135.00 144.66 3ghe n PRO 15 Ca -0.06 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3ghe n PRO 15 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3ghe n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghe n GLY 16 N 1.86 3.06 3.89 -1.23 0.00 -0.81 -4.90 105.19 107.07 3ghe n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3ghe n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ghe s GLN 17 N -0.32 0.86 0.17 1.61 -0.21 -0.77 -3.84 119.66 117.16 3ghe s GLN 17 Ca 0.00 -0.21 0.08 0.00 0.02 0.00 0.00 55.36 55.25 3ghe s GLN 17 Cb 0.00 -1.85 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 3ghe s GLN 17 CO 0.00 -2.30 -0.07 -1.12 -2.12 0.00 0.00 175.29 169.69 3ghe s SER 18 N -4.69 4.43 0.02 5.90 0.01 -1.26 -0.94 113.70 117.17 3ghe s SER 18 Ca 0.70 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 3ghe s SER 18 Cb -0.07 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.34 3ghe s SER 18 CO 0.52 0.11 0.17 -0.51 0.41 0.00 0.00 173.24 173.94 3ghe s ILE 19 N -1.67 0.10 -0.02 1.44 2.07 -0.12 -4.99 121.20 118.02 3ghe s ILE 19 Ca 0.25 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 3ghe s ILE 19 Cb -0.09 -0.70 -0.00 0.00 0.13 0.00 0.00 42.46 41.79 3ghe s ILE 19 CO 0.16 -0.45 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.76 3ghe s THR 20 N -2.02 0.79 -0.13 4.00 2.01 -1.26 -1.05 115.64 117.98 3ghe s THR 20 Ca -0.09 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3ghe s THR 20 Cb -0.04 -0.69 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 3ghe s THR 20 CO -0.01 0.24 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.33 3ghe s ILE 21 N 0.01 2.40 0.34 1.82 1.01 -0.39 -4.99 121.20 121.40 3ghe s ILE 21 Ca -0.00 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3ghe s ILE 21 Cb -0.07 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3ghe s ILE 21 CO 0.00 0.54 0.50 -0.94 0.00 0.00 0.00 174.94 175.04 3ghe s SER 22 N 0.60 6.00 -0.35 3.58 1.04 -1.26 -1.31 113.70 121.99 3ghe s SER 22 Ca -0.11 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.31 3ghe s SER 22 Cb -0.16 -1.38 0.16 0.00 0.10 0.00 0.00 66.02 64.74 3ghe s SER 22 CO 0.03 -0.44 0.46 0.00 0.98 0.00 0.00 173.24 174.27 3ghe s THR 24 N 1.98 4.64 0.00 0.00 -4.23 -0.88 -1.08 115.64 116.07 3ghe s THR 24 Ca 0.14 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 3ghe s THR 24 Cb -0.11 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3ghe s THR 24 CO -0.15 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.57 3ghe n GLY 25 N -2.58 0.72 3.81 3.99 0.00 -1.14 -1.52 105.19 108.46 3ghe n GLY 25 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3ghe n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghe s THR 26 N -2.22 2.49 0.28 2.61 -4.23 -0.27 -4.70 115.64 109.60 3ghe s THR 26 Ca 0.00 0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.37 3ghe s THR 26 Cb 0.00 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 3ghe s THR 26 CO 0.00 -0.21 1.30 -0.55 -0.54 0.00 0.00 174.62 174.63 3ghe s SER 27 N -4.03 6.84 0.00 3.99 0.15 -1.22 -4.63 113.70 114.80 3ghe s SER 27 Ca 0.62 2.57 0.16 0.00 0.70 0.00 0.00 55.95 60.01 3ghe s SER 27 Cb -0.14 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.71 3ghe s SER 27 CO 0.53 -0.51 1.07 0.35 1.20 0.00 0.00 173.24 175.88 3ghe n THR 27 N 1.48 0.14 -1.95 6.45 -2.24 -1.26 -4.33 114.28 112.57 3ghe n THR 27 Ca 0.02 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 3ghe n THR 27 Cb 0.42 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 3ghe n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ghe s ASP 27 N -1.32 6.60 0.35 3.42 -0.00 -1.26 -4.84 116.67 119.62 3ghe s ASP 27 Ca 0.21 2.63 0.05 0.00 -0.00 0.00 0.00 52.55 55.45 3ghe s ASP 27 Cb 0.14 -2.60 0.71 0.00 -0.00 0.00 0.00 42.92 41.18 3ghe s ASP 27 CO 0.21 -0.80 1.95 1.62 -0.00 0.00 0.00 175.17 178.15 3ghe h VAL 27 N 3.90 1.02 0.00 -1.27 3.04 -1.99 0.29 116.25 121.23 3ghe h VAL 27 Ca -0.43 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 3ghe h VAL 27 Cb 1.21 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 3ghe h VAL 27 CO 0.88 0.14 0.00 0.59 -1.01 0.00 0.00 177.57 178.17 3ghe n ASN 28 N -4.48 0.00 0.00 3.17 3.02 -1.26 -3.55 115.26 112.16 3ghe n ASN 28 Ca 0.11 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 3ghe n ASN 28 Cb 0.23 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 3ghe n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ghe n GLY 29 N 0.85 -0.18 0.25 7.41 0.00 -0.60 -4.82 105.19 108.11 3ghe n GLY 29 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3ghe n GLY 29 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ghe h TYR 30 N 0.00 0.48 0.00 1.61 3.20 -0.52 -1.95 116.97 119.80 3ghe h TYR 30 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3ghe h TYR 30 Cb 0.45 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3ghe h TYR 30 CO 0.00 0.11 0.00 0.09 -1.64 0.00 0.00 178.16 176.72 3ghe n ASN 31 N -4.97 0.00 -4.51 -2.11 3.02 -1.26 -4.57 115.26 100.85 3ghe n ASN 31 Ca 0.11 0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 3ghe n ASN 31 Cb 0.32 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 3ghe n ASN 31 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ghe s TYR 32 N -2.88 2.72 -0.07 3.10 5.04 -0.73 -3.29 117.35 121.24 3ghe s TYR 32 Ca 0.14 -0.92 -0.08 0.00 -2.44 0.00 0.00 57.07 53.77 3ghe s TYR 32 Cb 0.15 -4.51 0.02 0.00 0.35 0.00 0.00 41.96 37.97 3ghe s TYR 32 CO 0.39 -1.77 0.22 0.08 -1.34 0.00 0.00 175.55 173.13 3ghe s VAL 33 N 4.17 0.01 0.22 3.14 1.01 -1.26 -2.62 120.40 125.06 3ghe s VAL 33 Ca 0.38 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 3ghe s VAL 33 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 3ghe s VAL 33 CO -0.05 -0.04 0.37 -0.94 0.00 0.00 0.00 175.10 174.44 3ghe s SER 34 N -0.05 -0.02 0.01 3.32 1.04 -0.35 -1.06 113.70 116.59 3ghe s SER 34 Ca -0.02 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3ghe s SER 34 Cb -0.02 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 3ghe s SER 34 CO 0.01 -1.02 -0.01 0.26 0.98 0.00 0.00 173.24 173.45 3ghe s TRP 35 N -4.03 0.11 0.05 5.02 0.52 0.56 -0.96 118.94 120.21 3ghe s TRP 35 Ca 0.24 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.23 3ghe s TRP 35 Cb 0.02 -0.08 -0.03 0.00 -1.15 0.00 0.00 33.47 32.23 3ghe s TRP 35 CO 0.07 -0.06 -0.16 0.71 0.02 0.00 0.00 176.95 177.52 3ghe s TYR 36 N -0.51 1.40 -0.03 -1.98 1.51 -0.35 -1.60 117.35 115.79 3ghe s TYR 36 Ca -0.05 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3ghe s TYR 36 Cb -0.04 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.97 3ghe s TYR 36 CO -0.00 0.07 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.32 3ghe s GLN 37 N -1.34 2.71 -0.11 -0.62 0.74 0.32 -1.65 119.66 119.71 3ghe s GLN 37 Ca 0.03 -0.61 -0.04 0.00 0.05 0.00 0.00 55.36 54.79 3ghe s GLN 37 Cb -0.09 -2.59 0.06 0.00 1.10 0.00 0.00 33.01 31.49 3ghe s GLN 37 CO 0.02 0.64 0.21 -1.14 -0.55 0.00 0.00 175.29 174.47 3ghe s GLN 38 N -1.18 0.09 0.23 1.67 0.74 0.22 -0.43 119.66 121.01 3ghe s GLN 38 Ca 0.15 0.65 -0.15 0.00 0.05 0.00 0.00 55.36 56.06 3ghe s GLN 38 Cb -0.11 -0.15 -0.08 0.00 1.10 0.00 0.00 33.01 33.77 3ghe s GLN 38 CO 0.05 -0.29 0.65 0.71 -0.55 0.00 0.00 175.29 175.86 3ghe s TYR 39 N 2.31 3.51 -0.21 1.67 1.51 -1.26 -0.74 117.35 124.15 3ghe s TYR 39 Ca 0.02 1.15 -0.40 0.00 -1.01 0.00 0.00 57.07 56.83 3ghe s TYR 39 Cb -0.12 -2.46 -0.17 0.00 -0.11 0.00 0.00 41.96 39.10 3ghe s TYR 39 CO -0.07 0.27 1.59 0.00 -1.11 0.00 0.00 175.55 176.24 3ghe n ALA 40 N 0.25 -0.73 -0.17 3.71 0.00 -1.26 -0.12 120.51 122.18 3ghe n ALA 40 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3ghe n ALA 40 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3ghe n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghe n GLY 41 N 3.62 2.62 3.98 0.00 0.00 -1.26 -5.01 105.19 109.15 3ghe n GLY 41 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 3ghe n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghe s LYS 42 N -0.01 2.61 0.42 1.61 -0.14 0.82 -5.11 119.74 119.93 3ghe s LYS 42 Ca 0.00 -1.44 -0.09 0.00 -1.36 0.00 0.00 55.97 53.08 3ghe s LYS 42 Cb 0.00 -2.62 -0.06 0.00 -1.68 0.00 0.00 37.83 33.47 3ghe s LYS 42 CO 0.00 -0.42 0.76 0.00 -0.76 0.00 0.00 175.35 174.93 3ghe s ALA 43 N -2.48 3.38 0.97 5.17 0.00 -1.26 -4.60 121.76 122.94 3ghe s ALA 43 Ca 0.54 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 3ghe s ALA 43 Cb -0.07 -2.65 0.17 0.00 0.00 0.00 0.00 23.12 20.57 3ghe s ALA 43 CO 0.33 -0.08 1.10 -2.14 0.00 0.00 0.00 175.76 174.96 3ghe s PRO 44 N -4.06 0.61 -0.10 0.00 0.02 -1.26 -4.58 135.00 125.64 3ghe s PRO 44 Ca 0.50 1.19 -0.04 0.00 0.02 0.00 0.00 61.00 62.67 3ghe s PRO 44 Cb -0.10 -1.71 0.05 0.00 0.02 0.00 0.00 34.50 32.76 3ghe s PRO 44 CO 0.35 -2.79 0.21 0.21 -0.33 0.00 0.00 177.00 174.65 3ghe s LYS 45 N -4.67 0.12 0.10 5.54 2.20 0.43 -4.93 119.74 118.53 3ghe s LYS 45 Ca 0.66 0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 56.55 3ghe s LYS 45 Cb -0.22 -0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 35.87 3ghe s LYS 45 CO 0.59 -0.25 1.55 -1.17 -0.36 0.00 0.00 175.35 175.72 3ghe s LEU 46 N 1.95 4.36 0.00 5.43 2.96 -1.26 -0.52 118.68 131.59 3ghe s LEU 46 Ca -0.02 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.34 3ghe s LEU 46 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3ghe s LEU 46 CO -0.07 -0.81 0.00 2.30 -1.32 0.00 0.00 176.35 176.45 3ghe n ILE 47 N 4.37 0.00 -3.69 6.68 -5.35 -0.63 -4.75 119.36 115.99 3ghe n ILE 47 Ca 0.14 -0.13 -0.10 0.00 -0.27 0.00 0.00 62.75 62.39 3ghe n ILE 47 Cb 0.41 0.59 -0.11 0.00 -1.74 0.00 0.00 39.64 38.79 3ghe n ILE 47 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ghe s ILE 48 N -1.26 -0.05 0.10 7.28 -1.09 -1.16 -4.24 121.20 120.78 3ghe s ILE 48 Ca 0.00 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3ghe s ILE 48 Cb 0.00 -0.63 -0.04 0.00 -1.58 0.00 0.00 42.46 40.21 3ghe s ILE 48 CO 0.00 0.04 -0.02 0.72 -1.23 0.00 0.00 174.94 174.45 3ghe s PHE 49 N 1.46 0.80 -1.33 3.97 -0.12 -0.81 -0.33 117.98 121.63 3ghe s PHE 49 Ca -0.09 -1.05 -0.01 0.00 -0.05 0.00 0.00 56.93 55.72 3ghe s PHE 49 Cb -0.08 -0.49 0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3ghe s PHE 49 CO -0.13 -0.32 0.71 -0.25 -0.05 0.00 0.00 175.22 175.18 3ghe n ASP 50 N -0.03 -1.45 0.00 1.98 8.00 -0.22 -0.94 116.55 123.89 3ghe n ASP 50 Ca -0.10 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3ghe n ASP 50 Cb 0.62 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 3ghe n ASP 50 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ghe n VAL 51 N -4.32 0.00 -2.22 2.53 0.31 -0.29 -3.97 118.33 110.37 3ghe n VAL 51 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3ghe n VAL 51 Cb 0.66 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.59 3ghe n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ghe n SER 52 N 0.61 0.22 -4.90 4.52 3.41 -1.17 -3.64 113.62 112.68 3ghe n SER 52 Ca 0.00 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.39 3ghe n SER 52 Cb 0.00 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 3ghe n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ghe s LYS 53 N 0.00 3.45 -0.15 4.33 1.02 -0.12 -4.66 119.74 123.61 3ghe s LYS 53 Ca 0.15 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 3ghe s LYS 53 Cb 0.17 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3ghe s LYS 53 CO -0.08 0.68 -0.10 1.03 -0.92 0.00 0.00 175.35 175.97 3ghe s ARG 54 N -1.88 3.44 0.61 1.68 0.52 -1.26 -1.93 118.95 120.14 3ghe s ARG 54 Ca 0.27 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.65 3ghe s ARG 54 Cb -0.13 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 3ghe s ARG 54 CO 0.18 0.15 1.21 -2.14 0.02 0.00 0.00 175.30 174.71 3ghe s PRO 55 N 0.54 2.89 0.31 3.54 0.02 -1.26 -4.89 135.00 136.15 3ghe s PRO 55 Ca -0.07 1.82 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 3ghe s PRO 55 Cb -0.15 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 3ghe s PRO 55 CO 0.03 -1.26 1.50 -1.54 -0.33 0.00 0.00 177.00 175.40 3ghe s SER 56 N -1.65 6.46 0.00 2.53 1.04 -1.26 -2.27 113.70 118.55 3ghe s SER 56 Ca 0.77 2.89 0.00 0.00 0.48 0.00 0.00 55.95 60.10 3ghe s SER 56 Cb -0.30 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.17 3ghe s SER 56 CO 0.34 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3ghe n GLY 57 N 1.54 2.10 3.70 7.32 0.00 -1.26 -5.06 105.19 113.52 3ghe n GLY 57 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ghe n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghe s VAL 58 N -2.22 4.82 0.27 1.61 1.01 -0.96 -4.99 120.40 119.94 3ghe s VAL 58 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 3ghe s VAL 58 Cb 0.00 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 3ghe s VAL 58 CO 0.00 0.06 1.36 -0.24 0.00 0.00 0.00 175.10 176.29 3ghe n SER 59 N 4.61 2.72 0.00 3.32 2.88 -1.26 -4.85 113.62 121.04 3ghe n SER 59 Ca 0.07 1.16 0.03 0.00 -1.33 0.00 0.00 58.87 58.81 3ghe n SER 59 Cb 0.50 -1.44 0.19 0.00 -0.75 0.00 0.00 64.21 62.70 3ghe n SER 59 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ghe n ASN 60 N 1.74 0.00 0.17 -3.46 0.23 -1.26 -1.39 115.26 111.29 3ghe n ASN 60 Ca 0.10 -0.42 0.13 0.00 -0.53 0.00 0.00 54.58 53.86 3ghe n ASN 60 Cb 0.33 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.35 3ghe n ASN 60 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ghe h ARG 61 N 0.00 0.00 -4.94 -3.83 3.08 -1.90 -3.42 114.38 103.37 3ghe h ARG 61 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3ghe h ARG 61 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 29.88 3ghe h ARG 61 CO 0.00 0.00 -0.45 -0.06 -1.07 0.00 0.00 179.97 178.39 3ghe s PHE 62 N -3.20 3.23 0.08 3.04 0.40 -0.49 -1.80 117.98 119.23 3ghe s PHE 62 Ca 0.08 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 3ghe s PHE 62 Cb 0.09 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 3ghe s PHE 62 CO 0.62 -0.21 -0.10 -1.54 0.70 0.00 0.00 175.22 174.69 3ghe s SER 63 N 1.73 1.31 0.06 1.36 1.04 -0.44 -4.96 113.70 113.80 3ghe s SER 63 Ca 0.09 -0.71 0.07 0.00 0.48 0.00 0.00 55.95 55.88 3ghe s SER 63 Cb -0.16 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 3ghe s SER 63 CO 0.11 -0.22 -0.20 -0.83 0.98 0.00 0.00 173.24 173.07 3ghe s GLY 64 N -2.10 1.13 0.24 7.32 0.00 -1.26 -0.83 107.32 111.82 3ghe s GLY 64 Ca 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.54 3ghe s GLY 64 CO 0.00 -1.06 0.35 -1.35 0.00 0.00 0.00 173.10 171.04 3ghe s SER 65 N -1.44 0.14 -0.17 1.64 1.04 -0.42 -4.32 113.70 110.18 3ghe s SER 65 Ca 0.06 -1.17 -0.25 0.00 0.48 0.00 0.00 55.95 55.07 3ghe s SER 65 Cb -0.09 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.61 3ghe s SER 65 CO 0.03 -1.05 0.64 -0.75 0.98 0.00 0.00 173.24 173.08 3ghe s LYS 66 N -3.95 0.85 -0.18 4.02 2.20 -1.26 -0.98 119.74 120.44 3ghe s LYS 66 Ca 0.30 0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 56.44 3ghe s LYS 66 Cb 0.02 0.41 0.06 0.00 -1.51 0.00 0.00 37.83 36.81 3ghe s LYS 66 CO 0.12 -0.17 0.43 -1.54 -0.36 0.00 0.00 175.35 173.82 3ghe s SER 67 N -0.26 -0.50 0.63 1.43 1.04 -0.98 -5.03 113.70 110.02 3ghe s SER 67 Ca -0.04 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.33 3ghe s SER 67 Cb -0.03 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.98 3ghe s SER 67 CO 0.04 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3ghe n GLY 68 N 4.43 1.98 0.76 7.32 0.00 -1.26 -2.24 105.19 116.18 3ghe n GLY 68 Ca -0.21 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.36 3ghe n GLY 68 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ghe n ASP 69 N 2.25 2.37 -4.56 1.61 5.68 -1.26 -4.83 116.55 117.81 3ghe n ASP 69 Ca 0.00 -1.79 -0.41 0.00 -0.50 0.00 0.00 54.79 52.09 3ghe n ASP 69 Cb 0.00 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 3ghe n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ghe s THR 70 N -1.97 5.06 0.13 2.12 2.01 -0.95 -1.12 115.64 120.93 3ghe s THR 70 Ca 0.33 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.55 3ghe s THR 70 Cb 0.20 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 3ghe s THR 70 CO 0.31 -0.17 0.39 0.00 -0.69 0.00 0.00 174.62 174.47 3ghe s ALA 71 N 2.29 3.76 -0.02 7.40 0.00 -0.24 -2.33 121.76 132.63 3ghe s ALA 71 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3ghe s ALA 71 Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.80 3ghe s ALA 71 CO 0.13 0.64 0.01 -1.12 0.00 0.00 0.00 175.76 175.41 3ghe s SER 72 N -2.25 0.20 -0.12 0.00 0.01 -0.15 -0.45 113.70 110.94 3ghe s SER 72 Ca 0.39 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.61 3ghe s SER 72 Cb -0.12 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3ghe s SER 72 CO 0.23 -0.07 0.04 -0.22 0.41 0.00 0.00 173.24 173.62 3ghe s LEU 73 N 0.67 3.74 -0.08 2.44 2.96 -0.43 -1.30 118.68 126.69 3ghe s LEU 73 Ca -0.06 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3ghe s LEU 73 Cb -0.09 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3ghe s LEU 73 CO -0.02 0.31 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.31 3ghe s THR 74 N -0.44 1.15 -0.19 3.68 2.01 -0.01 -1.27 115.64 120.57 3ghe s THR 74 Ca 0.09 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.63 3ghe s THR 74 Cb -0.12 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.34 3ghe s THR 74 CO 0.02 0.36 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.51 3ghe s ILE 75 N 0.84 2.23 0.29 1.82 1.01 -0.21 -1.33 121.20 125.84 3ghe s ILE 75 Ca -0.11 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.67 3ghe s ILE 75 Cb -0.15 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3ghe s ILE 75 CO 0.02 0.50 0.43 -0.94 0.00 0.00 0.00 174.94 174.95 3ghe s SER 76 N 1.31 6.20 -1.38 3.58 1.04 -0.75 -0.94 113.70 122.76 3ghe s SER 76 Ca 0.05 0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 3ghe s SER 76 Cb -0.13 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.28 3ghe s SER 76 CO -0.11 -0.23 0.41 0.61 0.98 0.00 0.00 173.24 174.90 3ghe n GLY 77 N -1.56 -0.35 3.50 7.32 0.00 -0.77 -4.77 105.19 108.56 3ghe n GLY 77 Ca -0.06 0.21 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 3ghe n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ghe n LEU 78 N -4.45 0.22 -4.43 0.99 4.77 -0.12 -4.50 117.00 109.48 3ghe n LEU 78 Ca -0.27 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.60 3ghe n LEU 78 Cb 0.67 -1.03 -0.11 0.00 -2.33 0.00 0.00 43.42 40.61 3ghe n LEU 78 CO 0.76 -1.97 -0.51 -1.10 -1.33 0.00 0.00 177.39 173.24 3ghe s GLN 79 N -0.39 1.55 0.47 3.23 -0.21 -1.26 -1.93 119.66 121.13 3ghe s GLN 79 Ca 0.77 -1.61 0.19 0.00 0.02 0.00 0.00 55.36 54.74 3ghe s GLN 79 Cb -1.03 -1.75 1.19 0.00 1.00 0.00 0.00 33.01 32.43 3ghe s GLN 79 CO 0.55 0.36 1.97 0.00 -2.12 0.00 0.00 175.29 176.04 3ghe h ALA 80 N 2.84 2.25 0.00 6.09 0.00 -1.94 0.01 119.26 128.51 3ghe h ALA 80 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ghe h ALA 80 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ghe h ALA 80 CO 0.53 -0.41 0.00 -0.85 0.00 0.00 0.00 179.25 178.52 3ghe n GLU 81 N -4.44 0.76 0.09 0.00 0.28 -1.26 -2.85 120.64 113.22 3ghe n GLU 81 Ca 0.11 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.24 3ghe n GLU 81 Cb 0.52 -1.50 0.40 0.00 1.43 0.00 0.00 31.44 32.29 3ghe n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ghe n ASP 82 N -1.12 0.73 -4.62 -1.84 10.43 -0.01 -4.79 116.55 115.34 3ghe n ASP 82 Ca 0.20 0.52 -0.43 0.00 2.57 0.00 0.00 54.79 57.65 3ghe n ASP 82 Cb 0.16 -0.67 -0.03 0.00 1.84 0.00 0.00 41.12 42.42 3ghe n ASP 82 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3ghe s GLU 83 N -3.10 3.46 0.00 -1.24 2.12 -1.13 -4.84 118.70 113.96 3ghe s GLU 83 Ca 0.11 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.52 3ghe s GLU 83 Cb 0.13 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.25 3ghe s GLU 83 CO 0.60 -1.73 0.00 0.00 -0.54 0.00 0.00 175.26 173.60 3ghe n ALA 84 N 10.25 0.00 -2.79 6.30 0.00 -1.15 -4.90 120.51 128.22 3ghe n ALA 84 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 3ghe n ALA 84 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 3ghe n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ghe s ASP 85 N -0.46 5.86 -0.09 0.00 1.01 0.09 -0.82 116.67 122.24 3ghe s ASP 85 Ca 0.00 0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.60 3ghe s ASP 85 Cb 0.00 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.15 3ghe s ASP 85 CO 0.00 0.38 -0.18 -0.31 0.21 0.00 0.00 175.17 175.27 3ghe s TYR 86 N -0.99 2.07 -0.08 4.23 1.51 0.15 -0.61 117.35 123.64 3ghe s TYR 86 Ca 0.15 -0.86 0.05 0.00 -1.01 0.00 0.00 57.07 55.40 3ghe s TYR 86 Cb -0.12 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 3ghe s TYR 86 CO 0.05 -0.39 -0.24 -1.01 -1.11 0.00 0.00 175.55 172.84 3ghe s HIS 87 N 0.59 2.49 0.12 2.71 3.76 -0.66 0.15 115.29 124.45 3ghe s HIS 87 Ca -0.15 -0.86 -0.05 0.00 -0.15 0.00 0.00 55.06 53.86 3ghe s HIS 87 Cb -0.17 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 3ghe s HIS 87 CO 0.05 -0.30 0.35 0.00 -0.85 0.00 0.00 174.74 173.98 3ghe s SER 89 N -2.34 1.75 0.20 0.00 0.15 -0.14 -0.65 113.70 112.67 3ghe s SER 89 Ca 0.39 -0.48 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 3ghe s SER 89 Cb -0.12 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 3ghe s SER 89 CO 0.24 0.03 0.50 -0.55 1.20 0.00 0.00 173.24 174.66 3ghe s SER 90 N -1.21 -0.21 0.41 5.45 0.15 -0.80 -1.21 113.70 116.28 3ghe s SER 90 Ca 0.02 -0.57 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 3ghe s SER 90 Cb -0.08 0.57 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 3ghe s SER 90 CO 0.01 -1.06 0.81 -0.47 1.20 0.00 0.00 173.24 173.73 3ghe s TYR 91 N -3.90 3.44 -0.08 3.44 5.04 -1.08 -0.47 117.35 123.75 3ghe s TYR 91 Ca 0.11 1.16 -0.06 0.00 -2.44 0.00 0.00 57.07 55.85 3ghe s TYR 91 Cb -0.01 -2.53 0.03 0.00 0.35 0.00 0.00 41.96 39.80 3ghe s TYR 91 CO -0.01 -0.11 0.20 -0.08 -1.34 0.00 0.00 175.55 174.21 3ghe s THR 92 N -2.34 -0.02 -1.75 4.34 -1.32 0.03 -3.40 115.64 111.18 3ghe s THR 92 Ca 0.53 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 3ghe s THR 92 Cb -0.10 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 3ghe s THR 92 CO 0.28 0.03 0.61 -1.54 -2.21 0.00 0.00 174.62 171.79 3ghe n SER 93 N 3.46 0.00 -4.09 8.08 3.41 -1.26 -4.08 113.62 119.14 3ghe n SER 93 Ca -0.18 0.12 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 3ghe n SER 93 Cb 0.56 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 3ghe n SER 93 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ghe s SER 94 N -2.23 0.69 0.13 4.04 1.04 -1.26 -4.99 113.70 111.12 3ghe s SER 94 Ca 0.00 -0.88 -0.25 0.00 0.48 0.00 0.00 55.95 55.31 3ghe s SER 94 Cb 0.00 0.14 -0.14 0.00 0.10 0.00 0.00 66.02 66.11 3ghe s SER 94 CO 0.00 -0.47 0.51 1.07 0.98 0.00 0.00 173.24 175.33 3ghe n THR 95 N 0.44 1.32 1.55 2.02 5.66 -1.26 -1.01 114.28 122.99 3ghe n THR 95 Ca -0.16 -0.33 0.02 0.00 -3.05 0.00 0.00 64.05 60.53 3ghe n THR 95 Cb 0.59 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.42 3ghe n THR 95 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3ghe n PRO 95 N 0.89 1.29 0.00 1.09 -0.04 -1.26 -4.98 135.00 131.99 3ghe n PRO 95 Ca 0.15 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 3ghe n PRO 95 Cb 0.18 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3ghe n PRO 95 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ghe n TYR 95 N -0.15 0.00 -3.90 0.54 4.02 -0.18 -4.86 117.16 112.64 3ghe n TYR 95 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.65 3ghe n TYR 95 Cb 0.12 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.28 3ghe n TYR 95 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3ghe s VAL 96 N 0.00 1.12 0.41 -0.72 1.01 -1.26 -0.79 120.40 120.16 3ghe s VAL 96 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3ghe s VAL 96 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3ghe s VAL 96 CO 0.00 0.16 0.38 -0.76 0.00 0.00 0.00 175.10 174.88 3ghe s LEU 97 N 1.63 3.44 0.02 3.92 1.43 0.38 -4.94 118.68 124.57 3ghe s LEU 97 Ca 0.01 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3ghe s LEU 97 Cb -0.15 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 3ghe s LEU 97 CO -0.08 -0.62 -0.11 -0.36 0.23 0.00 0.00 176.35 175.42 3ghe s PHE 98 N -2.44 0.94 0.60 0.29 0.40 -1.26 -1.91 117.98 114.60 3ghe s PHE 98 Ca 0.48 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 56.43 3ghe s PHE 98 Cb -0.04 -0.58 0.14 0.00 0.51 0.00 0.00 43.02 43.05 3ghe s PHE 98 CO 0.28 -0.01 0.66 0.41 0.70 0.00 0.00 175.22 177.26 3ghe n GLY 99 N 2.32 -1.98 0.14 4.36 0.00 0.17 -4.58 105.19 105.62 3ghe n GLY 99 Ca -0.16 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.40 3ghe n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ghe h GLY 100 N -1.33 0.00 0.00 -0.02 0.00 -1.85 -3.45 103.07 96.42 3ghe h GLY 100 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3ghe h GLY 100 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.31 3ghe n GLY 101 N 1.08 1.81 3.22 4.60 0.00 -1.26 -5.04 105.19 109.61 3ghe n GLY 101 Ca 0.05 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 3ghe n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ghe s THR 102 N -1.36 2.36 -0.37 2.61 2.01 0.12 -4.43 115.64 116.58 3ghe s THR 102 Ca 0.00 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 3ghe s THR 102 Cb 0.00 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.55 3ghe s THR 102 CO 0.00 0.53 0.75 -0.75 -0.69 0.00 0.00 174.62 174.47 3ghe s LYS 103 N 0.75 3.71 -0.25 4.92 2.47 -0.25 -0.67 119.74 130.41 3ghe s LYS 103 Ca -0.08 0.22 -0.14 0.00 -1.56 0.00 0.00 55.97 54.42 3ghe s LYS 103 Cb -0.16 -3.82 -0.04 0.00 -1.46 0.00 0.00 37.83 32.35 3ghe s LYS 103 CO 0.00 -0.85 0.31 -1.17 0.16 0.00 0.00 175.35 173.80 3ghe s LEU 104 N 3.03 4.09 -0.12 5.43 0.20 -0.00 -1.32 118.68 129.98 3ghe s LEU 104 Ca 0.30 0.27 -0.02 0.00 0.69 0.00 0.00 54.13 55.37 3ghe s LEU 104 Cb -0.13 -2.33 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 3ghe s LEU 104 CO 0.17 -0.08 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.22 3ghe s THR 105 N 1.59 3.88 -0.41 3.68 2.01 -0.04 -2.95 115.64 123.40 3ghe s THR 105 Ca 0.13 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 3ghe s THR 105 Cb -0.15 -2.66 0.07 0.00 0.01 0.00 0.00 72.50 69.77 3ghe s THR 105 CO 0.08 0.54 0.24 -0.69 -0.69 0.00 0.00 174.62 174.10 3ghe s VAL 106 N -0.12 4.15 -0.76 3.82 1.01 -1.26 -1.99 120.40 125.25 3ghe s VAL 106 Ca 0.02 -1.39 -0.25 0.00 0.00 0.00 0.00 61.98 60.37 3ghe s VAL 106 Cb -0.13 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 3ghe s VAL 106 CO 0.03 -0.48 2.40 0.18 0.00 0.00 0.00 175.10 177.23 3ghe n LEU 106 N 4.89 1.57 0.01 3.92 4.77 -0.79 -4.72 117.00 126.65 3ghe n LEU 106 Ca -0.10 -1.18 0.11 0.00 -0.03 0.00 0.00 56.01 54.81 3ghe n LEU 106 Cb 0.43 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 3ghe n LEU 106 CO 0.38 -2.29 0.02 0.61 -1.33 0.00 0.00 177.39 174.79 3ghe n GLY 107 N 6.54 -1.10 3.22 -0.72 0.00 -1.26 -4.57 105.19 107.29 3ghe n GLY 107 Ca 0.47 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3ghe n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ghe s GLN 108 N -3.08 1.10 0.59 1.61 -2.07 -1.26 -5.15 119.66 111.39 3ghe s GLN 108 Ca 0.07 -1.54 -0.17 0.00 -1.82 0.00 0.00 55.36 51.89 3ghe s GLN 108 Cb 0.16 -0.05 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 3ghe s GLN 108 CO 0.82 -0.22 1.11 -1.25 -1.32 0.00 0.00 175.29 174.43 3ghe s PRO 109 N -4.00 3.17 0.63 9.60 0.04 -1.26 -4.98 135.00 138.20 3ghe s PRO 109 Ca 0.27 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 3ghe s PRO 109 Cb 0.07 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3ghe s PRO 109 CO 0.05 -0.97 1.29 1.17 0.04 0.00 0.00 177.00 178.58 3ghe n LYS 110 N -1.76 1.20 -3.68 4.56 4.81 -1.26 -4.84 118.16 117.19 3ghe n LYS 110 Ca 0.11 0.47 -0.17 0.00 -0.87 0.00 0.00 58.31 57.84 3ghe n LYS 110 Cb 0.52 -2.52 -0.16 0.00 0.02 0.00 0.00 35.03 32.88 3ghe n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ghe s ALA 111 N -1.37 -0.04 0.50 3.14 0.00 0.15 -4.93 121.76 119.20 3ghe s ALA 111 Ca 0.81 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 3ghe s ALA 111 Cb -0.39 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.98 3ghe s ALA 111 CO 0.42 -0.46 1.09 0.00 0.00 0.00 0.00 175.76 176.81 3ghe s ALA 112 N 2.04 2.84 0.45 0.00 0.00 -1.26 -1.89 121.76 123.94 3ghe s ALA 112 Ca 0.01 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 3ghe s ALA 112 Cb -0.12 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 3ghe s ALA 112 CO -0.05 -0.52 1.08 -1.25 0.00 0.00 0.00 175.76 175.02 3ghe s PRO 113 N -3.11 3.88 -0.15 0.00 0.04 -1.26 -4.47 135.00 129.91 3ghe s PRO 113 Ca 0.68 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 63.17 3ghe s PRO 113 Cb -0.21 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 3ghe s PRO 113 CO 0.25 -0.40 0.19 -1.12 0.04 0.00 0.00 177.00 175.96 3ghe s SER 114 N -1.65 6.35 -0.08 6.66 0.01 0.52 -4.90 113.70 120.60 3ghe s SER 114 Ca 0.63 0.41 0.03 0.00 1.31 0.00 0.00 55.95 58.34 3ghe s SER 114 Cb -0.22 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3ghe s SER 114 CO 0.27 0.24 -0.18 -0.69 0.41 0.00 0.00 173.24 173.29 3ghe s VAL 115 N -0.12 1.60 -0.10 3.43 1.01 -1.26 -1.21 120.40 123.75 3ghe s VAL 115 Ca 0.13 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3ghe s VAL 115 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3ghe s VAL 115 CO 0.02 0.46 -0.14 -0.89 0.00 0.00 0.00 175.10 174.55 3ghe s THR 116 N 0.51 1.41 -0.11 3.92 2.01 -0.63 -4.98 115.64 117.77 3ghe s THR 116 Ca -0.17 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.26 3ghe s THR 116 Cb -0.17 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3ghe s THR 116 CO 0.06 0.42 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.01 3ghe s LEU 117 N 0.98 2.43 -0.07 4.42 2.96 -1.26 -0.79 118.68 127.35 3ghe s LEU 117 Ca -0.07 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3ghe s LEU 117 Cb -0.15 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3ghe s LEU 117 CO -0.01 0.18 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.74 3ghe s PHE 118 N 0.27 2.85 0.70 5.38 0.08 0.05 -4.97 117.98 122.34 3ghe s PHE 118 Ca -0.13 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 3ghe s PHE 118 Cb -0.16 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.66 3ghe s PHE 118 CO 0.07 0.24 1.00 -1.25 -0.10 0.00 0.00 175.22 175.18 3ghe s PRO 119 N -0.69 2.10 0.47 0.24 0.04 -1.26 -1.73 135.00 134.17 3ghe s PRO 119 Ca 0.10 -0.40 -0.24 0.00 0.04 0.00 0.00 61.00 60.50 3ghe s PRO 119 Cb -0.11 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 3ghe s PRO 119 CO 0.01 -1.26 1.32 -2.14 0.04 0.00 0.00 177.00 174.97 3ghe s PRO 120 N -5.22 3.61 0.39 0.56 0.02 -1.23 -4.80 135.00 128.34 3ghe s PRO 120 Ca 0.61 2.17 -0.23 0.00 0.02 0.00 0.00 61.00 63.57 3ghe s PRO 120 Cb -0.10 -2.52 -0.11 0.00 0.02 0.00 0.00 34.50 31.80 3ghe s PRO 120 CO 0.44 -0.79 0.95 -1.54 -0.33 0.00 0.00 177.00 175.73 3ghe s SER 121 N -0.87 7.07 0.43 2.53 1.04 -1.26 -4.91 113.70 117.74 3ghe s SER 121 Ca 0.63 1.74 0.12 0.00 0.48 0.00 0.00 55.95 58.92 3ghe s SER 121 Cb -0.38 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.18 3ghe s SER 121 CO 0.48 -0.26 2.02 0.77 0.98 0.00 0.00 173.24 177.23 3ghe h SER 122 N 2.33 0.37 -0.61 7.02 4.64 -1.98 0.28 113.55 125.60 3ghe h SER 122 Ca -0.48 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 3ghe h SER 122 Cb 1.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3ghe h SER 122 CO 0.62 0.24 0.10 -0.33 -0.87 0.00 0.00 176.83 176.60 3ghe h GLU 123 N 0.42 1.01 -0.35 4.77 5.08 -1.97 0.16 114.58 123.69 3ghe h GLU 123 Ca 0.21 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3ghe h GLU 123 Cb 0.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ghe h GLU 123 CO -0.05 0.95 -0.25 1.49 -1.00 0.00 0.00 179.01 180.14 3ghe h GLU 124 N 0.92 0.80 -0.14 2.33 4.81 -1.48 -2.54 114.58 119.27 3ghe h GLU 124 Ca 0.19 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3ghe h GLU 124 Cb 0.42 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3ghe h GLU 124 CO 0.01 1.01 0.07 -0.07 -0.73 0.00 0.00 179.01 179.30 3ghe h LEU 125 N 0.58 0.10 0.00 1.64 3.38 -0.71 -0.08 115.31 120.23 3ghe h LEU 125 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ghe h LEU 125 Cb 0.82 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ghe h LEU 125 CO 0.07 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3ghe n GLN 126 N -5.03 0.01 -0.57 1.13 6.02 0.54 0.65 117.38 120.13 3ghe n GLN 126 Ca -0.04 0.40 0.09 0.00 -0.01 0.00 0.00 57.00 57.43 3ghe n GLN 126 Cb 0.04 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.13 3ghe n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ghe n ALA 127 N -1.46 3.05 -3.42 -1.58 0.00 -0.09 -4.95 120.51 112.06 3ghe n ALA 127 Ca 0.01 -1.70 -0.20 0.00 0.00 0.00 0.00 53.44 51.55 3ghe n ALA 127 Cb 0.04 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 18.66 3ghe n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ghe n ASN 128 N 0.74 -5.15 -3.84 0.00 5.15 0.21 -5.02 115.26 107.35 3ghe n ASN 128 Ca 0.24 -0.49 -0.09 0.00 -0.60 0.00 0.00 54.58 53.64 3ghe n ASN 128 Cb 0.87 -4.49 -0.05 0.00 -0.53 0.00 0.00 39.78 35.58 3ghe n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ghe s LYS 129 N -5.98 1.34 -0.20 1.20 1.02 -0.90 -4.75 119.74 111.47 3ghe s LYS 129 Ca 0.42 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.28 3ghe s LYS 129 Cb -0.19 0.47 0.07 0.00 -0.52 0.00 0.00 37.83 37.66 3ghe s LYS 129 CO 0.64 -0.55 0.50 0.00 -0.92 0.00 0.00 175.35 175.02 3ghe s ALA 130 N -3.92 -1.31 -0.05 5.17 0.00 -1.15 -2.53 121.76 117.97 3ghe s ALA 130 Ca 0.13 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.90 3ghe s ALA 130 Cb 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.06 3ghe s ALA 130 CO -0.00 -0.30 -0.02 0.99 0.00 0.00 0.00 175.76 176.43 3ghe s THR 131 N 1.47 0.42 -0.15 0.00 2.01 -1.26 -1.16 115.64 116.96 3ghe s THR 131 Ca -0.10 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 3ghe s THR 131 Cb -0.07 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 3ghe s THR 131 CO -0.15 0.22 0.24 -0.76 -0.69 0.00 0.00 174.62 173.48 3ghe s LEU 132 N 1.22 4.28 -0.23 4.42 1.43 -0.49 -3.52 118.68 125.80 3ghe s LEU 132 Ca -0.06 0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3ghe s LEU 132 Cb -0.14 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3ghe s LEU 132 CO -0.02 0.19 -0.05 -0.69 0.23 0.00 0.00 176.35 176.02 3ghe s VAL 133 N 0.04 3.19 -0.35 -1.59 1.01 -0.71 -2.10 120.40 119.89 3ghe s VAL 133 Ca 0.15 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3ghe s VAL 133 Cb -0.13 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.79 3ghe s VAL 133 CO 0.03 0.33 0.13 0.00 0.00 0.00 0.00 175.10 175.60 3ghe s LEU 135 N 1.39 3.92 -0.12 0.00 1.43 0.03 -1.49 118.68 123.83 3ghe s LEU 135 Ca -0.01 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3ghe s LEU 135 Cb -0.20 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3ghe s LEU 135 CO 0.02 -0.03 -0.09 -0.63 0.23 0.00 0.00 176.35 175.85 3ghe s ILE 136 N 1.64 3.44 0.26 -0.59 1.01 -0.26 -1.61 121.20 125.08 3ghe s ILE 136 Ca 0.07 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 3ghe s ILE 136 Cb -0.16 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 3ghe s ILE 136 CO 0.09 0.53 0.50 -0.94 0.00 0.00 0.00 174.94 175.12 3ghe s SER 137 N 0.10 -0.06 -1.53 3.58 1.04 -0.35 -1.57 113.70 114.92 3ghe s SER 137 Ca -0.04 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.33 3ghe s SER 137 Cb -0.14 0.60 0.08 0.00 0.10 0.00 0.00 66.02 66.66 3ghe s SER 137 CO 0.04 -1.17 0.96 0.47 0.98 0.00 0.00 173.24 174.52 3ghe n ASP 138 N -0.44 -4.54 -4.66 7.02 8.00 -0.59 -0.36 116.55 120.97 3ghe n ASP 138 Ca -0.02 -0.79 -0.25 0.00 0.71 0.00 0.00 54.79 54.44 3ghe n ASP 138 Cb 0.62 -3.86 -0.07 0.00 -0.02 0.00 0.00 41.12 37.79 3ghe n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3ghe s PHE 139 N -3.33 2.79 -0.26 1.24 -0.71 -0.99 -4.56 117.98 112.16 3ghe s PHE 139 Ca 0.63 -0.17 -0.19 0.00 -1.04 0.00 0.00 56.93 56.15 3ghe s PHE 139 Cb -0.31 -1.31 0.07 0.00 -1.21 0.00 0.00 43.02 40.26 3ghe s PHE 139 CO 0.83 0.55 0.67 -0.47 -1.34 0.00 0.00 175.22 175.47 3ghe s TYR 140 N -1.97 -0.89 0.95 3.49 5.04 -0.79 0.23 117.35 123.41 3ghe s TYR 140 Ca 0.29 1.95 -0.11 0.00 -2.44 0.00 0.00 57.07 56.76 3ghe s TYR 140 Cb -0.08 0.44 0.17 0.00 0.35 0.00 0.00 41.96 42.83 3ghe s TYR 140 CO 0.19 -0.44 1.10 -2.14 -1.34 0.00 0.00 175.55 172.93 3ghe s PRO 141 N 1.01 0.75 -1.30 4.97 0.02 -1.26 -0.68 135.00 138.51 3ghe s PRO 141 Ca -0.05 1.24 -0.10 0.00 0.02 0.00 0.00 61.00 62.11 3ghe s PRO 141 Cb -0.05 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.69 3ghe s PRO 141 CO -0.09 -2.72 2.50 0.41 -0.33 0.00 0.00 177.00 176.76 3ghe n GLY 142 N -0.01 3.76 3.03 0.52 0.00 -1.26 -4.81 105.19 106.43 3ghe n GLY 142 Ca 0.09 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3ghe n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghe s ALA 143 N 2.96 -0.55 0.20 4.61 0.00 -1.26 -4.78 121.76 122.95 3ghe s ALA 143 Ca 0.56 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 3ghe s ALA 143 Cb 0.15 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 3ghe s ALA 143 CO -0.04 -0.34 0.38 0.14 0.00 0.00 0.00 175.76 175.90 3ghe s VAL 144 N 1.63 0.03 -0.00 0.00 -7.23 -1.26 -4.60 120.40 108.97 3ghe s VAL 144 Ca -0.06 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3ghe s VAL 144 Cb -0.11 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 3ghe s VAL 144 CO -0.08 -0.15 -0.04 0.42 -0.31 0.00 0.00 175.10 174.94 3ghe s THR 145 N -3.98 0.29 -0.02 5.32 -4.23 -0.98 -4.99 115.64 107.05 3ghe s THR 145 Ca 0.19 -0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.59 3ghe s THR 145 Cb 0.01 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 3ghe s THR 145 CO 0.03 0.08 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.31 3ghe s VAL 146 N -0.10 2.69 -0.03 2.29 1.01 -1.26 -1.09 120.40 123.90 3ghe s VAL 146 Ca 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3ghe s VAL 146 Cb -0.02 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3ghe s VAL 146 CO -0.00 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.57 3ghe s ALA 147 N -0.74 0.71 0.19 5.51 0.00 0.04 -4.98 121.76 122.48 3ghe s ALA 147 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.96 3ghe s ALA 147 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3ghe s ALA 147 CO 0.01 0.07 0.08 -1.58 0.00 0.00 0.00 175.76 174.34 3ghe s TRP 148 N 0.45 2.99 -0.01 0.00 0.52 -1.26 0.26 118.94 121.89 3ghe s TRP 148 Ca -0.06 -0.09 0.00 0.00 0.02 0.00 0.00 56.10 55.97 3ghe s TRP 148 Cb -0.10 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 3ghe s TRP 148 CO 0.00 0.53 0.01 0.15 0.02 0.00 0.00 176.95 177.66 3ghe s LYS 149 N -3.18 0.03 -0.43 4.98 1.02 -0.14 -2.19 119.74 119.82 3ghe s LYS 149 Ca 0.30 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 56.19 3ghe s LYS 149 Cb -0.09 -0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.11 3ghe s LYS 149 CO 0.21 -0.07 0.41 0.00 -0.92 0.00 0.00 175.35 174.99 3ghe s ALA 150 N 0.45 3.45 0.00 5.17 0.00 0.08 -0.72 121.76 130.19 3ghe s ALA 150 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.27 3ghe s ALA 150 Cb -0.06 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3ghe s ALA 150 CO -0.01 -1.61 0.00 -0.25 0.00 0.00 0.00 175.76 173.89 3ghe n ASP 151 N 5.49 0.00 -0.08 0.00 8.00 0.50 -1.60 116.55 128.86 3ghe n ASP 151 Ca -0.09 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.43 3ghe n ASP 151 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 3ghe n ASP 151 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ghe n SER 152 N 8.83 1.21 -4.69 -2.24 3.41 -1.26 -4.69 113.62 114.19 3ghe n SER 152 Ca 0.00 -1.90 -0.32 0.00 -0.26 0.00 0.00 58.87 56.39 3ghe n SER 152 Cb 0.00 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3ghe n SER 152 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ghe s SER 153 N -1.04 5.12 0.62 4.04 0.01 -0.63 -5.06 113.70 116.76 3ghe s SER 153 Ca 0.06 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 3ghe s SER 153 Cb 0.05 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 3ghe s SER 153 CO 0.01 0.25 1.24 -2.84 0.41 0.00 0.00 173.24 172.31 3ghe s PRO 154 N -1.75 2.77 -0.12 12.44 0.02 -1.26 -0.74 135.00 146.36 3ghe s PRO 154 Ca 0.21 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 3ghe s PRO 154 Cb -0.12 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.57 3ghe s PRO 154 CO 0.12 -1.38 0.13 0.54 -0.33 0.00 0.00 177.00 176.08 3ghe s VAL 155 N -1.54 -0.19 -0.38 3.83 0.11 -0.93 -4.70 120.40 116.60 3ghe s VAL 155 Ca 0.79 0.15 0.12 0.00 -2.93 0.00 0.00 61.98 60.11 3ghe s VAL 155 Cb -0.33 -0.40 -0.15 0.00 -1.53 0.00 0.00 36.38 33.97 3ghe s VAL 155 CO 0.36 -0.02 0.42 0.29 -3.33 0.00 0.00 175.10 172.82 3ghe n LYS 156 N 5.31 2.22 -2.68 1.54 5.02 -1.26 -4.33 118.16 123.96 3ghe n LYS 156 Ca -0.05 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3ghe n LYS 156 Cb 0.50 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 3ghe n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ghe s ALA 157 N -2.35 3.23 -0.25 7.82 0.00 -1.26 -3.72 121.76 125.23 3ghe s ALA 157 Ca 0.02 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3ghe s ALA 157 Cb 0.08 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3ghe s ALA 157 CO 0.49 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3ghe n GLY 158 N 2.56 0.30 3.49 0.00 0.00 -1.26 -4.72 105.19 105.57 3ghe n GLY 158 Ca 0.04 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3ghe n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghe s VAL 159 N -2.14 4.13 -0.15 1.61 1.01 -1.24 -0.43 120.40 123.18 3ghe s VAL 159 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3ghe s VAL 159 Cb 0.00 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3ghe s VAL 159 CO 0.00 0.44 -0.08 -1.61 0.00 0.00 0.00 175.10 173.85 3ghe s GLU 160 N 0.79 1.71 -0.07 2.72 0.41 0.05 -4.98 118.70 119.33 3ghe s GLU 160 Ca 0.01 -0.48 0.03 0.00 -0.41 0.00 0.00 54.97 54.12 3ghe s GLU 160 Cb -0.14 -1.94 0.01 0.00 -1.78 0.00 0.00 34.13 30.27 3ghe s GLU 160 CO 0.02 -0.34 -0.17 0.99 -0.49 0.00 0.00 175.26 175.27 3ghe s THR 161 N 1.60 1.48 0.75 3.63 2.01 -1.26 -0.03 115.64 123.83 3ghe s THR 161 Ca 0.03 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 3ghe s THR 161 Cb -0.14 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.11 3ghe s THR 161 CO -0.09 0.43 1.10 0.42 -0.69 0.00 0.00 174.62 175.80 3ghe s THR 162 N 0.41 3.19 0.58 -0.82 -4.23 -0.58 -5.02 115.64 109.17 3ghe s THR 162 Ca -0.13 0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 3ghe s THR 162 Cb -0.15 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 3ghe s THR 162 CO 0.05 -0.50 1.00 0.42 -0.54 0.00 0.00 174.62 175.04 3ghe s THR 163 N -3.29 4.68 0.74 3.99 -4.23 -1.26 -4.66 115.64 111.61 3ghe s THR 163 Ca 0.60 0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 61.90 3ghe s THR 163 Cb -0.12 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.92 3ghe s THR 163 CO 0.53 -1.02 1.09 -2.84 -0.54 0.00 0.00 174.62 171.83 3ghe s PRO 164 N -4.88 2.49 -0.07 3.99 0.02 -1.26 -4.76 135.00 130.53 3ghe s PRO 164 Ca 0.55 1.16 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 3ghe s PRO 164 Cb -0.11 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.51 3ghe s PRO 164 CO 0.48 -1.46 0.29 -1.54 -0.33 0.00 0.00 177.00 174.43 3ghe s SER 165 N -3.35 -0.23 0.21 2.53 1.04 -0.48 -4.97 113.70 108.45 3ghe s SER 165 Ca 0.61 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 3ghe s SER 165 Cb -0.17 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.33 3ghe s SER 165 CO 0.53 -0.25 1.27 -0.75 0.98 0.00 0.00 173.24 175.02 3ghe s LYS 166 N -0.53 4.43 0.71 4.02 2.20 -1.26 -1.25 119.74 128.06 3ghe s LYS 166 Ca -0.06 2.00 -0.01 0.00 -0.36 0.00 0.00 55.97 57.54 3ghe s LYS 166 Cb -0.04 -3.20 0.11 0.00 -1.51 0.00 0.00 37.83 33.20 3ghe s LYS 166 CO 0.02 -0.18 0.98 -0.65 -0.36 0.00 0.00 175.35 175.16 3ghe s GLN 167 N -0.35 1.79 0.13 4.03 -0.21 0.73 -4.90 119.66 120.87 3ghe s GLN 167 Ca 0.54 -1.00 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 3ghe s GLN 167 Cb -0.35 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 3ghe s GLN 167 CO 0.39 -1.37 1.59 0.77 -2.12 0.00 0.00 175.29 174.55 3ghe h SER 168 N -0.49 0.68 0.00 5.90 0.02 -1.97 -2.21 113.55 115.48 3ghe h SER 168 Ca -0.38 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 3ghe h SER 168 Cb 1.27 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3ghe h SER 168 CO 0.43 0.80 0.00 -0.46 -1.14 0.00 0.00 176.83 176.46 3ghe n ASN 169 N -4.47 0.00 -0.30 3.07 0.23 -1.26 -4.84 115.26 107.69 3ghe n ASN 169 Ca -0.01 -0.62 -0.04 0.00 -0.53 0.00 0.00 54.58 53.39 3ghe n ASN 169 Cb 0.27 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.95 3ghe n ASN 169 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ghe n ASN 170 N -0.95 -3.48 -3.12 0.53 3.02 -0.83 -5.05 115.26 105.38 3ghe n ASN 170 Ca 0.12 0.10 -0.09 0.00 -0.03 0.00 0.00 54.58 54.68 3ghe n ASN 170 Cb 0.06 -1.32 0.01 0.00 -0.61 0.00 0.00 39.78 37.91 3ghe n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ghe n LYS 171 N -2.88 1.02 -4.41 3.52 5.02 -1.26 -4.80 118.16 114.37 3ghe n LYS 171 Ca -0.04 -1.28 -0.24 0.00 -2.02 0.00 0.00 58.31 54.73 3ghe n LYS 171 Cb 0.13 0.03 -0.09 0.00 -0.02 0.00 0.00 35.03 35.08 3ghe n LYS 171 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ghe s TYR 172 N -0.76 2.45 0.12 2.13 1.51 0.13 -0.19 117.35 122.75 3ghe s TYR 172 Ca 0.17 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 3ghe s TYR 172 Cb -0.01 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 3ghe s TYR 172 CO 0.11 0.62 -0.08 0.00 -1.11 0.00 0.00 175.55 175.09 3ghe s ALA 173 N -2.49 1.20 0.03 3.71 0.00 -0.38 -1.54 121.76 122.29 3ghe s ALA 173 Ca 0.32 -1.42 -0.28 0.00 0.00 0.00 0.00 51.96 50.58 3ghe s ALA 173 Cb -0.03 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.29 3ghe s ALA 173 CO 0.17 -0.17 0.93 0.00 0.00 0.00 0.00 175.76 176.69 3ghe s ALA 174 N -3.49 -1.80 -0.01 0.00 0.00 -0.61 -1.38 121.76 114.48 3ghe s ALA 174 Ca 0.14 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 3ghe s ALA 174 Cb 0.04 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.63 3ghe s ALA 174 CO -0.02 -0.78 0.26 -1.54 0.00 0.00 0.00 175.76 173.67 3ghe s SER 175 N -2.60 -0.12 -0.02 0.00 1.04 -1.26 -1.10 113.70 109.65 3ghe s SER 175 Ca 0.07 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.52 3ghe s SER 175 Cb -0.01 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 3ghe s SER 175 CO -0.06 -0.43 -0.12 -0.55 0.98 0.00 0.00 173.24 173.06 3ghe s SER 176 N -1.37 1.43 -0.08 7.02 0.15 -0.55 -1.53 113.70 118.78 3ghe s SER 176 Ca -0.14 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.34 3ghe s SER 176 Cb -0.06 -0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 63.99 3ghe s SER 176 CO 0.03 0.12 -0.23 -0.31 1.20 0.00 0.00 173.24 174.06 3ghe s TYR 177 N -0.10 2.36 -0.24 3.44 1.51 0.96 -1.07 117.35 124.21 3ghe s TYR 177 Ca 0.01 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.22 3ghe s TYR 177 Cb -0.07 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.24 3ghe s TYR 177 CO 0.00 -0.31 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.87 3ghe s LEU 178 N 0.15 3.05 -0.03 -1.29 2.96 -0.89 -0.77 118.68 121.86 3ghe s LEU 178 Ca -0.12 -0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 52.72 3ghe s LEU 178 Cb -0.16 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3ghe s LEU 178 CO 0.06 -0.11 0.55 -0.44 -1.32 0.00 0.00 176.35 175.09 3ghe s SER 179 N 1.30 6.90 0.30 3.68 0.01 0.42 -1.40 113.70 124.92 3ghe s SER 179 Ca 0.00 1.07 0.04 0.00 1.31 0.00 0.00 55.95 58.38 3ghe s SER 179 Cb -0.16 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3ghe s SER 179 CO -0.06 0.10 0.26 -0.76 0.41 0.00 0.00 173.24 173.19 3ghe s LEU 180 N -0.12 1.54 0.05 2.44 1.43 -0.31 -4.69 118.68 119.01 3ghe s LEU 180 Ca 0.29 -1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 51.75 3ghe s LEU 180 Cb -0.17 0.59 -0.04 0.00 0.03 0.00 0.00 46.19 46.59 3ghe s LEU 180 CO 0.15 -1.02 0.19 0.42 0.23 0.00 0.00 176.35 176.32 3ghe s THR 181 N -3.60 5.27 0.43 5.49 -4.23 -1.26 -2.94 115.64 114.80 3ghe s THR 181 Ca 0.40 -0.40 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 3ghe s THR 181 Cb 0.03 -3.55 0.41 0.00 1.34 0.00 0.00 72.50 70.74 3ghe s THR 181 CO 0.23 0.18 1.82 -0.65 -0.54 0.00 0.00 174.62 175.65 3ghe h PRO 182 N 3.26 0.32 -0.51 3.99 0.11 -1.85 0.13 132.00 137.44 3ghe h PRO 182 Ca -0.46 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3ghe h PRO 182 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ghe h PRO 182 CO 0.73 0.21 -0.18 1.05 -0.21 0.00 0.00 178.00 179.60 3ghe h GLU 183 N 0.33 1.02 -0.11 1.05 9.09 -1.98 -2.02 114.58 121.96 3ghe h GLU 183 Ca 0.53 -0.42 -0.00 0.00 0.05 0.00 0.00 59.36 59.52 3ghe h GLU 183 Cb 1.47 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.52 3ghe h GLU 183 CO -0.20 1.10 0.05 1.96 0.05 0.00 0.00 179.01 181.98 3ghe h GLN 184 N 0.88 0.16 -0.26 1.06 4.20 -1.19 0.17 115.11 120.14 3ghe h GLN 184 Ca 0.12 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.87 3ghe h GLN 184 Cb 0.76 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.44 3ghe h GLN 184 CO 0.06 0.24 -0.25 2.35 -0.67 0.00 0.00 178.83 180.55 3ghe h TRP 185 N 0.04 -0.67 0.00 2.96 -0.00 -1.09 -1.33 115.95 115.86 3ghe h TRP 185 Ca 0.04 0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.94 3ghe h TRP 185 Cb 0.13 0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.62 3ghe h TRP 185 CO -0.03 -0.33 -0.13 0.87 -0.00 0.00 0.00 178.44 178.82 3ghe h LYS 186 N -0.25 0.00 -0.33 2.65 1.57 -1.27 -3.25 116.57 115.69 3ghe h LYS 186 Ca 0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3ghe h LYS 186 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3ghe h LYS 186 CO -0.41 0.13 -0.15 0.77 -0.57 0.00 0.00 179.45 179.22 3ghe h SER 187 N 0.00 0.59 -2.69 0.86 0.02 0.24 -3.46 113.55 109.11 3ghe h SER 187 Ca -0.00 -0.17 -0.48 0.00 -0.84 0.00 0.00 61.79 60.30 3ghe h SER 187 Cb 0.67 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3ghe h SER 187 CO 0.02 0.76 -0.25 -1.00 -1.14 0.00 0.00 176.83 175.21 3ghe s HIS 188 N -4.70 3.49 0.21 3.45 3.76 -1.14 -5.00 115.29 115.35 3ghe s HIS 188 Ca -0.08 0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 55.05 3ghe s HIS 188 Cb 0.14 -1.83 0.17 0.00 1.11 0.00 0.00 32.58 32.17 3ghe s HIS 188 CO 0.80 0.21 1.66 0.00 -0.85 0.00 0.00 174.74 176.56 3ghe h ARG 189 N 0.98 0.91 -1.50 1.40 3.08 -1.89 -3.43 114.38 113.93 3ghe h ARG 189 Ca -0.50 -0.31 0.29 0.00 0.07 0.00 0.00 59.98 59.53 3ghe h ARG 189 Cb 1.22 -0.07 -0.15 0.00 0.08 0.00 0.00 29.97 31.05 3ghe h ARG 189 CO 0.62 0.95 0.80 -1.54 -1.07 0.00 0.00 179.97 179.74 3ghe s SER 190 N -6.66 -0.10 0.22 7.04 1.04 -1.26 -4.41 113.70 109.57 3ghe s SER 190 Ca -0.10 -0.08 0.10 0.00 0.48 0.00 0.00 55.95 56.34 3ghe s SER 190 Cb 0.14 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 3ghe s SER 190 CO 0.84 -0.30 -0.19 -0.31 0.98 0.00 0.00 173.24 174.26 3ghe s TYR 191 N -2.46 2.06 0.01 5.02 1.51 -0.45 0.19 117.35 123.22 3ghe s TYR 191 Ca 0.12 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3ghe s TYR 191 Cb 0.02 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 3ghe s TYR 191 CO -0.04 0.51 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.75 3ghe s SER 192 N -3.12 0.43 -0.20 2.29 0.01 0.10 -1.79 113.70 111.42 3ghe s SER 192 Ca 0.23 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 3ghe s SER 192 Cb -0.05 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.21 3ghe s SER 192 CO 0.10 -0.09 -0.14 0.00 0.41 0.00 0.00 173.24 173.53 3ghe s GLN 194 N 1.33 3.27 -0.20 0.00 0.74 0.14 -1.51 119.66 123.43 3ghe s GLN 194 Ca 0.04 -0.69 -0.05 0.00 0.05 0.00 0.00 55.36 54.70 3ghe s GLN 194 Cb -0.14 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.11 3ghe s GLN 194 CO -0.09 -0.14 0.01 0.08 -0.55 0.00 0.00 175.29 174.61 3ghe s VAL 195 N 1.25 4.07 -0.14 1.34 1.01 -0.35 -0.78 120.40 126.79 3ghe s VAL 195 Ca 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3ghe s VAL 195 Cb -0.14 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3ghe s VAL 195 CO -0.04 0.42 0.05 -0.89 0.00 0.00 0.00 175.10 174.64 3ghe s THR 196 N 0.99 4.70 -0.16 3.92 2.01 -0.25 -1.12 115.64 125.73 3ghe s THR 196 Ca 0.02 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 3ghe s THR 196 Cb -0.14 -3.06 0.08 0.00 0.01 0.00 0.00 72.50 69.38 3ghe s THR 196 CO 0.02 0.53 0.31 -2.28 -0.69 0.00 0.00 174.62 172.51 3ghe s HIS 197 N -0.22 -0.53 -1.43 4.92 2.46 0.79 -2.31 115.29 118.97 3ghe s HIS 197 Ca 0.07 1.06 -0.04 0.00 0.47 0.00 0.00 55.06 56.63 3ghe s HIS 197 Cb -0.12 0.04 0.03 0.00 -0.13 0.00 0.00 32.58 32.39 3ghe s HIS 197 CO 0.02 -0.42 0.62 0.39 -2.47 0.00 0.00 174.74 172.87 3ghe n GLU 198 N 5.36 -4.05 -0.96 2.88 -0.58 -1.26 -1.79 120.64 120.24 3ghe n GLU 198 Ca -0.07 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3ghe n GLU 198 Cb 0.50 -4.91 0.00 0.00 -0.57 0.00 0.00 31.44 26.46 3ghe n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ghe n GLY 199 N -1.76 0.74 3.23 0.62 0.00 -1.26 -5.02 105.19 101.73 3ghe n GLY 199 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 3ghe n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ghe s SER 200 N -2.60 2.04 0.13 1.61 0.01 -0.74 -5.15 113.70 109.00 3ghe s SER 200 Ca 0.00 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 56.65 3ghe s SER 200 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 3ghe s SER 200 CO 0.00 -0.05 -0.20 0.42 0.41 0.00 0.00 173.24 173.82 3ghe s THR 201 N -1.48 1.78 -0.14 1.44 -4.23 -1.26 -0.14 115.64 111.60 3ghe s THR 201 Ca 0.04 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3ghe s THR 201 Cb -0.09 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.10 3ghe s THR 201 CO 0.03 -0.16 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.19 3ghe s VAL 202 N -1.51 1.16 -0.05 2.29 1.01 -0.27 -4.98 120.40 118.05 3ghe s VAL 202 Ca 0.10 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3ghe s VAL 202 Cb -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3ghe s VAL 202 CO 0.05 0.28 -0.23 -0.70 0.00 0.00 0.00 175.10 174.50 3ghe s GLU 203 N 1.63 2.46 0.15 2.72 2.12 -1.26 -1.21 118.70 125.31 3ghe s GLU 203 Ca 0.03 -0.88 0.11 0.00 0.36 0.00 0.00 54.97 54.59 3ghe s GLU 203 Cb -0.14 -2.18 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 3ghe s GLU 203 CO -0.08 0.46 -0.25 0.15 -0.54 0.00 0.00 175.26 174.99 3ghe s LYS 204 N -0.34 1.42 0.04 4.30 -0.14 -0.57 -4.97 119.74 119.47 3ghe s LYS 204 Ca 0.02 -1.40 0.03 0.00 -1.36 0.00 0.00 55.97 53.27 3ghe s LYS 204 Cb -0.12 -1.83 -0.02 0.00 -1.68 0.00 0.00 37.83 34.17 3ghe s LYS 204 CO 0.02 0.42 -0.10 0.99 -0.76 0.00 0.00 175.35 175.92 3ghe s THR 205 N -1.30 0.79 0.06 2.17 2.01 -1.26 -1.47 115.64 116.64 3ghe s THR 205 Ca 0.16 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.19 3ghe s THR 205 Cb -0.09 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 3ghe s THR 205 CO 0.07 -0.17 -0.06 0.68 -0.69 0.00 0.00 174.62 174.45 3ghe s VAL 206 N -1.03 0.46 0.02 3.82 -7.23 -0.74 -4.99 120.40 110.70 3ghe s VAL 206 Ca -0.04 -1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 3ghe s VAL 206 Cb -0.08 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 3ghe s VAL 206 CO 0.01 -0.64 0.02 0.00 -0.31 0.00 0.00 175.10 174.18 3ghe s ALA 207 N -2.43 0.01 0.02 1.32 0.00 -1.26 -1.35 121.76 118.08 3ghe s ALA 207 Ca -0.02 -0.49 -0.33 0.00 0.00 0.00 0.00 51.96 51.12 3ghe s ALA 207 Cb -0.03 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 3ghe s ALA 207 CO -0.03 -0.18 1.84 -2.30 0.00 0.00 0.00 175.76 175.09 3ghe n PRO 208 N 1.49 2.44 0.00 0.00 -0.02 -1.26 -5.07 135.00 132.59 3ghe n PRO 208 Ca -0.23 0.89 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 3ghe n PRO 208 Cb 0.55 -2.76 0.65 0.00 -0.02 0.00 0.00 33.50 31.92 3ghe n PRO 208 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73