#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swg s ARG 53 N 0.00 2.93 0.00 4.33 0.52 -1.26 -4.62 118.95 120.85 1swg s ARG 53 Ca 0.00 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1swg s ARG 53 Cb 0.00 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1swg s ARG 53 CO 0.00 0.49 -0.15 0.71 0.02 0.00 0.00 175.30 176.37 1swg s TYR 54 N -1.73 1.34 0.37 -0.53 1.51 -0.23 -4.82 117.35 113.26 1swg s TYR 54 Ca 0.31 -0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 55.82 1swg s TYR 54 Cb -0.10 -0.85 -0.10 0.00 -0.11 0.00 0.00 41.96 40.80 1swg s TYR 54 CO 0.24 -0.01 1.30 0.08 -1.11 0.00 0.00 175.55 176.05 1swg s VAL 55 N -0.46 2.68 0.10 0.71 1.01 -1.26 -0.32 120.40 122.86 1swg s VAL 55 Ca 0.05 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1swg s VAL 55 Cb -0.06 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1swg s VAL 55 CO -0.00 0.12 -0.19 -1.48 0.00 0.00 0.00 175.10 173.55 1swg s LEU 56 N -2.12 2.31 0.00 3.92 0.05 -0.27 -4.29 118.68 118.29 1swg s LEU 56 Ca 0.53 -0.69 -0.06 0.00 0.05 0.00 0.00 54.13 53.95 1swg s LEU 56 Cb -0.39 -0.80 -0.00 0.00 -2.05 0.00 0.00 46.19 42.96 1swg s LEU 56 CO 0.51 0.02 0.12 0.28 -0.55 0.00 0.00 176.35 176.72 1swg s THR 57 N -1.29 0.08 0.00 5.48 -1.32 -1.07 -2.50 115.64 115.02 1swg s THR 57 Ca 0.06 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1swg s THR 57 Cb -0.09 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 1swg s THR 57 CO 0.04 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 1swg n GLY 58 N 1.55 1.52 3.11 6.08 0.00 -0.39 -1.27 105.19 115.79 1swg n GLY 58 Ca -0.22 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 1swg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swg s ARG 59 N 0.10 0.64 0.09 1.61 1.81 -0.49 -1.51 118.95 121.21 1swg s ARG 59 Ca 0.00 -1.15 -0.14 0.00 -1.72 0.00 0.00 55.73 52.73 1swg s ARG 59 Cb 0.00 0.23 0.02 0.00 -0.45 0.00 0.00 34.95 34.75 1swg s ARG 59 CO 0.00 -0.14 0.33 1.52 -0.68 0.00 0.00 175.30 176.33 1swg s TYR 60 N -3.81 -0.10 -0.43 -0.53 1.13 -0.43 -0.88 117.35 112.30 1swg s TYR 60 Ca 0.06 -0.19 -0.28 0.00 -1.41 0.00 0.00 57.07 55.25 1swg s TYR 60 Cb 0.07 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.07 1swg s TYR 60 CO -0.10 -0.61 1.52 0.34 -2.51 0.00 0.00 175.55 174.20 1swg s ASP 61 N -2.59 6.14 0.00 -0.18 2.15 0.31 -4.65 116.67 117.84 1swg s ASP 61 Ca 0.01 0.82 0.31 0.00 0.43 0.00 0.00 52.55 54.11 1swg s ASP 61 Cb 0.02 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.73 1swg s ASP 61 CO -0.09 -1.60 2.10 -1.54 -0.17 0.00 0.00 175.17 173.87 1swg n SER 62 N 9.50 0.05 -3.19 -0.34 3.41 -1.26 -4.02 113.62 117.77 1swg n SER 62 Ca 0.17 -0.47 -0.23 0.00 -0.26 0.00 0.00 58.87 58.08 1swg n SER 62 Cb 0.48 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1swg n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swg n ALA 63 N -1.15 2.40 -1.25 7.33 0.00 -1.26 -5.05 120.51 121.53 1swg n ALA 63 Ca 0.18 -3.42 -0.30 0.00 0.00 0.00 0.00 53.44 49.89 1swg n ALA 63 Cb 0.20 -0.83 0.11 0.00 0.00 0.00 0.00 19.45 18.93 1swg n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swg s PRO 64 N -1.37 1.87 0.80 0.00 0.04 -1.26 -4.97 135.00 130.11 1swg s PRO 64 Ca 0.36 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1swg s PRO 64 Cb 0.19 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.90 1swg s PRO 64 CO -0.10 -1.87 0.83 0.00 0.04 0.00 0.00 177.00 175.89 1swg n ALA 65 N -3.66 -0.96 -0.97 8.56 0.00 -1.26 -4.91 120.51 117.30 1swg n ALA 65 Ca 0.08 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.27 1swg n ALA 65 Cb 0.54 -2.03 0.24 0.00 0.00 0.00 0.00 19.45 18.20 1swg n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swg n THR 66 N -3.00 2.20 0.75 0.00 -2.24 -1.26 -4.60 114.28 106.12 1swg n THR 66 Ca 0.11 -1.88 0.11 0.00 -2.27 0.00 0.00 64.05 60.12 1swg n THR 66 Cb 0.51 -0.22 0.28 0.00 -2.10 0.00 0.00 70.33 68.80 1swg n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swg n ASP 67 N -0.56 2.61 0.00 3.42 5.75 -1.26 -4.90 116.55 121.60 1swg n ASP 67 Ca 0.20 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1swg n ASP 67 Cb 0.85 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1swg n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swg n GLY 68 N 1.32 0.39 3.76 6.12 0.00 -1.26 -5.08 105.19 110.45 1swg n GLY 68 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1swg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 69 N -2.11 5.47 0.98 1.61 0.01 -1.26 -5.04 113.70 113.36 1swg s SER 69 Ca 0.00 2.27 -0.16 0.00 1.31 0.00 0.00 55.95 59.36 1swg s SER 69 Cb 0.00 -2.59 0.21 0.00 0.21 0.00 0.00 66.02 63.85 1swg s SER 69 CO 0.00 -1.40 1.32 -0.83 0.41 0.00 0.00 173.24 172.74 1swg s GLY 70 N -1.71 1.78 -0.34 3.44 0.00 -1.26 -4.80 107.32 104.43 1swg s GLY 70 Ca 0.75 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 1swg s GLY 70 CO 0.30 -0.42 0.25 -1.59 0.00 0.00 0.00 173.10 171.63 1swg s THR 71 N -3.85 5.28 0.35 0.90 2.01 0.10 -4.74 115.64 115.69 1swg s THR 71 Ca 0.74 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 1swg s THR 71 Cb -0.04 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1swg s THR 71 CO 0.53 -0.02 1.32 0.00 -0.69 0.00 0.00 174.62 175.77 1swg s ALA 72 N 1.73 3.46 0.19 7.40 0.00 -1.26 -0.53 121.76 132.74 1swg s ALA 72 Ca 0.06 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 1swg s ALA 72 Cb -0.17 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1swg s ALA 72 CO 0.11 -0.71 0.51 -0.48 0.00 0.00 0.00 175.76 175.18 1swg s LEU 73 N -1.95 0.10 0.03 0.00 0.05 -0.33 -0.53 118.68 116.05 1swg s LEU 73 Ca 0.51 -0.47 -0.23 0.00 0.05 0.00 0.00 54.13 53.99 1swg s LEU 73 Cb -0.40 2.12 0.05 0.00 -2.05 0.00 0.00 46.19 45.91 1swg s LEU 73 CO 0.53 -1.04 0.53 -0.83 -0.55 0.00 0.00 176.35 174.99 1swg s GLY 74 N -2.87 -0.43 0.15 -3.48 0.00 -0.06 -1.49 107.32 99.15 1swg s GLY 74 Ca 0.09 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.34 1swg s GLY 74 CO -0.04 0.39 0.44 0.66 0.00 0.00 0.00 173.10 174.55 1swg s TRP 75 N -2.16 -0.13 -0.02 1.90 -2.14 -0.37 -1.40 118.94 114.62 1swg s TRP 75 Ca -0.07 -0.20 0.05 0.00 2.66 0.00 0.00 56.10 58.55 1swg s TRP 75 Cb -0.01 0.28 -0.01 0.00 -3.10 0.00 0.00 33.47 30.63 1swg s TRP 75 CO 0.01 -0.78 -0.19 0.99 -2.66 0.00 0.00 176.95 174.32 1swg s THR 76 N -3.84 1.49 -0.17 0.66 2.01 -0.40 -0.56 115.64 114.84 1swg s THR 76 Ca 0.06 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1swg s THR 76 Cb 0.01 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1swg s THR 76 CO -0.08 0.42 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 1swg s VAL 77 N -0.32 1.88 -0.22 3.82 1.01 -0.04 -2.60 120.40 123.93 1swg s VAL 77 Ca 0.04 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 1swg s VAL 77 Cb -0.08 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1swg s VAL 77 CO 0.00 0.51 0.49 0.00 0.00 0.00 0.00 175.10 176.10 1swg s ALA 78 N 1.33 3.56 -0.79 5.51 0.00 -1.26 -0.34 121.76 129.76 1swg s ALA 78 Ca 0.04 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1swg s ALA 78 Cb -0.13 -2.79 -0.16 0.00 0.00 0.00 0.00 23.12 20.03 1swg s ALA 78 CO -0.11 -0.51 3.26 0.91 0.00 0.00 0.00 175.76 179.30 1swg n TRP 79 N 4.96 1.24 -4.56 0.00 7.02 0.15 -4.75 117.44 121.50 1swg n TRP 79 Ca -0.05 -2.28 -0.22 0.00 -1.02 0.00 0.00 57.50 53.92 1swg n TRP 79 Cb 0.50 -2.00 -0.16 0.00 -2.42 0.00 0.00 31.31 27.24 1swg n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swg s LYS 80 N 1.33 1.26 0.00 -0.99 2.20 -1.26 -1.38 119.74 120.90 1swg s LYS 80 Ca 0.68 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1swg s LYS 80 Cb 0.26 -1.14 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 1swg s LYS 80 CO -0.04 0.17 0.00 0.27 -0.36 0.00 0.00 175.35 175.39 1swg n ASN 81 N 3.22 0.41 -0.06 1.43 0.23 -0.09 -4.76 115.26 115.64 1swg n ASN 81 Ca -0.18 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.01 1swg n ASN 81 Cb 0.54 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.90 1swg n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swg n ASN 82 N 0.00 0.26 -0.00 0.53 3.02 -1.26 -3.85 115.26 113.96 1swg n ASN 82 Ca 0.00 -0.36 0.01 0.00 -0.03 0.00 0.00 54.58 54.20 1swg n ASN 82 Cb 0.00 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1swg n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swg n TYR 83 N -1.12 0.00 -3.67 3.10 4.02 -1.26 -5.08 117.16 113.14 1swg n TYR 83 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.88 1swg n TYR 83 Cb 0.27 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.46 1swg n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1swg s ARG 84 N -2.02 0.83 -0.20 -0.72 3.52 -1.25 -5.14 118.95 113.97 1swg s ARG 84 Ca -0.01 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1swg s ARG 84 Cb 0.02 0.38 0.09 0.00 -1.56 0.00 0.00 34.95 33.88 1swg s ARG 84 CO 0.12 -0.25 0.21 1.21 -0.81 0.00 0.00 175.30 175.78 1swg s ASN 85 N -1.41 1.41 0.00 -2.12 3.84 -1.26 -0.91 114.94 114.48 1swg s ASN 85 Ca -0.11 -0.22 0.27 0.00 0.21 0.00 0.00 52.86 53.00 1swg s ASN 85 Cb -0.03 0.35 1.15 0.00 -0.55 0.00 0.00 41.25 42.17 1swg s ASN 85 CO 0.05 -0.33 1.79 0.00 -2.79 0.00 0.00 177.10 175.82 1swg n ALA 86 N 5.32 2.59 -3.81 1.71 0.00 -0.48 -4.94 120.51 120.90 1swg n ALA 86 Ca -0.06 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 1swg n ALA 86 Cb 0.49 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.74 1swg n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swg n HIS 87 N -0.06 -1.78 -3.72 0.00 8.25 -1.26 -4.84 115.22 111.82 1swg n HIS 87 Ca 0.19 0.57 -0.10 0.00 -0.26 0.00 0.00 57.72 58.12 1swg n HIS 87 Cb 0.29 -3.58 -0.04 0.00 1.12 0.00 0.00 29.99 27.78 1swg n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swg s SER 88 N -3.88 -0.24 -0.01 0.41 1.04 -1.26 -0.59 113.70 109.17 1swg s SER 88 Ca 0.26 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 1swg s SER 88 Cb -0.10 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1swg s SER 88 CO 0.87 -0.99 0.03 0.00 0.98 0.00 0.00 173.24 174.13 1swg s ALA 89 N -3.86 -0.03 -0.08 5.32 0.00 -0.74 0.33 121.76 122.71 1swg s ALA 89 Ca 0.08 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1swg s ALA 89 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1swg s ALA 89 CO -0.05 -0.04 -0.17 0.99 0.00 0.00 0.00 175.76 176.49 1swg s THR 90 N 0.30 2.76 -0.09 0.00 2.01 0.53 -1.04 115.64 120.10 1swg s THR 90 Ca -0.02 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1swg s THR 90 Cb -0.03 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1swg s THR 90 CO -0.01 0.56 -0.16 0.42 -0.69 0.00 0.00 174.62 174.75 1swg s THR 91 N -0.21 2.86 -0.16 -0.82 -4.23 -0.38 -0.86 115.64 111.83 1swg s THR 91 Ca -0.00 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 1swg s THR 91 Cb -0.13 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1swg s THR 91 CO 0.03 0.55 -0.04 0.26 -0.54 0.00 0.00 174.62 174.89 1swg s TRP 92 N -0.07 3.01 -0.10 3.99 0.51 0.27 -1.31 118.94 125.24 1swg s TRP 92 Ca -0.03 -0.37 0.03 0.00 -2.12 0.00 0.00 56.10 53.61 1swg s TRP 92 Cb -0.14 -1.97 0.00 0.00 -0.81 0.00 0.00 33.47 30.55 1swg s TRP 92 CO 0.04 -0.09 -0.21 0.45 -0.51 0.00 0.00 176.95 176.63 1swg s SER 93 N 0.49 2.75 0.00 2.95 0.15 0.19 -1.24 113.70 118.99 1swg s SER 93 Ca -0.04 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1swg s SER 93 Cb -0.14 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1swg s SER 93 CO 0.03 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1swg n GLY 94 N 3.66 -0.76 3.22 9.45 0.00 -0.56 -1.41 105.19 118.79 1swg n GLY 94 Ca -0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1swg n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swg s GLN 95 N -0.00 0.58 -0.07 1.61 -2.07 -0.88 -1.18 119.66 117.65 1swg s GLN 95 Ca 0.00 -0.07 -0.22 0.00 -1.82 0.00 0.00 55.36 53.25 1swg s GLN 95 Cb 0.00 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1swg s GLN 95 CO 0.00 -0.14 0.63 -0.47 -1.32 0.00 0.00 175.29 173.99 1swg s TYR 96 N -0.99 3.58 -0.27 9.60 5.04 0.31 -1.92 117.35 132.69 1swg s TYR 96 Ca -0.11 1.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1swg s TYR 96 Cb -0.05 -2.71 0.06 0.00 0.35 0.00 0.00 41.96 39.61 1swg s TYR 96 CO 0.03 0.16 -0.07 0.08 -1.34 0.00 0.00 175.55 174.41 1swg s VAL 97 N 0.57 2.48 1.11 3.14 1.01 0.62 0.00 120.40 129.34 1swg s VAL 97 Ca 0.34 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 1swg s VAL 97 Cb -0.17 -2.45 0.26 0.00 0.00 0.00 0.00 36.38 34.02 1swg s VAL 97 CO 0.16 -0.06 1.23 -0.83 0.00 0.00 0.00 175.10 175.60 1swg s GLY 98 N 1.16 1.70 0.00 4.51 0.00 -1.26 -1.61 107.32 111.82 1swg s GLY 98 Ca -0.08 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1swg s GLY 98 CO -0.04 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.38 1swg n GLY 99 N -2.38 0.43 0.00 0.20 0.00 -1.26 -4.71 105.19 97.47 1swg n GLY 99 Ca 0.15 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1swg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg n ALA 100 N -1.00 -0.15 -3.14 4.61 0.00 -1.26 -3.43 120.51 116.14 1swg n ALA 100 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1swg n ALA 100 Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 1swg n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swg s GLU 101 N -2.72 3.31 0.55 0.00 -6.30 -1.26 -5.04 118.70 107.25 1swg s GLU 101 Ca 0.00 -1.74 -0.19 0.00 -2.50 0.00 0.00 54.97 50.54 1swg s GLU 101 Cb 0.00 -4.45 -0.05 0.00 0.00 0.00 0.00 34.13 29.62 1swg s GLU 101 CO 0.00 -1.52 1.10 0.00 0.02 0.00 0.00 175.26 174.86 1swg s ALA 102 N 1.96 2.71 0.05 6.30 0.00 -1.22 -4.90 121.76 126.67 1swg s ALA 102 Ca 0.17 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 1swg s ALA 102 Cb -0.17 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1swg s ALA 102 CO -0.01 -0.74 0.15 1.03 0.00 0.00 0.00 175.76 176.19 1swg s ARG 103 N -3.44 0.71 -0.22 0.00 0.52 -0.63 -4.22 118.95 111.66 1swg s ARG 103 Ca 0.70 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1swg s ARG 103 Cb -0.21 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.59 1swg s ARG 103 CO 0.28 -0.20 -0.09 0.42 0.02 0.00 0.00 175.30 175.73 1swg s ILE 104 N -3.06 1.75 -0.26 1.52 1.01 -0.36 -0.28 121.20 121.51 1swg s ILE 104 Ca -0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.32 1swg s ILE 104 Cb 0.01 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1swg s ILE 104 CO -0.07 0.06 0.16 0.20 0.00 0.00 0.00 174.94 175.29 1swg s ASN 105 N 1.32 5.88 0.17 3.58 0.01 -0.81 -0.68 114.94 124.42 1swg s ASN 105 Ca -0.04 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1swg s ASN 105 Cb -0.18 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1swg s ASN 105 CO -0.07 -0.02 -0.09 0.42 -1.51 0.00 0.00 177.10 175.83 1swg s THR 106 N 1.55 1.25 0.07 1.60 -4.23 0.63 -2.08 115.64 114.43 1swg s THR 106 Ca 0.07 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 1swg s THR 106 Cb -0.15 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1swg s THR 106 CO 0.08 -0.64 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.17 1swg s GLN 107 N -3.75 1.60 0.06 3.99 -0.21 -0.50 -2.08 119.66 118.77 1swg s GLN 107 Ca 0.20 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.41 1swg s GLN 107 Cb 0.03 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 1swg s GLN 107 CO 0.03 0.47 -0.04 1.67 -2.12 0.00 0.00 175.29 175.30 1swg s TRP 108 N -0.90 0.62 -0.11 0.91 1.48 0.28 -0.64 118.94 120.58 1swg s TRP 108 Ca 0.12 -0.96 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 1swg s TRP 108 Cb -0.10 -0.41 0.02 0.00 -1.16 0.00 0.00 33.47 31.82 1swg s TRP 108 CO 0.03 -0.29 -0.10 -0.51 -4.06 0.00 0.00 176.95 172.03 1swg s LEU 109 N -2.79 1.39 -0.30 -4.66 1.43 -0.43 -1.82 118.68 111.50 1swg s LEU 109 Ca 0.06 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1swg s LEU 109 Cb 0.05 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.38 1swg s LEU 109 CO -0.07 -0.07 0.02 -0.22 0.23 0.00 0.00 176.35 176.23 1swg s LEU 110 N 1.45 3.83 -0.21 1.79 2.96 0.30 -1.25 118.68 127.56 1swg s LEU 110 Ca 0.01 -1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 52.77 1swg s LEU 110 Cb -0.13 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1swg s LEU 110 CO -0.06 -0.24 0.06 -0.89 -1.32 0.00 0.00 176.35 173.90 1swg s THR 111 N 1.33 4.55 -0.05 3.68 2.01 -0.21 -0.33 115.64 126.62 1swg s THR 111 Ca -0.02 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 1swg s THR 111 Cb -0.19 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1swg s THR 111 CO -0.00 0.41 0.18 -0.44 -0.69 0.00 0.00 174.62 174.07 1swg s SER 112 N 0.88 6.39 0.25 3.53 0.01 0.15 -1.79 113.70 123.12 1swg s SER 112 Ca 0.03 0.42 -0.30 0.00 1.31 0.00 0.00 55.95 57.42 1swg s SER 112 Cb -0.14 -2.04 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1swg s SER 112 CO 0.02 0.32 1.26 -0.83 0.41 0.00 0.00 173.24 174.42 1swg s GLY 113 N -1.54 2.73 0.05 3.44 0.00 0.25 -4.81 107.32 107.43 1swg s GLY 113 Ca 0.22 1.09 -0.09 0.00 0.00 0.00 0.00 44.72 45.95 1swg s GLY 113 CO 0.13 1.90 0.18 -0.51 0.00 0.00 0.00 173.10 174.80 1swg s THR 114 N -0.46 0.12 0.91 0.90 -4.23 -1.26 -4.98 115.64 106.65 1swg s THR 114 Ca 0.52 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 1swg s THR 114 Cb -0.36 -1.03 0.14 0.00 1.34 0.00 0.00 72.50 72.59 1swg s THR 114 CO 0.42 -0.55 1.12 0.42 -0.54 0.00 0.00 174.62 175.49 1swg s THR 115 N -2.93 2.20 0.27 3.99 -4.23 -1.26 -4.83 115.64 108.85 1swg s THR 115 Ca -0.02 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1swg s THR 115 Cb 0.01 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 71.31 1swg s THR 115 CO -0.06 -0.09 1.89 -0.33 -0.54 0.00 0.00 174.62 175.50 1swg h GLU 116 N -1.52 1.09 0.00 3.99 3.07 -2.02 -1.41 114.58 117.78 1swg h GLU 116 Ca -0.51 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.16 1swg h GLU 116 Cb 1.32 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1swg h GLU 116 CO 0.60 0.80 -0.30 0.00 -1.40 0.00 0.00 179.01 178.72 1swg h ALA 117 N 1.37 1.28 -0.02 3.43 0.00 -2.07 -2.49 119.26 120.76 1swg h ALA 117 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1swg h ALA 117 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1swg h ALA 117 CO -0.04 0.37 -0.25 0.09 0.00 0.00 0.00 179.25 179.42 1swg n ASN 118 N -3.85 2.04 0.09 0.00 3.02 -0.78 -4.46 115.26 111.32 1swg n ASN 118 Ca -0.01 -1.53 0.18 0.00 -0.03 0.00 0.00 54.58 53.18 1swg n ASN 118 Cb 0.38 0.23 0.73 0.00 -0.61 0.00 0.00 39.78 40.50 1swg n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swg h ALA 119 N 4.13 2.22 0.00 5.41 0.00 -0.80 -0.63 119.26 129.59 1swg h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1swg h ALA 119 Cb 0.74 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1swg h ALA 119 CO 0.00 -0.48 -0.08 0.11 0.00 0.00 0.00 179.25 178.80 1swg h TRP 120 N 0.00 0.00 -0.38 0.00 5.08 -1.79 -2.55 115.95 116.30 1swg h TRP 120 Ca 0.17 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.97 1swg h TRP 120 Cb 0.76 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.82 1swg h TRP 120 CO 0.00 0.08 -0.01 0.36 -1.28 0.00 0.00 178.44 177.59 1swg n LYS 121 N -4.27 2.05 0.13 0.12 2.85 -0.25 -4.70 118.16 114.09 1swg n LYS 121 Ca -0.03 -3.12 0.13 0.00 -1.05 0.00 0.00 58.31 54.25 1swg n LYS 121 Cb 0.16 -1.85 0.43 0.00 -0.65 0.00 0.00 35.03 33.12 1swg n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swg h SER 122 N 1.13 0.00 -3.28 -5.58 4.64 -1.47 -3.45 113.55 105.54 1swg h SER 122 Ca 0.21 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.99 1swg h SER 122 Cb 1.71 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.43 1swg h SER 122 CO 0.41 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.69 1swg s THR 123 N -3.20 1.08 0.29 2.95 2.01 -1.26 0.35 115.64 117.86 1swg s THR 123 Ca 0.08 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 1swg s THR 123 Cb 0.11 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 1swg s THR 123 CO 0.54 0.20 0.66 -0.76 -0.69 0.00 0.00 174.62 174.57 1swg s LEU 124 N 1.66 4.09 -0.02 4.42 1.43 0.56 -4.89 118.68 125.91 1swg s LEU 124 Ca 0.02 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.28 1swg s LEU 124 Cb -0.14 -3.92 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 1swg s LEU 124 CO -0.08 -0.17 -0.14 0.54 0.23 0.00 0.00 176.35 176.73 1swg s VAL 125 N -1.95 1.17 0.14 -1.59 0.11 -1.26 -0.54 120.40 116.49 1swg s VAL 125 Ca 0.51 -0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 1swg s VAL 125 Cb -0.11 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1swg s VAL 125 CO 0.20 0.34 0.28 0.61 -3.33 0.00 0.00 175.10 173.19 1swg n GLY 126 N 2.92 1.73 2.86 6.54 0.00 -0.76 -4.99 105.19 113.49 1swg n GLY 126 Ca -0.16 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1swg n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swg s HIS 127 N -6.32 -0.06 -0.04 1.61 -3.43 -1.26 -0.55 115.29 105.24 1swg s HIS 127 Ca 0.06 0.25 0.06 0.00 -0.80 0.00 0.00 55.06 54.63 1swg s HIS 127 Cb -0.02 -0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 31.00 1swg s HIS 127 CO 0.05 -0.10 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.95 1swg s ASP 128 N 0.81 2.76 -0.16 7.38 1.01 -0.88 -4.98 116.67 122.62 1swg s ASP 128 Ca -0.07 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1swg s ASP 128 Cb -0.09 -0.58 0.00 0.00 1.01 0.00 0.00 42.92 43.26 1swg s ASP 128 CO -0.03 0.24 -0.16 -0.89 0.21 0.00 0.00 175.17 174.54 1swg s THR 129 N -0.28 2.57 -0.06 -1.27 2.01 -1.26 -0.27 115.64 117.08 1swg s THR 129 Ca 0.01 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1swg s THR 129 Cb -0.11 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1swg s THR 129 CO 0.02 0.52 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.06 1swg s PHE 130 N 0.86 3.00 0.13 4.92 0.40 0.14 -2.91 117.98 124.52 1swg s PHE 130 Ca -0.05 0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.44 1swg s PHE 130 Cb -0.15 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1swg s PHE 130 CO -0.01 0.38 -0.20 0.95 0.70 0.00 0.00 175.22 177.04 1swg s THR 131 N -0.86 1.77 0.00 0.64 -4.23 -0.67 -1.23 115.64 111.07 1swg s THR 131 Ca 0.13 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1swg s THR 131 Cb -0.11 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1swg s THR 131 CO 0.02 -0.17 0.00 1.17 -0.54 0.00 0.00 174.62 175.10 1swg n LYS 132 N 0.73 0.00 0.00 3.99 4.81 -1.26 -1.28 118.16 125.15 1swg n LYS 132 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1swg n LYS 132 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1swg n LYS 132 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1swg n GLY 16 N 4.80 0.00 0.21 3.14 0.00 -1.26 -4.88 105.19 107.20 1swg n GLY 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1swg n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1swg h ILE 17 N 0.00 1.30 -2.13 -0.61 2.04 -1.97 -3.44 117.51 112.70 1swg h ILE 17 Ca 0.00 -1.43 -0.61 0.00 1.00 0.00 0.00 64.86 63.82 1swg h ILE 17 Cb 0.00 1.55 0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1swg h ILE 17 CO 0.00 0.46 0.70 0.41 0.00 0.00 0.00 178.15 179.72 1swg n THR 18 N -4.27 0.03 -2.22 -0.27 -1.04 -1.26 -4.81 114.28 100.44 1swg n THR 18 Ca -0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1swg n THR 18 Cb 0.46 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1swg n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swg n GLY 19 N 3.14 -0.29 3.40 3.41 0.00 0.02 -5.00 105.19 109.87 1swg n GLY 19 Ca 0.17 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 1swg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swg s THR 20 N -2.59 3.69 0.20 2.61 2.01 -1.26 -1.39 115.64 118.92 1swg s THR 20 Ca 0.00 -0.40 0.10 0.00 0.31 0.00 0.00 61.69 61.70 1swg s THR 20 Cb 0.00 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1swg s THR 20 CO 0.00 0.43 -0.19 0.26 -0.69 0.00 0.00 174.62 174.43 1swg s TRP 21 N 1.11 2.01 0.04 4.92 0.52 0.13 -4.48 118.94 123.20 1swg s TRP 21 Ca 0.02 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.74 1swg s TRP 21 Cb -0.15 -0.95 -0.02 0.00 -1.15 0.00 0.00 33.47 31.20 1swg s TRP 21 CO 0.01 0.46 -0.11 1.52 0.02 0.00 0.00 176.95 178.85 1swg s TYR 22 N -2.25 0.93 0.20 -1.98 1.13 -0.40 0.42 117.35 115.42 1swg s TYR 22 Ca 0.21 -0.41 0.03 0.00 -1.41 0.00 0.00 57.07 55.49 1swg s TYR 22 Cb -0.05 -0.55 0.03 0.00 -1.10 0.00 0.00 41.96 40.29 1swg s TYR 22 CO 0.09 -0.01 0.25 0.27 -2.51 0.00 0.00 175.55 173.64 1swg n ASN 23 N 1.66 0.99 0.03 -0.18 0.23 -0.42 -1.66 115.26 115.91 1swg n ASN 23 Ca -0.20 -1.59 0.07 0.00 -0.53 0.00 0.00 54.58 52.33 1swg n ASN 23 Cb 0.55 -0.12 0.30 0.00 -2.08 0.00 0.00 39.78 38.43 1swg n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swg n GLN 24 N -1.32 0.04 0.04 -3.83 0.00 -1.15 -1.18 117.38 109.98 1swg n GLN 24 Ca 0.04 0.35 0.12 0.00 0.00 0.00 0.00 57.00 57.51 1swg n GLN 24 Cb 0.22 -1.59 0.10 0.00 0.00 0.00 0.00 30.24 28.96 1swg n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swg n LEU 25 N -1.68 0.64 0.00 2.61 4.77 -1.26 -4.94 117.00 117.13 1swg n LEU 25 Ca 0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1swg n LEU 25 Cb 0.14 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1swg n LEU 25 CO 0.12 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1swg n GLY 26 N 1.37 0.82 3.79 -0.72 0.00 -0.33 -4.75 105.19 105.37 1swg n GLY 26 Ca 0.03 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1swg n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 27 N -2.01 6.08 -0.18 1.61 0.01 -1.26 -4.46 113.70 113.48 1swg s SER 27 Ca 0.00 2.01 -0.04 0.00 1.31 0.00 0.00 55.95 59.23 1swg s SER 27 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1swg s SER 27 CO 0.00 -0.97 -0.03 -0.89 0.41 0.00 0.00 173.24 171.76 1swg s THR 28 N -1.94 3.78 -0.25 1.44 2.01 -0.02 -1.30 115.64 119.36 1swg s THR 28 Ca 0.69 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1swg s THR 28 Cb -0.19 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.68 1swg s THR 28 CO 0.24 0.46 -0.10 0.12 -0.69 0.00 0.00 174.62 174.65 1swg s PHE 29 N 0.79 3.11 -0.26 4.92 5.36 0.17 -1.07 117.98 131.00 1swg s PHE 29 Ca -0.01 -1.88 -0.06 0.00 -0.96 0.00 0.00 56.93 54.02 1swg s PHE 29 Cb -0.14 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1swg s PHE 29 CO 0.02 -0.81 0.04 0.42 -1.46 0.00 0.00 175.22 173.43 1swg s ILE 30 N 1.23 3.86 0.05 3.12 1.01 0.34 0.20 121.20 131.00 1swg s ILE 30 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1swg s ILE 30 Cb -0.18 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1swg s ILE 30 CO -0.06 0.25 -0.11 -0.69 0.00 0.00 0.00 174.94 174.33 1swg s VAL 31 N 1.52 0.87 -0.13 2.92 1.01 -0.49 -1.33 120.40 124.78 1swg s VAL 31 Ca 0.04 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1swg s VAL 31 Cb -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1swg s VAL 31 CO 0.01 -0.20 -0.20 -0.89 0.00 0.00 0.00 175.10 173.82 1swg s THR 32 N -1.12 1.91 -0.36 3.92 2.01 0.11 -0.80 115.64 121.30 1swg s THR 32 Ca -0.03 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 1swg s THR 32 Cb -0.09 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 1swg s THR 32 CO 0.01 0.52 0.29 0.00 -0.69 0.00 0.00 174.62 174.75 1swg s ALA 33 N 0.83 3.49 0.56 7.40 0.00 -1.26 -1.38 121.76 131.40 1swg s ALA 33 Ca -0.08 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 1swg s ALA 33 Cb -0.15 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 1swg s ALA 33 CO -0.01 -1.16 0.99 0.20 0.00 0.00 0.00 175.76 175.78 1swg s GLY 34 N 1.72 1.87 0.55 0.00 0.00 0.13 -4.87 107.32 106.73 1swg s GLY 34 Ca 0.07 0.04 0.34 0.00 0.00 0.00 0.00 44.72 45.17 1swg s GLY 34 CO 0.11 0.31 2.03 0.00 0.00 0.00 0.00 173.10 175.54 1swg h ALA 35 N 0.38 1.02 -0.13 3.20 0.00 -1.98 -1.96 119.26 119.79 1swg h ALA 35 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1swg h ALA 35 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1swg h ALA 35 CO 0.62 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1swg n ASP 36 N -3.15 0.83 0.00 0.00 5.75 -1.26 -4.87 116.55 113.86 1swg n ASP 36 Ca -0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1swg n ASP 36 Cb 0.28 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1swg n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swg n GLY 37 N 0.82 0.70 3.80 6.12 0.00 -0.73 -5.00 105.19 110.90 1swg n GLY 37 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1swg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg s ALA 38 N -2.66 3.08 -0.13 4.61 0.00 -1.25 -1.31 121.76 124.10 1swg s ALA 38 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1swg s ALA 38 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1swg s ALA 38 CO 0.00 0.01 -0.21 -0.51 0.00 0.00 0.00 175.76 175.05 1swg s LEU 39 N -2.75 2.19 0.00 0.00 1.02 -0.57 0.21 118.68 118.79 1swg s LEU 39 Ca 0.58 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 54.14 1swg s LEU 39 Cb -0.16 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.59 1swg s LEU 39 CO 0.20 0.12 0.06 0.42 0.02 0.00 0.00 176.35 177.17 1swg s THR 40 N 0.60 0.08 -4.42 5.49 -4.23 -0.48 -1.26 115.64 111.42 1swg s THR 40 Ca -0.12 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1swg s THR 40 Cb -0.16 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1swg s THR 40 CO 0.03 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1swg n GLY 41 N 1.78 -0.51 3.07 3.99 0.00 -1.04 0.04 105.19 112.52 1swg n GLY 41 Ca -0.21 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1swg n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swg s THR 42 N -3.00 0.49 -0.02 2.61 -4.23 -0.44 -1.11 115.64 109.93 1swg s THR 42 Ca 0.00 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1swg s THR 42 Cb 0.00 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 73.01 1swg s THR 42 CO 0.00 -0.53 -0.19 -0.47 -0.54 0.00 0.00 174.62 172.89 1swg s TYR 43 N -1.97 1.75 -0.11 3.99 6.14 0.56 -0.50 117.35 127.21 1swg s TYR 43 Ca -0.06 -0.37 -0.02 0.00 0.64 0.00 0.00 57.07 57.26 1swg s TYR 43 Cb -0.06 -1.14 0.04 0.00 0.42 0.00 0.00 41.96 41.22 1swg s TYR 43 CO -0.01 -0.06 0.02 -2.00 0.64 0.00 0.00 175.55 174.14 1swg s GLU 44 N -0.35 0.52 0.36 4.97 2.12 -0.24 -1.06 118.70 125.02 1swg s GLU 44 Ca 0.05 -0.02 -0.24 0.00 0.36 0.00 0.00 54.97 55.12 1swg s GLU 44 Cb -0.08 -1.30 -0.10 0.00 0.26 0.00 0.00 34.13 32.91 1swg s GLU 44 CO -0.00 -0.42 0.94 0.45 -0.54 0.00 0.00 175.26 175.69 1swg s SER 45 N 1.97 7.17 0.00 -1.70 0.15 -1.26 -0.84 113.70 119.20 1swg s SER 45 Ca 0.03 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1swg s SER 45 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1swg s SER 45 CO -0.06 -0.18 0.48 0.00 1.20 0.00 0.00 173.24 174.68