#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gds s SER 39 N 0.00 4.38 -0.29 -1.12 0.15 -1.26 -5.12 113.70 110.45 3gds s SER 39 Ca 0.00 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.20 3gds s SER 39 Cb 0.00 -0.81 0.08 0.00 -1.71 0.00 0.00 66.02 63.58 3gds s SER 39 CO 0.00 0.13 -0.00 0.42 1.20 0.00 0.00 173.24 174.99 3gds s THR 40 N -1.50 1.78 -2.44 6.45 -4.23 -1.26 -4.76 115.64 109.69 3gds s THR 40 Ca 0.24 -1.71 0.23 0.00 -1.18 0.00 0.00 61.69 59.27 3gds s THR 40 Cb -0.10 -2.16 0.44 0.00 1.34 0.00 0.00 72.50 72.02 3gds s THR 40 CO 0.15 -0.36 1.43 0.47 -0.54 0.00 0.00 174.62 175.77 3gds n ASP 41 N 4.52 3.26 -4.76 3.99 8.00 -1.26 -5.02 116.55 125.28 3gds n ASP 41 Ca -0.05 -1.96 -0.31 0.00 0.71 0.00 0.00 54.79 53.17 3gds n ASP 41 Cb 0.43 -0.24 0.09 0.00 -0.02 0.00 0.00 41.12 41.38 3gds n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gds s GLU 42 N -1.51 2.18 -0.24 -1.24 2.02 -1.26 -5.03 118.70 113.63 3gds s GLU 42 Ca 0.38 1.23 -0.06 0.00 0.02 0.00 0.00 54.97 56.54 3gds s GLU 42 Cb 0.22 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 3gds s GLU 42 CO 0.31 -1.71 0.02 0.99 0.02 0.00 0.00 175.26 174.90 3gds s THR 43 N -2.82 3.95 0.34 3.63 2.01 -1.26 -5.08 115.64 116.40 3gds s THR 43 Ca 0.62 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3gds s THR 43 Cb -0.18 -2.83 -0.11 0.00 0.01 0.00 0.00 72.50 69.39 3gds s THR 43 CO 0.55 0.38 1.54 -2.84 -0.69 0.00 0.00 174.62 173.55 3gds s PRO 44 N 1.52 4.12 0.09 4.92 0.02 -1.26 -4.93 135.00 139.48 3gds s PRO 44 Ca 0.06 2.57 -0.31 0.00 0.02 0.00 0.00 61.00 63.35 3gds s PRO 44 Cb -0.15 -2.99 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 3gds s PRO 44 CO 0.01 -0.58 1.91 0.00 -0.33 0.00 0.00 177.00 178.01 3gds s ALA 45 N -0.59 3.68 -0.02 -1.55 0.00 -1.26 -4.98 121.76 117.05 3gds s ALA 45 Ca 0.58 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.80 3gds s ALA 45 Cb -0.47 -3.81 0.02 0.00 0.00 0.00 0.00 23.12 18.87 3gds s ALA 45 CO 0.56 -1.40 0.31 0.45 0.00 0.00 0.00 175.76 175.68 3gds s SER 46 N 3.56 -0.20 -0.28 0.00 0.15 -1.26 -5.01 113.70 110.66 3gds s SER 46 Ca 0.85 0.13 0.12 0.00 0.70 0.00 0.00 55.95 57.75 3gds s SER 46 Cb -0.45 0.34 0.63 0.00 -1.71 0.00 0.00 66.02 64.83 3gds s SER 46 CO 0.39 -0.42 1.62 -1.22 1.20 0.00 0.00 173.24 174.81 3gds n TYR 47 N 1.42 1.71 -0.26 3.44 4.02 -1.26 -4.67 117.16 121.56 3gds n TYR 47 Ca -0.21 -1.22 0.05 0.00 -0.01 0.00 0.00 57.90 56.51 3gds n TYR 47 Cb 0.56 -0.54 0.28 0.00 -0.02 0.00 0.00 39.34 39.62 3gds n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 3gds h ASN 48 N 1.96 0.83 -0.10 7.72 -0.00 -1.95 -1.64 115.58 122.41 3gds h ASN 48 Ca 0.19 0.01 0.02 0.00 -0.00 0.00 0.00 56.30 56.52 3gds h ASN 48 Cb 1.94 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 40.06 3gds h ASN 48 CO 0.52 0.53 -0.04 0.25 -0.00 0.00 0.00 177.43 178.69 3gds h LEU 49 N 0.94 -0.13 -0.85 0.34 5.85 -1.89 0.50 115.31 120.07 3gds h LEU 49 Ca 0.37 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.18 3gds h LEU 49 Cb 0.22 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3gds h LEU 49 CO -0.13 -0.05 0.53 0.00 -0.34 0.00 0.00 178.44 178.44 3gds h ALA 50 N 1.07 1.16 -0.44 1.25 0.00 -1.52 -1.38 119.26 119.40 3gds h ALA 50 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gds h ALA 50 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gds h ALA 50 CO -0.12 0.27 0.24 0.28 0.00 0.00 0.00 179.25 179.92 3gds h VAL 51 N 0.96 1.16 -0.06 0.00 2.07 -0.23 -1.63 116.25 118.52 3gds h VAL 51 Ca 0.37 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3gds h VAL 51 Cb 0.16 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3gds h VAL 51 CO -0.17 0.17 -0.43 0.03 0.02 0.00 0.00 177.57 177.19 3gds h ARG 52 N 0.57 0.14 0.00 1.57 3.08 0.36 -0.21 114.38 119.89 3gds h ARG 52 Ca 0.15 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 59.90 3gds h ARG 52 Cb 0.06 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gds h ARG 52 CO -0.02 0.55 -0.97 0.00 -1.07 0.00 0.00 179.97 178.45 3gds h ARG 53 N 0.12 0.48 0.00 0.04 3.08 -1.07 -3.41 114.38 113.61 3gds h ARG 53 Ca 0.01 -0.52 -0.27 0.00 0.07 0.00 0.00 59.98 59.27 3gds h ARG 53 Cb 0.82 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 3gds h ARG 53 CO 0.06 1.16 -2.03 0.00 -1.07 0.00 0.00 179.97 178.10 3gds n ALA 54 N -2.57 1.61 -0.29 0.04 0.00 -0.63 -4.59 120.51 114.09 3gds n ALA 54 Ca -0.08 -0.79 0.04 0.00 0.00 0.00 0.00 53.44 52.61 3gds n ALA 54 Cb 0.85 0.07 0.18 0.00 0.00 0.00 0.00 19.45 20.55 3gds n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gds h ALA 55 N 0.06 1.18 -0.52 0.00 0.00 -1.22 -1.92 119.26 116.84 3gds h ALA 55 Ca -0.40 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.67 3gds h ALA 55 Cb 1.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3gds h ALA 55 CO -0.06 0.03 0.36 -1.35 0.00 0.00 0.00 179.25 178.23 3gds h PRO 56 N 0.72 0.19 0.00 0.00 0.11 -1.81 -0.46 132.00 130.76 3gds h PRO 56 Ca 0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3gds h PRO 56 Cb 0.44 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3gds h PRO 56 CO -0.28 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.64 3gds h ALA 57 N 1.74 1.00 -2.48 -0.75 0.00 -1.61 -3.41 119.26 113.76 3gds h ALA 57 Ca 0.24 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.59 3gds h ALA 57 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3gds h ALA 57 CO -0.04 0.00 0.30 0.08 0.00 0.00 0.00 179.25 179.59 3gds s VAL 58 N -3.32 4.93 0.23 0.00 1.01 -0.18 -1.65 120.40 121.42 3gds s VAL 58 Ca 0.06 1.63 0.11 0.00 0.00 0.00 0.00 61.98 63.78 3gds s VAL 58 Cb 0.07 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3gds s VAL 58 CO 0.62 0.11 -0.18 0.68 0.00 0.00 0.00 175.10 176.33 3gds s VAL 59 N 1.61 2.64 -0.12 2.92 -7.23 0.97 -4.57 120.40 116.62 3gds s VAL 59 Ca 0.40 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.24 3gds s VAL 59 Cb -0.17 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 3gds s VAL 59 CO 0.16 -0.26 0.64 0.20 -0.31 0.00 0.00 175.10 175.53 3gds s ASN 60 N -3.14 6.82 -0.17 4.85 0.01 -0.27 -1.03 114.94 122.02 3gds s ASN 60 Ca 0.26 1.00 -0.02 0.00 -0.71 0.00 0.00 52.86 53.39 3gds s ASN 60 Cb -0.07 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3gds s ASN 60 CO 0.14 -0.16 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.78 3gds s VAL 61 N 1.19 3.13 -0.18 1.60 1.01 0.23 -0.83 120.40 126.56 3gds s VAL 61 Ca 0.32 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3gds s VAL 61 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3gds s VAL 61 CO 0.14 0.48 -0.14 -0.31 0.00 0.00 0.00 175.10 175.27 3gds s TYR 62 N 0.89 2.82 -0.45 5.22 1.51 0.52 -1.06 117.35 126.80 3gds s TYR 62 Ca -0.02 -1.15 -0.18 0.00 -1.01 0.00 0.00 57.07 54.70 3gds s TYR 62 Cb -0.15 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.79 3gds s TYR 62 CO 0.00 -0.57 0.53 1.21 -1.11 0.00 0.00 175.55 175.62 3gds s ASN 63 N 1.07 6.23 -0.12 2.29 3.84 -0.22 -0.88 114.94 127.15 3gds s ASN 63 Ca -0.00 -0.72 -0.03 0.00 0.21 0.00 0.00 52.86 52.32 3gds s ASN 63 Cb -0.14 -2.26 -0.03 0.00 -0.55 0.00 0.00 41.25 38.26 3gds s ASN 63 CO -0.04 -0.72 -0.02 -0.13 -2.79 0.00 0.00 177.10 173.40 3gds s ARG 64 N 2.40 3.31 0.03 0.43 0.52 0.31 -0.65 118.95 125.30 3gds s ARG 64 Ca 0.15 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3gds s ARG 64 Cb -0.18 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3gds s ARG 64 CO 0.14 0.47 -0.07 0.20 0.02 0.00 0.00 175.30 176.07 3gds s GLY 65 N -0.26 0.43 0.43 -3.53 0.00 0.49 -0.91 107.32 103.97 3gds s GLY 65 Ca 0.05 -0.69 -0.23 0.00 0.00 0.00 0.00 44.72 43.84 3gds s GLY 65 CO 0.02 -0.74 1.10 1.08 0.00 0.00 0.00 173.10 174.56 3gds s LEU 66 N -1.47 4.08 0.08 0.66 1.43 -1.26 -2.02 118.68 120.18 3gds s LEU 66 Ca -0.11 2.16 0.10 0.00 -1.03 0.00 0.00 54.13 55.25 3gds s LEU 66 Cb -0.10 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 3gds s LEU 66 CO 0.00 -0.69 -0.25 0.20 0.23 0.00 0.00 176.35 175.84 3gds s ASN 67 N -1.47 3.35 0.35 2.29 0.01 -1.26 -4.92 114.94 113.30 3gds s ASN 67 Ca 0.60 -0.63 0.09 0.00 -0.71 0.00 0.00 52.86 52.22 3gds s ASN 67 Cb -0.25 -0.32 0.83 0.00 0.41 0.00 0.00 41.25 41.92 3gds s ASN 67 CO 0.31 0.22 1.85 0.71 -1.51 0.00 0.00 177.10 178.69 3gds h THR 68 N 4.02 0.80 -0.02 1.60 1.35 -1.98 0.12 112.91 118.80 3gds h THR 68 Ca -0.49 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3gds h THR 68 Cb 1.16 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3gds h THR 68 CO 0.43 0.12 0.00 -1.13 -0.25 0.00 0.00 175.52 174.69 3gds h ASN 69 N 0.68 0.03 -1.26 5.36 -0.73 -1.99 -3.27 115.58 114.39 3gds h ASN 69 Ca 0.47 -0.25 0.40 0.00 1.87 0.00 0.00 56.30 58.79 3gds h ASN 69 Cb 0.79 -0.01 -0.12 0.00 0.27 0.00 0.00 38.32 39.26 3gds h ASN 69 CO -0.23 0.28 0.81 0.28 -0.37 0.00 0.00 177.43 178.20 3gds h SER 70 N -0.22 0.28 -6.68 1.15 0.02 -1.06 -3.46 113.55 103.58 3gds h SER 70 Ca 0.01 0.13 -0.47 0.00 -0.84 0.00 0.00 61.79 60.61 3gds h SER 70 Cb 0.26 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3gds h SER 70 CO 0.00 -0.13 -1.10 0.00 -1.14 0.00 0.00 176.83 174.46 3gds n HIS 71 N -4.68 -2.06 -1.07 3.45 1.44 -0.89 -2.51 115.22 108.90 3gds n HIS 71 Ca 0.35 0.85 -0.02 0.00 -2.01 0.00 0.00 57.72 56.89 3gds n HIS 71 Cb 1.32 -2.51 -0.01 0.00 0.12 0.00 0.00 29.99 28.91 3gds n HIS 71 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3gds n ASN 72 N -2.18 -3.83 -4.33 4.39 3.02 -1.26 -5.00 115.26 106.06 3gds n ASN 72 Ca -0.28 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 53.99 3gds n ASN 72 Cb 0.68 -1.53 -0.15 0.00 -0.61 0.00 0.00 39.78 38.17 3gds n ASN 72 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gds s GLN 73 N -1.30 3.31 0.19 3.52 -1.52 -1.05 -5.10 119.66 117.73 3gds s GLN 73 Ca 0.00 -0.72 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 3gds s GLN 73 Cb 0.00 -2.59 -0.08 0.00 -0.22 0.00 0.00 33.01 30.11 3gds s GLN 73 CO 0.00 0.17 1.27 -0.51 -0.25 0.00 0.00 175.29 175.97 3gds s LEU 74 N 0.44 4.43 0.12 2.90 1.43 -1.26 -4.31 118.68 122.43 3gds s LEU 74 Ca -0.11 2.34 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 3gds s LEU 74 Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3gds s LEU 74 CO 0.05 -0.47 -0.12 -1.61 0.23 0.00 0.00 176.35 174.43 3gds s GLU 75 N -0.15 0.96 -0.27 1.70 2.02 -0.85 -4.94 118.70 117.17 3gds s GLU 75 Ca 0.55 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 3gds s GLU 75 Cb -0.35 -0.73 -0.00 0.00 0.10 0.00 0.00 34.13 33.15 3gds s GLU 75 CO 0.38 0.13 1.28 0.42 0.02 0.00 0.00 175.26 177.48 3gds s ILE 76 N -2.40 4.19 -0.11 -1.63 -1.09 -1.26 -0.37 121.20 118.53 3gds s ILE 76 Ca 0.09 1.38 -0.15 0.00 -2.23 0.00 0.00 60.65 59.74 3gds s ILE 76 Cb -0.03 -4.12 -0.13 0.00 -1.58 0.00 0.00 42.46 36.60 3gds s ILE 76 CO 0.02 -0.38 0.43 0.03 -1.23 0.00 0.00 174.94 173.80 3gds h ARG 77 N 8.96 -0.03 -4.04 2.79 3.08 -1.21 -3.47 114.38 120.46 3gds h ARG 77 Ca -0.26 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3gds h ARG 77 Cb 1.10 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.98 3gds h ARG 77 CO 1.02 0.45 -0.63 0.99 -1.07 0.00 0.00 179.97 180.72 3gds s THR 78 N -2.04 0.17 0.01 2.04 2.01 -1.16 -5.05 115.64 111.61 3gds s THR 78 Ca -0.10 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.55 3gds s THR 78 Cb -0.01 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 3gds s THR 78 CO 0.35 -0.75 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.00 3gds s LEU 79 N -2.34 2.09 0.00 4.42 0.05 -1.26 -1.06 118.68 120.58 3gds s LEU 79 Ca -0.02 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 53.94 3gds s LEU 79 Cb 0.01 -0.13 0.00 0.00 -2.05 0.00 0.00 46.19 44.02 3gds s LEU 79 CO -0.06 -0.06 0.00 0.61 -0.55 0.00 0.00 176.35 176.29 3gds n GLY 80 N 2.49 3.80 3.75 -3.48 0.00 -0.22 -3.90 105.19 107.62 3gds n GLY 80 Ca -0.16 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 3gds n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gds s SER 81 N 1.69 4.10 0.10 1.61 0.01 -1.15 -0.60 113.70 119.45 3gds s SER 81 Ca 0.00 -1.62 -0.23 0.00 1.31 0.00 0.00 55.95 55.41 3gds s SER 81 Cb 0.00 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.71 3gds s SER 81 CO 0.00 -0.81 0.57 -0.83 0.41 0.00 0.00 173.24 172.58 3gds s GLY 82 N -3.86 -0.52 -0.10 3.44 0.00 -0.19 -4.03 107.32 102.06 3gds s GLY 82 Ca 0.09 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.39 3gds s GLY 82 CO 0.05 0.23 -0.22 0.14 0.00 0.00 0.00 173.10 173.30 3gds s VAL 83 N -3.12 2.26 -0.51 1.40 1.01 -0.14 -0.02 120.40 121.27 3gds s VAL 83 Ca -0.02 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 3gds s VAL 83 Cb -0.00 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.53 3gds s VAL 83 CO -0.07 0.55 1.12 -0.63 0.00 0.00 0.00 175.10 176.07 3gds s ILE 84 N 0.27 4.19 0.01 2.22 1.01 -0.66 -0.65 121.20 127.59 3gds s ILE 84 Ca -0.15 1.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.33 3gds s ILE 84 Cb -0.17 -4.62 -0.30 0.00 0.01 0.00 0.00 42.46 37.38 3gds s ILE 84 CO 0.08 -1.10 1.02 0.24 0.00 0.00 0.00 174.94 175.18 3gds h MET 85 N 9.31 0.47 -3.67 2.79 2.86 -1.46 -0.67 114.93 124.56 3gds h MET 85 Ca -0.24 -0.67 -0.07 0.00 -2.06 0.00 0.00 59.70 56.66 3gds h MET 85 Cb 1.06 0.23 -0.12 0.00 0.06 0.00 0.00 31.60 32.83 3gds h MET 85 CO 1.13 1.29 -0.22 0.16 1.06 0.00 0.00 176.91 180.34 3gds s ASP 86 N -7.17 -0.05 0.00 1.22 1.47 -1.25 -4.53 116.67 106.37 3gds s ASP 86 Ca -0.11 -0.67 0.07 0.00 1.18 0.00 0.00 52.55 53.02 3gds s ASP 86 Cb 0.03 0.46 0.31 0.00 -0.34 0.00 0.00 42.92 43.38 3gds s ASP 86 CO 0.88 -0.90 1.17 0.00 0.68 0.00 0.00 175.17 177.01 3gds n GLN 87 N -0.22 0.03 0.19 2.11 6.02 -1.26 -1.43 117.38 122.82 3gds n GLN 87 Ca -0.10 0.33 0.14 0.00 -0.01 0.00 0.00 57.00 57.35 3gds n GLN 87 Cb 0.63 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.98 3gds n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gds h ARG 88 N 0.00 0.00 0.00 -1.09 3.08 -1.96 -3.44 114.38 110.97 3gds h ARG 88 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gds h ARG 88 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3gds h ARG 88 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gds n GLY 89 N -0.10 1.45 3.72 0.04 0.00 -0.52 -4.81 105.19 104.98 3gds n GLY 89 Ca 0.01 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3gds n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gds s TYR 90 N -2.00 3.54 -0.07 1.61 1.51 -1.24 -1.61 117.35 119.09 3gds s TYR 90 Ca 0.00 1.02 0.05 0.00 -1.01 0.00 0.00 57.07 57.13 3gds s TYR 90 Cb 0.00 -2.65 -0.00 0.00 -0.11 0.00 0.00 41.96 39.20 3gds s TYR 90 CO 0.00 0.14 -0.22 0.42 -1.11 0.00 0.00 175.55 174.78 3gds s ILE 91 N 0.69 1.83 0.19 2.71 1.01 0.30 -1.14 121.20 126.79 3gds s ILE 91 Ca 0.30 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 3gds s ILE 91 Cb -0.16 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.66 3gds s ILE 91 CO 0.13 0.51 0.58 -0.63 0.00 0.00 0.00 174.94 175.53 3gds s ILE 92 N 0.13 4.84 0.25 2.92 1.01 0.18 -0.64 121.20 129.89 3gds s ILE 92 Ca -0.10 0.77 -0.22 0.00 0.00 0.00 0.00 60.65 61.11 3gds s ILE 92 Cb -0.15 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.66 3gds s ILE 92 CO 0.05 0.11 0.82 0.28 0.00 0.00 0.00 174.94 176.21 3gds s THR 93 N -1.62 0.00 0.49 2.92 -1.32 -0.74 -0.97 115.64 114.41 3gds s THR 93 Ca 0.42 -0.87 -0.20 0.00 -1.21 0.00 0.00 61.69 59.84 3gds s THR 93 Cb -0.14 -2.16 -0.09 0.00 -1.51 0.00 0.00 72.50 68.61 3gds s THR 93 CO 0.20 0.00 1.01 0.20 -2.21 0.00 0.00 174.62 173.82 3gds s ASN 94 N -2.97 6.46 0.15 8.08 0.01 -1.26 -1.10 114.94 124.31 3gds s ASN 94 Ca 0.13 1.82 -0.09 0.00 -0.71 0.00 0.00 52.86 54.01 3gds s ASN 94 Cb -0.04 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 3gds s ASN 94 CO 0.06 -0.70 1.45 0.50 -1.51 0.00 0.00 177.10 176.91 3gds h LYS 95 N 1.47 0.82 0.00 -0.60 3.64 -1.38 -3.09 116.57 117.44 3gds h LYS 95 Ca -0.49 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.40 3gds h LYS 95 Cb 1.21 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3gds h LYS 95 CO 0.60 1.12 0.00 1.12 -2.27 0.00 0.00 179.45 180.02 3gds h HIS 96 N 0.64 0.00 -0.20 1.91 2.07 -1.92 -0.68 115.15 116.97 3gds h HIS 96 Ca 0.03 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.35 3gds h HIS 96 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 3gds h HIS 96 CO 0.06 0.00 -0.66 0.28 -3.07 0.00 0.00 177.93 174.55 3gds h VAL 97 N 0.00 1.29 -0.02 6.12 2.07 -1.93 -3.33 116.25 120.45 3gds h VAL 97 Ca 0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3gds h VAL 97 Cb 0.31 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3gds h VAL 97 CO 0.00 0.60 -0.18 2.30 0.02 0.00 0.00 177.57 180.30 3gds n ILE 98 N -3.95 0.00 -1.62 4.57 -6.64 -0.78 -4.52 119.36 106.42 3gds n ILE 98 Ca -0.05 -0.41 -0.45 0.00 -1.77 0.00 0.00 62.75 60.07 3gds n ILE 98 Cb 0.68 1.32 -0.02 0.00 -1.44 0.00 0.00 39.64 40.18 3gds n ILE 98 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 3gds n ASN 99 N 0.55 1.81 -4.05 7.28 3.02 -0.33 -2.81 115.26 120.73 3gds n ASN 99 Ca 0.10 1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 55.51 3gds n ASN 99 Cb 0.44 -1.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.26 3gds n ASN 99 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gds n ASP 100 N 1.32 -2.61 -4.72 6.41 8.00 -1.26 -4.93 116.55 118.77 3gds n ASP 100 Ca 0.09 -0.95 -0.37 0.00 0.71 0.00 0.00 54.79 54.27 3gds n ASP 100 Cb 0.32 -3.15 -0.07 0.00 -0.02 0.00 0.00 41.12 38.21 3gds n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gds s ALA 101 N -3.52 3.53 0.13 2.24 0.00 -1.12 -4.87 121.76 118.15 3gds s ALA 101 Ca 0.46 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 3gds s ALA 101 Cb -0.25 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 20.25 3gds s ALA 101 CO 0.89 -0.01 1.33 -0.44 0.00 0.00 0.00 175.76 177.52 3gds h ASP 102 N 6.81 0.63 -4.53 0.00 3.32 -1.66 -3.46 116.42 117.54 3gds h ASP 102 Ca -0.40 -0.47 -0.16 0.00 0.02 0.00 0.00 57.03 56.02 3gds h ASP 102 Cb 1.17 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.30 3gds h ASP 102 CO 0.75 1.25 -0.52 -1.58 -1.72 0.00 0.00 179.24 177.42 3gds s GLN 103 N -3.45 0.36 -0.17 3.56 0.74 -0.09 -5.02 119.66 115.58 3gds s GLN 103 Ca -0.07 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.16 3gds s GLN 103 Cb 0.09 0.15 0.02 0.00 1.10 0.00 0.00 33.01 34.37 3gds s GLN 103 CO 0.87 -0.08 -0.18 0.42 -0.55 0.00 0.00 175.29 175.78 3gds s ILE 104 N -0.85 1.88 -0.13 -2.34 1.01 -1.26 -0.53 121.20 118.98 3gds s ILE 104 Ca -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 3gds s ILE 104 Cb -0.05 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3gds s ILE 104 CO 0.01 0.51 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 3gds s ILE 105 N 1.35 4.01 -0.12 2.92 -1.09 -0.06 -0.42 121.20 127.79 3gds s ILE 105 Ca 0.05 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 3gds s ILE 105 Cb -0.13 -2.73 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 3gds s ILE 105 CO -0.12 0.53 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.30 3gds s VAL 106 N -0.02 3.14 -0.13 2.92 1.01 -0.03 -0.36 120.40 126.93 3gds s VAL 106 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3gds s VAL 106 Cb -0.13 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3gds s VAL 106 CO 0.02 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.51 3gds s ALA 107 N 0.20 1.75 0.60 5.51 0.00 -0.01 -0.97 121.76 128.85 3gds s ALA 107 Ca -0.07 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 3gds s ALA 107 Cb -0.15 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3gds s ALA 107 CO 0.05 -0.26 0.95 -0.51 0.00 0.00 0.00 175.76 175.99 3gds s LEU 108 N 1.30 3.23 0.46 0.00 1.02 -0.52 -1.11 118.68 123.07 3gds s LEU 108 Ca 0.00 1.00 0.29 0.00 0.02 0.00 0.00 54.13 55.44 3gds s LEU 108 Cb -0.14 -3.89 0.96 0.00 0.02 0.00 0.00 46.19 43.15 3gds s LEU 108 CO -0.07 -0.99 1.82 1.56 0.02 0.00 0.00 176.35 178.69 3gds h GLN 109 N -0.24 0.00 -0.00 1.70 1.08 -1.80 -2.85 115.11 113.00 3gds h GLN 109 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3gds h GLN 109 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3gds h GLN 109 CO 0.62 0.00 -0.03 -0.40 -0.95 0.00 0.00 178.83 178.07 3gds n ASP 110 N -2.94 0.07 0.00 1.46 5.68 -1.26 -4.91 116.55 114.66 3gds n ASP 110 Ca 0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 3gds n ASP 110 Cb 0.38 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3gds n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gds n GLY 111 N 1.35 1.61 3.75 6.12 0.00 -1.08 -5.09 105.19 111.86 3gds n GLY 111 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3gds n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gds n ARG 112 N -0.19 2.16 -4.60 1.61 1.74 -1.26 -4.78 116.66 111.35 3gds n ARG 112 Ca 0.00 0.77 -0.24 0.00 -0.77 0.00 0.00 57.85 57.61 3gds n ARG 112 Cb 0.00 -2.58 -0.16 0.00 -1.02 0.00 0.00 32.46 28.69 3gds n ARG 112 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gds s VAL 113 N -1.20 1.12 0.12 1.55 1.01 -1.26 -1.43 120.40 120.31 3gds s VAL 113 Ca 0.62 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3gds s VAL 113 Cb -0.46 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3gds s VAL 113 CO 0.57 0.35 -0.19 -0.36 0.00 0.00 0.00 175.10 175.46 3gds s PHE 114 N 0.45 1.74 0.24 5.22 0.40 -0.14 -5.00 117.98 120.87 3gds s PHE 114 Ca -0.10 -0.44 -0.22 0.00 -0.60 0.00 0.00 56.93 55.57 3gds s PHE 114 Cb -0.14 -0.93 -0.09 0.00 0.51 0.00 0.00 43.02 42.38 3gds s PHE 114 CO 0.03 0.23 0.78 -2.00 0.70 0.00 0.00 175.22 174.95 3gds s GLU 115 N -2.18 4.36 0.05 0.44 2.12 -1.26 -0.85 118.70 121.38 3gds s GLU 115 Ca 0.09 1.00 0.05 0.00 0.36 0.00 0.00 54.97 56.47 3gds s GLU 115 Cb -0.09 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 3gds s GLU 115 CO 0.05 0.39 -0.09 0.00 -0.54 0.00 0.00 175.26 175.07 3gds s ALA 116 N -1.50 2.96 -0.21 6.30 0.00 0.44 -4.71 121.76 125.04 3gds s ALA 116 Ca 0.44 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 3gds s ALA 116 Cb -0.18 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3gds s ALA 116 CO 0.22 0.63 0.05 -1.17 0.00 0.00 0.00 175.76 175.49 3gds s LEU 117 N -1.79 3.58 -0.62 0.00 0.20 0.51 -4.51 118.68 116.05 3gds s LEU 117 Ca 0.19 -0.07 -0.27 0.00 0.69 0.00 0.00 54.13 54.67 3gds s LEU 117 Cb -0.11 -1.92 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 3gds s LEU 117 CO 0.10 0.09 1.44 -0.22 -0.29 0.00 0.00 176.35 177.47 3gds s LEU 118 N 0.87 3.32 0.09 -0.68 2.96 -1.26 0.12 118.68 124.10 3gds s LEU 118 Ca 0.03 0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 3gds s LEU 118 Cb -0.14 -2.84 -0.09 0.00 0.50 0.00 0.00 46.19 43.63 3gds s LEU 118 CO 0.02 -1.84 1.44 0.58 -1.32 0.00 0.00 176.35 175.23 3gds h VAL 119 N 6.35 1.30 0.00 1.68 2.07 -1.07 -3.49 116.25 123.10 3gds h VAL 119 Ca -0.27 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3gds h VAL 119 Cb 1.09 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3gds h VAL 119 CO 1.21 0.40 0.00 0.61 0.02 0.00 0.00 177.57 179.81 3gds n GLY 120 N 0.01 0.73 3.20 2.17 0.00 -1.20 -4.69 105.19 105.41 3gds n GLY 120 Ca -0.04 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 3gds n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gds s SER 121 N 0.00 0.10 -0.15 1.61 1.04 -1.26 -0.96 113.70 114.08 3gds s SER 121 Ca 0.00 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 3gds s SER 121 Cb 0.00 0.33 0.06 0.00 0.10 0.00 0.00 66.02 66.51 3gds s SER 121 CO 0.00 -0.70 0.08 -0.62 0.98 0.00 0.00 173.24 172.98 3gds s ASP 122 N -2.73 2.15 0.45 7.02 2.15 -0.36 -4.60 116.67 120.75 3gds s ASP 122 Ca 0.03 -0.50 0.12 0.00 0.43 0.00 0.00 52.55 52.63 3gds s ASP 122 Cb 0.04 -0.23 1.02 0.00 -0.30 0.00 0.00 42.92 43.45 3gds s ASP 122 CO -0.10 -0.33 2.06 0.28 -0.17 0.00 0.00 175.17 176.91 3gds h SER 123 N 8.42 0.20 -0.43 -0.34 0.02 -1.84 0.03 113.55 119.61 3gds h SER 123 Ca -0.15 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3gds h SER 123 Cb 1.15 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3gds h SER 123 CO 0.27 0.20 -0.10 0.25 -1.14 0.00 0.00 176.83 176.31 3gds h LEU 124 N 0.23 0.88 -1.81 5.07 5.85 -1.95 -2.86 115.31 120.73 3gds h LEU 124 Ca 0.06 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3gds h LEU 124 Cb 0.08 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3gds h LEU 124 CO -0.00 1.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.44 3gds n THR 125 N -4.16 0.12 -3.39 1.05 -2.24 -1.15 -4.97 114.28 99.54 3gds n THR 125 Ca 0.02 -0.56 -0.25 0.00 -2.27 0.00 0.00 64.05 60.99 3gds n THR 125 Cb 0.38 1.25 0.02 0.00 -2.10 0.00 0.00 70.33 69.88 3gds n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gds n ASP 126 N 0.98 -4.88 -4.82 3.42 2.03 -0.04 -4.96 116.55 108.28 3gds n ASP 126 Ca 0.11 -0.45 -0.22 0.00 0.52 0.00 0.00 54.79 54.75 3gds n ASP 126 Cb 0.44 -3.95 -0.04 0.00 -0.72 0.00 0.00 41.12 36.85 3gds n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gds s LEU 127 N -6.77 3.49 -0.20 -2.67 1.43 -0.96 -1.42 118.68 111.57 3gds s LEU 127 Ca 0.44 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.68 3gds s LEU 127 Cb -0.22 -2.07 0.09 0.00 0.03 0.00 0.00 46.19 44.03 3gds s LEU 127 CO 0.54 -0.35 0.84 0.00 0.23 0.00 0.00 176.35 177.61 3gds s ALA 128 N -2.35 -1.85 -0.11 4.21 0.00 -0.26 -1.22 121.76 120.19 3gds s ALA 128 Ca 0.40 1.75 0.02 0.00 0.00 0.00 0.00 51.96 54.13 3gds s ALA 128 Cb -0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 3gds s ALA 128 CO 0.25 -0.32 -0.17 0.08 0.00 0.00 0.00 175.76 175.61 3gds s VAL 129 N -0.27 2.76 0.10 0.00 1.01 -0.13 -1.79 120.40 122.07 3gds s VAL 129 Ca -0.02 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3gds s VAL 129 Cb -0.03 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3gds s VAL 129 CO 0.01 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.79 3gds s LEU 130 N 0.14 3.00 -0.13 3.92 1.43 0.18 -0.41 118.68 126.82 3gds s LEU 130 Ca -0.09 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3gds s LEU 130 Cb -0.15 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3gds s LEU 130 CO 0.05 0.19 -0.22 -0.75 0.23 0.00 0.00 176.35 175.86 3gds s LYS 131 N -2.11 2.94 0.03 1.70 2.47 0.12 -0.54 119.74 124.34 3gds s LYS 131 Ca 0.20 -0.83 0.09 0.00 -1.56 0.00 0.00 55.97 53.87 3gds s LYS 131 Cb -0.11 -2.34 -0.03 0.00 -1.46 0.00 0.00 37.83 33.90 3gds s LYS 131 CO 0.13 0.03 -0.26 0.96 0.16 0.00 0.00 175.35 176.37 3gds s ILE 132 N 0.70 2.11 -0.32 5.43 -4.36 -0.63 -0.36 121.20 123.76 3gds s ILE 132 Ca -0.10 -1.31 -0.11 0.00 -0.26 0.00 0.00 60.65 58.87 3gds s ILE 132 Cb -0.16 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 3gds s ILE 132 CO 0.01 0.42 0.19 0.20 0.24 0.00 0.00 174.94 176.00 3gds s ASN 133 N -1.06 5.76 -0.15 4.36 -0.87 -1.26 -4.45 114.94 117.26 3gds s ASN 133 Ca 0.11 -0.49 -0.01 0.00 -1.57 0.00 0.00 52.86 50.90 3gds s ASN 133 Cb -0.10 -2.06 0.04 0.00 -0.02 0.00 0.00 41.25 39.11 3gds s ASN 133 CO 0.01 -0.21 -0.04 0.00 -2.57 0.00 0.00 177.10 174.29 3gds s ALA 134 N 1.66 1.32 0.16 0.60 0.00 -1.26 -4.99 121.76 119.25 3gds s ALA 134 Ca 0.05 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 3gds s ALA 134 Cb -0.17 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.90 3gds s ALA 134 CO 0.08 -0.74 1.54 1.79 0.00 0.00 0.00 175.76 178.43 3gds h THR 135 N 6.36 1.27 -4.26 0.00 1.35 -1.99 -3.44 112.91 112.20 3gds h THR 135 Ca -0.23 -1.41 -0.50 0.00 -0.55 0.00 0.00 66.41 63.71 3gds h THR 135 Cb 1.12 1.17 0.12 0.00 -1.73 0.00 0.00 68.15 68.83 3gds h THR 135 CO 0.38 0.49 0.32 -0.83 -0.25 0.00 0.00 175.52 175.62 3gds s GLY 136 N -3.76 1.65 0.54 5.82 0.00 -1.26 -4.99 107.32 105.33 3gds s GLY 136 Ca -0.11 0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.47 3gds s GLY 136 CO 0.87 0.46 1.36 -0.32 0.00 0.00 0.00 173.10 175.47 3gds s GLY 137 N -3.57 2.89 -0.03 0.20 0.00 -1.26 -5.03 107.32 100.51 3gds s GLY 137 Ca 0.61 1.34 0.06 0.00 0.00 0.00 0.00 44.72 46.73 3gds s GLY 137 CO 0.56 1.86 -0.22 1.08 0.00 0.00 0.00 173.10 176.38 3gds s LEU 138 N -3.47 2.29 0.38 0.66 1.43 -1.26 -5.11 118.68 113.60 3gds s LEU 138 Ca 0.71 -0.37 -0.26 0.00 -1.03 0.00 0.00 54.13 53.17 3gds s LEU 138 Cb -0.40 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 3gds s LEU 138 CO 0.48 0.33 1.15 -2.84 0.23 0.00 0.00 176.35 175.70 3gds s PRO 139 N -0.64 4.18 0.08 1.29 0.02 -1.26 -4.80 135.00 133.86 3gds s PRO 139 Ca 0.10 1.82 0.07 0.00 0.02 0.00 0.00 61.00 63.01 3gds s PRO 139 Cb -0.10 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 3gds s PRO 139 CO -0.00 -0.21 -0.19 0.95 -0.33 0.00 0.00 177.00 177.22 3gds s THR 140 N -1.39 1.50 0.03 0.99 -4.23 -1.26 -4.64 115.64 106.64 3gds s THR 140 Ca 0.55 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 3gds s THR 140 Cb -0.30 -1.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 3gds s THR 140 CO 0.39 -0.03 1.23 -0.51 -0.54 0.00 0.00 174.62 175.15 3gds s ILE 141 N -1.07 4.02 0.20 2.99 1.10 -0.26 -4.74 121.20 123.44 3gds s ILE 141 Ca 0.04 1.43 -0.32 0.00 -0.51 0.00 0.00 60.65 61.29 3gds s ILE 141 Cb -0.09 -3.92 -0.12 0.00 0.15 0.00 0.00 42.46 38.48 3gds s ILE 141 CO 0.03 0.08 1.74 -2.65 -2.11 0.00 0.00 174.94 172.03 3gds n PRO 142 N 4.33 2.77 -4.83 3.50 -0.02 -1.26 -4.91 135.00 134.59 3gds n PRO 142 Ca 0.10 1.00 -0.27 0.00 -2.02 0.00 0.00 63.50 62.31 3gds n PRO 142 Cb 0.46 -2.85 -0.17 0.00 -0.02 0.00 0.00 33.50 30.92 3gds n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gds s ILE 143 N 1.40 1.48 -0.45 4.25 1.01 -1.26 -1.09 121.20 126.54 3gds s ILE 143 Ca 0.76 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3gds s ILE 143 Cb -0.50 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 40.78 3gds s ILE 143 CO 0.33 0.43 0.20 0.21 0.00 0.00 0.00 174.94 176.11 3gds s ASN 144 N 0.51 4.18 0.49 3.58 3.84 -1.26 -4.98 114.94 121.30 3gds s ASN 144 Ca -0.15 -2.64 0.33 0.00 0.21 0.00 0.00 52.86 50.61 3gds s ASN 144 Cb -0.16 -1.40 1.69 0.00 -0.55 0.00 0.00 41.25 40.83 3gds s ASN 144 CO 0.05 -0.28 2.01 0.00 -2.79 0.00 0.00 177.10 176.09 3gds h ALA 145 N 6.89 1.00 -0.00 1.71 0.00 -1.98 -0.08 119.26 126.80 3gds h ALA 145 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gds h ALA 145 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gds h ALA 145 CO 0.58 0.00 -0.34 0.54 0.00 0.00 0.00 179.25 180.03 3gds n ARG 146 N -2.73 0.51 -2.64 0.00 1.74 -1.26 -4.89 116.66 107.38 3gds n ARG 146 Ca -0.01 -0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 3gds n ARG 146 Cb 0.12 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3gds n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gds s ARG 147 N -2.69 4.55 -0.35 5.56 6.06 -0.05 -5.03 118.95 127.01 3gds s ARG 147 Ca 0.19 1.52 -0.09 0.00 -2.50 0.00 0.00 55.73 54.85 3gds s ARG 147 Cb 0.19 -3.42 0.02 0.00 0.06 0.00 0.00 34.95 31.81 3gds s ARG 147 CO 0.59 -0.05 0.16 0.08 -2.50 0.00 0.00 175.30 173.57 3gds s VAL 148 N 0.83 4.31 0.18 7.11 1.01 -1.26 -5.04 120.40 127.54 3gds s VAL 148 Ca 0.53 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 3gds s VAL 148 Cb -0.24 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.67 3gds s VAL 148 CO 0.29 -0.15 1.68 -2.84 0.00 0.00 0.00 175.10 174.08 3gds s PRO 149 N 1.52 4.16 0.08 2.72 0.02 -1.26 -5.00 135.00 137.23 3gds s PRO 149 Ca 0.01 2.51 0.08 0.00 0.02 0.00 0.00 61.00 63.63 3gds s PRO 149 Cb -0.19 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 3gds s PRO 149 CO 0.05 -0.71 -0.19 -1.01 -0.33 0.00 0.00 177.00 174.81 3gds s HIS 150 N 1.40 2.52 -0.05 6.54 3.76 -1.26 -5.08 115.29 123.12 3gds s HIS 150 Ca 0.74 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 55.08 3gds s HIS 150 Cb -0.47 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 31.77 3gds s HIS 150 CO 0.32 0.31 1.73 0.42 -0.85 0.00 0.00 174.74 176.67 3gds s ILE 151 N -1.03 3.46 0.00 0.60 1.01 -1.26 -1.70 121.20 122.28 3gds s ILE 151 Ca 0.16 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3gds s ILE 151 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3gds s ILE 151 CO 0.07 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3gds n GLY 152 N 4.29 0.76 3.70 6.18 0.00 -0.74 -4.98 105.19 114.40 3gds n GLY 152 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gds n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gds s ASP 153 N -1.86 6.66 0.22 1.61 1.01 -0.69 -4.73 116.67 118.89 3gds s ASP 153 Ca 0.00 2.43 -0.32 0.00 0.71 0.00 0.00 52.55 55.38 3gds s ASP 153 Cb 0.00 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 3gds s ASP 153 CO 0.00 -0.83 1.70 -0.69 0.21 0.00 0.00 175.17 175.57 3gds s VAL 154 N 2.21 2.03 0.07 -1.27 1.01 -1.26 -1.50 120.40 121.69 3gds s VAL 154 Ca 0.71 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.74 3gds s VAL 154 Cb -0.39 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3gds s VAL 154 CO 0.31 0.00 -0.09 0.68 0.00 0.00 0.00 175.10 176.00 3gds s VAL 155 N 1.01 0.72 -0.09 2.92 -7.23 0.51 -3.36 120.40 114.87 3gds s VAL 155 Ca 0.73 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3gds s VAL 155 Cb -0.49 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 3gds s VAL 155 CO 0.34 -0.46 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.75 3gds s LEU 156 N -1.98 2.58 -0.22 1.32 1.43 0.17 -1.19 118.68 120.80 3gds s LEU 156 Ca -0.03 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 3gds s LEU 156 Cb -0.06 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3gds s LEU 156 CO -0.00 0.23 0.31 0.00 0.23 0.00 0.00 176.35 177.11 3gds s ALA 157 N -0.03 3.58 -0.13 4.21 0.00 0.10 -1.49 121.76 128.00 3gds s ALA 157 Ca -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3gds s ALA 157 Cb -0.14 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3gds s ALA 157 CO 0.04 -0.26 -0.17 0.42 0.00 0.00 0.00 175.76 175.80 3gds s ILE 158 N 1.22 2.66 0.00 0.00 1.01 -0.34 -1.87 121.20 123.88 3gds s ILE 158 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3gds s ILE 158 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3gds s ILE 158 CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.15 3gds n GLY 159 N 3.71 0.74 2.48 6.18 0.00 -1.08 -2.21 105.19 115.01 3gds n GLY 159 Ca -0.19 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 3gds n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gds n ASN 160 N -0.15 2.99 -4.67 1.61 5.15 -1.06 -0.23 115.26 118.91 3gds n ASN 160 Ca 0.00 -3.32 -0.46 0.00 -0.60 0.00 0.00 54.58 50.19 3gds n ASN 160 Cb 0.00 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.57 3gds n ASN 160 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3gds n PRO 161 N 0.63 2.14 -1.79 1.20 -0.02 -1.26 -2.28 135.00 133.62 3gds n PRO 161 Ca 0.28 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.44 3gds n PRO 161 Cb 0.45 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3gds n PRO 161 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gds n TYR 162 N 3.82 -0.99 -2.88 6.00 4.02 0.05 -1.26 117.16 125.92 3gds n TYR 162 Ca 0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.85 3gds n TYR 162 Cb 0.29 -2.21 0.02 0.00 -0.02 0.00 0.00 39.34 37.42 3gds n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gds n ASN 163 N -0.80 -5.74 0.04 7.72 5.15 -0.97 -4.86 115.26 115.81 3gds n ASN 163 Ca -0.10 -0.21 0.13 0.00 -0.60 0.00 0.00 54.58 53.80 3gds n ASN 163 Cb 0.43 -4.68 0.38 0.00 -0.53 0.00 0.00 39.78 35.38 3gds n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3gds n LEU 164 N -3.71 0.46 0.00 1.20 4.77 -0.39 -5.03 117.00 114.30 3gds n LEU 164 Ca -0.14 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3gds n LEU 164 Cb 0.63 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3gds n LEU 164 CO 0.42 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3gds n GLY 165 N 1.42 2.43 3.66 -0.72 0.00 -1.26 -5.00 105.19 105.72 3gds n GLY 165 Ca 0.05 -2.01 -0.51 0.00 0.00 0.00 0.00 46.02 43.56 3gds n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gds n GLN 166 N 0.34 1.77 -4.42 1.61 7.27 -1.26 -4.45 117.38 118.24 3gds n GLN 166 Ca 0.00 0.63 -0.33 0.00 0.07 0.00 0.00 57.00 57.38 3gds n GLN 166 Cb 0.00 -2.50 -0.10 0.00 2.41 0.00 0.00 30.24 30.05 3gds n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3gds s THR 167 N 4.45 3.88 -0.21 1.69 2.01 0.68 -4.96 115.64 123.18 3gds s THR 167 Ca 0.97 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 3gds s THR 167 Cb -0.80 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.04 3gds s THR 167 CO 0.55 0.44 -0.12 -0.63 -0.69 0.00 0.00 174.62 174.16 3gds s ILE 168 N -0.99 2.56 0.17 1.82 -1.09 -1.26 -2.64 121.20 119.77 3gds s ILE 168 Ca 0.17 -0.91 0.09 0.00 -2.23 0.00 0.00 60.65 57.78 3gds s ILE 168 Cb -0.11 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 3gds s ILE 168 CO 0.07 0.39 -0.13 0.42 -1.23 0.00 0.00 174.94 174.46 3gds s THR 169 N 1.33 2.99 -0.08 2.92 -4.23 -0.78 -4.96 115.64 112.82 3gds s THR 169 Ca 0.03 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 3gds s THR 169 Cb -0.15 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.23 3gds s THR 169 CO -0.08 -0.08 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.10 3gds s GLN 170 N -2.70 2.80 0.00 3.99 -0.44 -1.26 -0.73 119.66 121.33 3gds s GLN 170 Ca 0.23 -0.87 0.00 0.00 -2.50 0.00 0.00 55.36 52.22 3gds s GLN 170 Cb -0.09 -2.21 0.00 0.00 -1.64 0.00 0.00 33.01 29.07 3gds s GLN 170 CO 0.13 0.25 0.00 0.41 0.50 0.00 0.00 175.29 176.58 3gds n GLY 171 N 3.32 3.71 3.54 2.59 0.00 -0.33 -4.52 105.19 113.50 3gds n GLY 171 Ca -0.19 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 3gds n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gds s ILE 172 N -2.22 1.62 -0.47 -0.61 -4.36 -1.26 -0.37 121.20 113.53 3gds s ILE 172 Ca 0.00 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 3gds s ILE 172 Cb 0.00 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.85 3gds s ILE 172 CO 0.00 -0.01 1.24 -0.63 0.24 0.00 0.00 174.94 175.78 3gds s ILE 173 N -2.99 4.08 0.18 8.37 1.01 -0.56 -3.13 121.20 128.16 3gds s ILE 173 Ca 0.36 1.08 0.06 0.00 0.00 0.00 0.00 60.65 62.15 3gds s ILE 173 Cb 0.09 -4.48 -0.14 0.00 0.01 0.00 0.00 42.46 37.94 3gds s ILE 173 CO 0.17 -0.97 1.41 0.28 0.00 0.00 0.00 174.94 175.83 3gds h SER 174 N 9.80 0.09 -5.17 3.58 0.02 0.65 -1.96 113.55 120.56 3gds h SER 174 Ca -0.25 -0.07 0.20 0.00 -0.84 0.00 0.00 61.79 60.83 3gds h SER 174 Cb 1.08 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.47 3gds h SER 174 CO 1.12 0.89 0.59 0.00 -1.14 0.00 0.00 176.83 178.30 3gds s ALA 175 N -3.15 -1.86 0.16 3.77 0.00 -1.00 -4.92 121.76 114.77 3gds s ALA 175 Ca -0.01 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.58 3gds s ALA 175 Cb 0.11 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3gds s ALA 175 CO 0.81 -0.92 -0.07 0.95 0.00 0.00 0.00 175.76 176.52 3gds s THR 176 N -2.97 1.10 -1.40 0.00 -4.23 -1.26 -1.32 115.64 105.55 3gds s THR 176 Ca 0.11 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3gds s THR 176 Cb 0.00 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.88 3gds s THR 176 CO -0.02 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 3gds n GLY 177 N -0.24 0.68 3.75 3.99 0.00 -1.03 -4.97 105.19 107.38 3gds n GLY 177 Ca -0.09 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 3gds n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gds s ARG 178 N -3.93 4.71 0.03 1.61 1.81 -0.08 -4.65 118.95 118.45 3gds s ARG 178 Ca 0.00 1.69 0.28 0.00 -1.72 0.00 0.00 55.73 55.97 3gds s ARG 178 Cb 0.00 -3.23 1.04 0.00 -0.45 0.00 0.00 34.95 32.30 3gds s ARG 178 CO 0.00 0.30 1.81 0.44 -0.68 0.00 0.00 175.30 177.16 3gds n ILE 179 N 1.45 0.10 -1.79 1.52 -5.35 -1.26 0.11 119.36 114.15 3gds n ILE 179 Ca -0.01 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3gds n ILE 179 Cb 0.46 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 3gds n ILE 179 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gds n GLY 180 N 1.47 -1.81 0.25 3.28 0.00 -1.26 -4.46 105.19 102.66 3gds n GLY 180 Ca 0.06 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 3gds n GLY 180 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3gds h LEU 181 N 0.00 0.89 -9.70 0.99 8.10 -1.98 -3.44 115.31 110.18 3gds h LEU 181 Ca 0.00 -0.44 -0.52 0.00 0.11 0.00 0.00 57.88 57.03 3gds h LEU 181 Cb 0.00 -0.25 0.02 0.00 -0.44 0.00 0.00 40.66 39.99 3gds h LEU 181 CO 0.00 1.22 0.56 0.20 -4.11 0.00 0.00 178.44 176.30 3gds s ASN 182 N -6.90 7.08 0.27 0.17 0.01 -1.26 -4.94 114.94 109.37 3gds s ASN 182 Ca -0.10 2.28 0.04 0.00 -0.71 0.00 0.00 52.86 54.37 3gds s ASN 182 Cb 0.11 -2.61 0.36 0.00 0.41 0.00 0.00 41.25 39.52 3gds s ASN 182 CO 0.87 -0.36 1.65 1.55 -1.51 0.00 0.00 177.10 179.31 3gds h PRO 183 N 4.93 0.34 -6.82 -0.60 0.13 -1.88 -3.45 132.00 124.65 3gds h PRO 183 Ca -0.45 -0.17 -0.50 0.00 -0.87 0.00 0.00 66.00 64.01 3gds h PRO 183 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gds h PRO 183 CO 0.73 0.71 0.10 0.95 -0.23 0.00 0.00 178.00 180.26 3gds s THR 184 N -4.14 4.80 0.00 1.56 -4.23 -1.26 -4.57 115.64 107.80 3gds s THR 184 Ca -0.05 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 3gds s THR 184 Cb 0.13 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3gds s THR 184 CO 0.79 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 3gds n GLY 185 N -1.29 0.71 7.00 3.99 0.00 -1.26 -4.94 105.19 109.40 3gds n GLY 185 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gds n GLY 185 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gds n ARG 186 N -2.53 0.00 -0.38 1.61 1.85 -1.26 -4.83 116.66 111.11 3gds n ARG 186 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3gds n ARG 186 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3gds n ARG 186 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3gds n GLN 187 N 8.14 0.00 -3.37 2.89 1.13 -1.26 -4.38 117.38 120.53 3gds n GLN 187 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 3gds n GLN 187 Cb 0.00 -1.00 0.01 0.00 0.11 0.00 0.00 30.24 29.36 3gds n GLN 187 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3gds n ASN 188 N 0.00 -4.39 -4.66 1.08 5.15 -1.20 -4.75 115.26 106.50 3gds n ASN 188 Ca 0.00 -0.42 -0.43 0.00 -0.60 0.00 0.00 54.58 53.13 3gds n ASN 188 Cb 0.00 -3.59 -0.01 0.00 -0.53 0.00 0.00 39.78 35.66 3gds n ASN 188 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3gds n PHE 189 N -4.17 1.87 -2.96 1.20 3.72 0.30 -3.97 117.46 113.45 3gds n PHE 189 Ca -0.03 0.60 -0.40 0.00 -0.05 0.00 0.00 57.45 57.57 3gds n PHE 189 Cb 0.56 -2.35 -0.05 0.00 -0.94 0.00 0.00 39.48 36.70 3gds n PHE 189 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gds s LEU 190 N -0.55 4.44 -0.18 4.37 1.43 0.93 -0.91 118.68 128.22 3gds s LEU 190 Ca 0.57 1.46 -0.07 0.00 -1.03 0.00 0.00 54.13 55.06 3gds s LEU 190 Cb -0.61 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 3gds s LEU 190 CO 0.61 -0.01 0.05 -1.58 0.23 0.00 0.00 176.35 175.65 3gds s GLN 191 N 0.06 3.95 0.04 1.70 0.74 -0.44 0.21 119.66 125.93 3gds s GLN 191 Ca 0.40 -0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.48 3gds s GLN 191 Cb -0.20 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 3gds s GLN 191 CO 0.23 0.28 -0.09 -0.08 -0.55 0.00 0.00 175.29 175.08 3gds s THR 192 N 0.35 0.69 -1.70 -0.34 -1.32 0.12 0.13 115.64 113.57 3gds s THR 192 Ca 0.02 -1.02 0.21 0.00 -1.21 0.00 0.00 61.69 59.69 3gds s THR 192 Cb -0.12 -0.71 0.64 0.00 -1.51 0.00 0.00 72.50 70.80 3gds s THR 192 CO 0.00 -0.26 1.54 -0.90 -2.21 0.00 0.00 174.62 172.79 3gds n ASP 193 N 1.63 4.08 -4.71 8.08 5.75 -1.18 -1.14 116.55 129.05 3gds n ASP 193 Ca -0.21 -2.11 -0.42 0.00 -0.01 0.00 0.00 54.79 52.04 3gds n ASP 193 Cb 0.55 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 3gds n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gds s ALA 194 N -1.20 3.74 0.08 2.12 0.00 -1.26 -4.69 121.76 120.55 3gds s ALA 194 Ca 0.48 1.31 -0.32 0.00 0.00 0.00 0.00 51.96 53.43 3gds s ALA 194 Cb 0.26 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 3gds s ALA 194 CO 0.30 -0.79 1.82 0.43 0.00 0.00 0.00 175.76 177.51 3gds n SER 195 N 4.17 3.79 -4.17 0.00 7.64 -1.26 -4.80 113.62 118.99 3gds n SER 195 Ca 0.14 0.99 -0.29 0.00 1.01 0.00 0.00 58.87 60.72 3gds n SER 195 Cb 0.39 -1.49 -0.17 0.00 -1.01 0.00 0.00 64.21 61.93 3gds n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gds s ILE 196 N 2.82 1.76 0.25 0.44 -1.09 -1.26 -4.78 121.20 119.35 3gds s ILE 196 Ca 0.84 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 3gds s ILE 196 Cb -0.55 -1.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 3gds s ILE 196 CO 0.40 0.49 0.10 0.20 -1.23 0.00 0.00 174.94 174.90 3gds s ASN 197 N 0.35 1.15 0.17 3.58 0.01 -1.26 -5.00 114.94 113.95 3gds s ASN 197 Ca -0.15 -1.38 -0.33 0.00 -0.71 0.00 0.00 52.86 50.28 3gds s ASN 197 Cb -0.16 0.17 -0.14 0.00 0.41 0.00 0.00 41.25 41.52 3gds s ASN 197 CO 0.07 -0.73 1.48 -2.65 -1.51 0.00 0.00 177.10 173.75 3gds n PRO 198 N -0.45 1.92 0.00 -0.60 -0.02 -1.26 -0.98 135.00 133.62 3gds n PRO 198 Ca -0.00 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3gds n PRO 198 Cb 0.66 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3gds n PRO 198 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gds n GLY 199 N 2.87 2.99 3.56 -1.23 0.00 -1.25 -0.77 105.19 111.35 3gds n GLY 199 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3gds n GLY 199 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gds n ASN 200 N 0.00 4.10 0.00 1.61 4.13 -0.15 -2.56 115.26 122.39 3gds n ASN 200 Ca 0.00 -2.82 0.00 0.00 1.68 0.00 0.00 54.58 53.44 3gds n ASN 200 Cb 0.00 -1.74 0.00 0.00 -1.54 0.00 0.00 39.78 36.50 3gds n ASN 200 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gds n GLY 202 N 5.54 0.00 3.87 7.41 0.00 0.25 -4.51 105.19 117.74 3gds n GLY 202 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 3gds n GLY 202 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gds s GLY 203 N 0.00 1.73 0.06 -0.02 0.00 -1.26 -2.92 107.32 104.91 3gds s GLY 203 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 3gds s GLY 203 CO 0.00 -0.34 0.27 0.00 0.00 0.00 0.00 173.10 173.02 3gds s ALA 204 N -3.72 3.90 -0.19 3.20 0.00 -0.94 -1.42 121.76 122.60 3gds s ALA 204 Ca 0.72 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 3gds s ALA 204 Cb -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3gds s ALA 204 CO 0.53 0.72 -0.13 -1.17 0.00 0.00 0.00 175.76 175.71 3gds s LEU 205 N -2.24 2.50 0.20 0.00 2.96 0.34 -1.19 118.68 121.25 3gds s LEU 205 Ca 0.33 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3gds s LEU 205 Cb -0.13 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3gds s LEU 205 CO 0.22 0.01 -0.13 0.68 -1.32 0.00 0.00 176.35 175.82 3gds s VAL 206 N 1.24 1.62 0.31 1.68 -7.23 -0.56 0.18 120.40 117.64 3gds s VAL 206 Ca 0.03 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.01 3gds s VAL 206 Cb -0.14 -2.05 0.06 0.00 0.56 0.00 0.00 36.38 34.81 3gds s VAL 206 CO -0.06 -0.59 0.42 -0.46 -0.31 0.00 0.00 175.10 174.10 3gds n ASN 207 N -0.37 0.45 0.28 4.85 0.23 -0.79 0.46 115.26 120.38 3gds n ASN 207 Ca -0.08 -1.40 0.15 0.00 -0.53 0.00 0.00 54.58 52.72 3gds n ASN 207 Cb 0.61 -0.29 0.82 0.00 -2.08 0.00 0.00 39.78 38.84 3gds n ASN 207 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3gds h SER 208 N -0.32 0.00 1.04 0.53 4.64 -1.91 -0.46 113.55 117.06 3gds h SER 208 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3gds h SER 208 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3gds h SER 208 CO 0.14 0.07 -0.15 0.18 -0.87 0.00 0.00 176.83 176.20 3gds n LEU 209 N -3.47 0.38 0.00 5.97 4.77 -1.26 -3.67 117.00 119.72 3gds n LEU 209 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3gds n LEU 209 Cb 0.21 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3gds n LEU 209 CO 0.28 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3gds n GLY 210 N 1.43 0.70 3.77 -0.72 0.00 -0.18 -4.72 105.19 105.46 3gds n GLY 210 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3gds n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gds s GLU 211 N -0.63 4.36 -0.02 1.61 2.02 -1.26 -4.31 118.70 120.47 3gds s GLU 211 Ca 0.00 1.89 -0.30 0.00 0.02 0.00 0.00 54.97 56.58 3gds s GLU 211 Cb 0.00 -2.95 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 3gds s GLU 211 CO 0.00 -0.07 1.55 -1.17 0.02 0.00 0.00 175.26 175.59 3gds s LEU 212 N -1.94 4.32 -0.21 1.80 2.96 -0.25 -1.88 118.68 123.48 3gds s LEU 212 Ca 0.50 2.21 0.08 0.00 -0.22 0.00 0.00 54.13 56.71 3gds s LEU 212 Cb -0.33 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.60 3gds s LEU 212 CO 0.42 -0.85 0.01 0.23 -1.32 0.00 0.00 176.35 174.84 3gds n MET 213 N 6.25 0.67 -3.86 1.98 2.81 0.47 -4.78 117.12 120.67 3gds n MET 213 Ca 0.15 0.11 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 3gds n MET 213 Cb 0.43 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 3gds n MET 213 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gds n GLY 214 N 1.98 0.14 3.25 3.03 0.00 -0.91 -1.64 105.19 111.05 3gds n GLY 214 Ca -0.37 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 3gds n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gds s ILE 215 N -2.01 3.48 0.17 -0.61 -1.09 0.43 -0.50 121.20 121.07 3gds s ILE 215 Ca 0.29 -1.12 -0.32 0.00 -2.23 0.00 0.00 60.65 57.27 3gds s ILE 215 Cb -0.00 -2.93 -0.12 0.00 -1.58 0.00 0.00 42.46 37.83 3gds s ILE 215 CO -0.02 -0.08 1.74 0.59 -1.23 0.00 0.00 174.94 175.94 3gds n ASN 216 N 4.75 3.84 0.01 3.58 3.02 -0.51 -1.00 115.26 128.96 3gds n ASN 216 Ca -0.13 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 3gds n ASN 216 Cb 0.45 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 3gds n ASN 216 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3gds n THR 217 N 4.12 0.07 -4.29 3.41 -1.04 -0.41 -0.59 114.28 115.55 3gds n THR 217 Ca 0.17 0.02 -0.18 0.00 -2.04 0.00 0.00 64.05 62.02 3gds n THR 217 Cb 0.34 -0.98 -0.13 0.00 -1.82 0.00 0.00 70.33 67.74 3gds n THR 217 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3gds s LEU 218 N -5.66 2.15 -0.10 -4.42 2.96 -1.06 -4.87 118.68 107.68 3gds s LEU 218 Ca 0.00 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3gds s LEU 218 Cb 0.00 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.20 3gds s LEU 218 CO 0.00 0.01 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.26 3gds s SER 219 N -1.01 2.99 0.08 3.68 0.15 -1.26 -0.06 113.70 118.26 3gds s SER 219 Ca -0.00 -0.55 -0.31 0.00 0.70 0.00 0.00 55.95 55.80 3gds s SER 219 Cb -0.07 -1.37 -0.08 0.00 -1.71 0.00 0.00 66.02 62.79 3gds s SER 219 CO 0.01 0.14 1.55 0.12 1.20 0.00 0.00 173.24 176.26 3gds s PHE 220 N 0.44 2.75 0.00 3.44 5.36 -0.68 -4.89 117.98 124.40 3gds s PHE 220 Ca -0.17 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 3gds s PHE 220 Cb -0.17 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 3gds s PHE 220 CO 0.07 -3.30 0.05 -0.25 -1.46 0.00 0.00 175.22 170.33 3gds n ASP 221 N 5.00 0.11 -4.70 6.13 8.00 -1.26 -4.63 116.55 125.19 3gds n ASP 221 Ca 0.14 -0.42 -0.44 0.00 0.71 0.00 0.00 54.79 54.79 3gds n ASP 221 Cb 0.41 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 3gds n ASP 221 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gds n LYS 222 N -0.49 2.42 -4.78 -1.24 5.02 -1.26 -4.75 118.16 113.08 3gds n LYS 222 Ca 0.00 0.87 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 3gds n LYS 222 Cb 0.02 -2.63 -0.16 0.00 -0.02 0.00 0.00 35.03 32.24 3gds n LYS 222 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gds s SER 223 N 0.71 3.52 -0.41 4.39 1.04 -1.26 -4.62 113.70 117.07 3gds s SER 223 Ca 0.71 -0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 3gds s SER 223 Cb -0.58 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.05 3gds s SER 223 CO 0.42 0.12 0.28 0.20 0.98 0.00 0.00 173.24 175.25 3gds s ASN 224 N 0.59 5.98 0.00 7.02 -0.87 -1.26 -4.16 114.94 122.23 3gds s ASN 224 Ca -0.10 -1.02 0.00 0.00 -1.57 0.00 0.00 52.86 50.17 3gds s ASN 224 Cb -0.16 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 3gds s ASN 224 CO 0.03 -0.46 0.00 -0.67 -2.57 0.00 0.00 177.10 173.43 3gds n ASP 225 N 5.10 -2.42 0.00 -1.22 2.03 -1.26 -4.07 116.55 114.71 3gds n ASP 225 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 3gds n ASP 225 Cb 0.46 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 3gds n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gds n GLY 226 N -2.81 0.53 3.85 0.27 0.00 -1.26 -5.04 105.19 100.74 3gds n GLY 226 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3gds n GLY 226 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gds s GLU 227 N -0.11 2.00 -0.27 1.61 1.03 -1.26 -5.01 118.70 116.69 3gds s GLU 227 Ca 0.00 0.33 -0.07 0.00 0.03 0.00 0.00 54.97 55.26 3gds s GLU 227 Cb 0.00 -1.93 -0.02 0.00 -0.80 0.00 0.00 34.13 31.38 3gds s GLU 227 CO 0.00 -1.62 0.08 0.99 -1.33 0.00 0.00 175.26 173.38 3gds s THR 228 N -3.38 4.23 0.29 1.83 2.01 -1.26 -4.47 115.64 114.90 3gds s THR 228 Ca 0.61 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3gds s THR 228 Cb -0.13 -3.05 -0.12 0.00 0.01 0.00 0.00 72.50 69.21 3gds s THR 228 CO 0.52 0.24 1.49 -2.65 -0.69 0.00 0.00 174.62 173.52 3gds n PRO 229 N 4.91 2.42 -5.20 4.92 -0.02 -1.26 -5.01 135.00 135.77 3gds n PRO 229 Ca -0.15 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 3gds n PRO 229 Cb 0.50 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 3gds n PRO 229 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gds s GLU 230 N -0.82 2.81 -1.24 -0.52 2.12 -1.26 -4.76 118.70 115.04 3gds s GLU 230 Ca 0.63 -0.87 -0.02 0.00 0.36 0.00 0.00 54.97 55.07 3gds s GLU 230 Cb -0.55 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 31.58 3gds s GLU 230 CO 0.52 0.30 0.24 0.41 -0.54 0.00 0.00 175.26 176.19 3gds n GLY 231 N 3.20 -0.24 2.94 -1.50 0.00 -1.26 -4.99 105.19 103.34 3gds n GLY 231 Ca -0.18 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3gds n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gds s ILE 232 N -2.90 1.86 0.10 -0.61 1.01 -1.26 -3.60 121.20 115.81 3gds s ILE 232 Ca 0.12 -2.02 0.03 0.00 0.00 0.00 0.00 60.65 58.78 3gds s ILE 232 Cb -0.05 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3gds s ILE 232 CO 0.15 -0.58 -0.08 -0.83 0.00 0.00 0.00 174.94 173.59 3gds s GLY 233 N 1.12 0.83 0.04 6.18 0.00 -0.29 -1.68 107.32 113.52 3gds s GLY 233 Ca 0.09 -1.29 0.08 0.00 0.00 0.00 0.00 44.72 43.60 3gds s GLY 233 CO -0.13 -1.39 -0.22 -1.36 0.00 0.00 0.00 173.10 170.01 3gds s PHE 234 N -3.08 1.96 -0.00 1.90 0.08 0.91 0.12 117.98 119.87 3gds s PHE 234 Ca 0.10 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.80 3gds s PHE 234 Cb 0.01 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.28 3gds s PHE 234 CO -0.02 0.09 -0.12 0.00 -0.10 0.00 0.00 175.22 175.06 3gds s ALA 235 N -0.77 1.03 0.08 5.36 0.00 0.13 -1.29 121.76 126.30 3gds s ALA 235 Ca 0.09 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 3gds s ALA 235 Cb -0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 3gds s ALA 235 CO 0.02 0.24 1.55 0.42 0.00 0.00 0.00 175.76 177.99 3gds s ILE 236 N -0.36 3.13 0.46 0.00 -1.09 -0.17 -0.05 121.20 123.13 3gds s ILE 236 Ca 0.04 0.67 -0.25 0.00 -2.23 0.00 0.00 60.65 58.88 3gds s ILE 236 Cb -0.05 -3.43 -0.08 0.00 -1.58 0.00 0.00 42.46 37.32 3gds s ILE 236 CO -0.00 0.02 1.43 -2.65 -1.23 0.00 0.00 174.94 172.50 3gds n PRO 237 N 5.00 2.21 -0.29 2.79 -0.02 -1.26 -0.43 135.00 143.00 3gds n PRO 237 Ca 0.14 0.79 -0.04 0.00 -2.02 0.00 0.00 63.50 62.37 3gds n PRO 237 Cb 0.41 -2.63 0.07 0.00 -0.02 0.00 0.00 33.50 31.33 3gds n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gds h PHE 238 N 2.23 1.02 -0.72 6.00 -5.15 -1.61 -1.55 116.94 117.16 3gds h PHE 238 Ca -0.51 0.01 0.11 0.00 -0.20 0.00 0.00 57.97 57.38 3gds h PHE 238 Cb 1.27 -0.34 -0.08 0.00 0.22 0.00 0.00 35.95 37.02 3gds h PHE 238 CO 0.49 0.67 0.32 1.96 -2.00 0.00 0.00 178.31 179.75 3gds h GLN 239 N 1.07 0.51 -0.37 6.09 7.50 -1.90 0.13 115.11 128.14 3gds h GLN 239 Ca 0.28 -0.03 -0.11 0.00 0.50 0.00 0.00 58.65 59.29 3gds h GLN 239 Cb -0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.33 3gds h GLN 239 CO -0.06 0.34 -0.19 1.25 -1.50 0.00 0.00 178.83 178.67 3gds h LEU 240 N 0.52 0.82 -0.54 1.46 5.85 -1.81 -2.81 115.31 118.80 3gds h LEU 240 Ca 0.37 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3gds h LEU 240 Cb 0.46 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3gds h LEU 240 CO -0.32 1.05 0.24 0.00 -0.34 0.00 0.00 178.44 179.06 3gds h ALA 241 N 0.79 0.69 0.22 1.25 0.00 -0.19 -1.61 119.26 120.42 3gds h ALA 241 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gds h ALA 241 Cb 0.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3gds h ALA 241 CO 0.06 -0.14 -0.21 1.15 0.00 0.00 0.00 179.25 180.11 3gds h THR 242 N 0.45 0.54 -0.74 0.00 2.02 -0.76 -0.36 112.91 114.07 3gds h THR 242 Ca 0.25 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.51 3gds h THR 242 Cb 0.23 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3gds h THR 242 CO -0.22 0.00 0.40 0.11 0.37 0.00 0.00 175.52 176.19 3gds h LYS 243 N -0.46 0.69 -0.53 6.66 1.57 -1.22 -0.33 116.57 122.94 3gds h LYS 243 Ca -0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3gds h LYS 243 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3gds h LYS 243 CO -0.04 0.45 -0.06 0.82 -0.57 0.00 0.00 179.45 180.05 3gds h ILE 244 N 0.71 1.26 -0.26 1.86 1.08 -1.10 -2.36 117.51 118.70 3gds h ILE 244 Ca 0.35 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 3gds h ILE 244 Cb 0.29 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3gds h ILE 244 CO -0.23 0.42 0.11 -0.03 -0.69 0.00 0.00 178.15 177.73 3gds h MET 245 N 0.86 0.38 -0.91 2.37 4.05 -0.25 -1.80 114.93 119.64 3gds h MET 245 Ca 0.15 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.57 3gds h MET 245 Cb 0.59 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 3gds h MET 245 CO 0.04 0.40 0.58 -0.44 0.23 0.00 0.00 176.91 177.72 3gds h ASP 246 N 0.28 0.91 0.25 1.39 3.32 -0.94 -0.13 116.42 121.49 3gds h ASP 246 Ca 0.09 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 3gds h ASP 246 Cb 0.16 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3gds h ASP 246 CO -0.01 0.58 -0.53 0.11 -1.72 0.00 0.00 179.24 177.67 3gds h LYS 247 N 1.05 0.31 -0.01 3.56 1.57 -1.27 -1.97 116.57 119.81 3gds h LYS 247 Ca 0.40 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 3gds h LYS 247 Cb 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3gds h LYS 247 CO -0.17 0.77 -0.81 -0.07 -0.57 0.00 0.00 179.45 178.60 3gds h LEU 248 N 0.24 0.18 -0.29 2.94 3.38 -0.69 -0.63 115.31 120.44 3gds h LEU 248 Ca 0.01 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 3gds h LEU 248 Cb 1.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3gds h LEU 248 CO 0.09 0.91 -0.57 0.40 0.09 0.00 0.00 178.44 179.36 3gds h ILE 249 N 0.09 1.27 -0.09 1.22 2.04 -0.94 -3.30 117.51 117.80 3gds h ILE 249 Ca -0.03 -1.75 -0.11 0.00 1.00 0.00 0.00 64.86 63.97 3gds h ILE 249 Cb 1.41 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 3gds h ILE 249 CO 0.12 0.57 -0.37 -0.09 0.00 0.00 0.00 178.15 178.37 3gds h ARG 250 N 0.66 0.42 -5.81 2.37 2.43 -1.35 -3.46 114.38 109.64 3gds h ARG 250 Ca 0.01 -0.33 -0.50 0.00 -0.81 0.00 0.00 59.98 58.36 3gds h ARG 250 Cb 1.18 0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 30.61 3gds h ARG 250 CO 0.13 0.96 -0.78 -0.51 -1.51 0.00 0.00 179.97 178.25 3gds s ASP 251 N -6.48 2.52 0.55 -3.80 1.01 -0.25 -5.03 116.67 105.19 3gds s ASP 251 Ca -0.14 -0.85 0.37 0.00 0.71 0.00 0.00 52.55 52.64 3gds s ASP 251 Cb 0.05 -0.14 1.97 0.00 1.01 0.00 0.00 42.92 45.81 3gds s ASP 251 CO 0.79 -0.06 2.13 1.23 0.21 0.00 0.00 175.17 179.47 3gds h GLY 252 N 3.32 0.00 -2.45 0.21 0.00 -1.82 -3.34 103.07 98.99 3gds h GLY 252 Ca -0.42 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.66 3gds h GLY 252 CO 0.51 0.00 -0.55 1.09 0.00 0.00 0.00 176.54 177.59 3gds s ARG 253 N -3.92 1.33 -0.06 4.80 1.70 -1.26 -4.20 118.95 117.34 3gds s ARG 253 Ca -0.03 -1.66 -0.19 0.00 -0.47 0.00 0.00 55.73 53.37 3gds s ARG 253 Cb 0.11 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3gds s ARG 253 CO 0.36 -0.46 0.55 0.08 -1.08 0.00 0.00 175.30 174.75 3gds s VAL 254 N -4.01 5.06 -0.23 4.99 1.01 -1.26 -4.51 120.40 121.44 3gds s VAL 254 Ca 0.38 1.12 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 3gds s VAL 254 Cb 0.05 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3gds s VAL 254 CO 0.14 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.99 3gds s ILE 255 N 0.25 3.91 0.01 2.22 1.01 -1.26 -4.99 121.20 122.36 3gds s ILE 255 Ca 0.29 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3gds s ILE 255 Cb -0.17 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3gds s ILE 255 CO 0.14 0.39 -0.17 -0.13 0.00 0.00 0.00 174.94 175.17 3gds s ARG 256 N 1.44 1.26 0.23 2.79 0.52 -1.26 -4.92 118.95 119.00 3gds s ARG 256 Ca 0.05 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 3gds s ARG 256 Cb -0.15 -1.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.98 3gds s ARG 256 CO 0.01 0.33 1.24 0.20 0.02 0.00 0.00 175.30 177.11 3gds s GLY 257 N -0.70 2.69 -0.20 -3.53 0.00 -0.67 0.86 107.32 105.77 3gds s GLY 257 Ca 0.06 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3gds s GLY 257 CO 0.00 1.90 -0.05 -0.47 0.00 0.00 0.00 173.10 174.48 3gds s TYR 258 N -0.30 2.04 0.09 1.90 5.04 0.51 -3.70 117.35 122.93 3gds s TYR 258 Ca 0.53 -1.41 -0.20 0.00 -2.44 0.00 0.00 57.07 53.54 3gds s TYR 258 Cb -0.35 -1.45 -0.09 0.00 0.35 0.00 0.00 41.96 40.42 3gds s TYR 258 CO 0.40 -0.70 1.61 0.82 -1.34 0.00 0.00 175.55 176.34 3gds h ILE 259 N 6.50 1.18 0.00 3.14 2.04 -1.91 -3.16 117.51 125.30 3gds h ILE 259 Ca -0.22 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3gds h ILE 259 Cb 1.09 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3gds h ILE 259 CO 0.41 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.35 3gds n GLY 260 N -0.64 0.71 3.20 5.37 0.00 -1.26 -3.24 105.19 109.33 3gds n GLY 260 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3gds n GLY 260 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gds s ILE 261 N -2.00 2.15 -0.19 -0.61 1.01 -1.26 -2.39 121.20 117.92 3gds s ILE 261 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 3gds s ILE 261 Cb 0.00 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gds s ILE 261 CO 0.00 0.55 0.01 -0.83 0.00 0.00 0.00 174.94 174.66 3gds s GLY 262 N 0.66 1.76 0.09 6.18 0.00 -0.96 -5.02 107.32 110.02 3gds s GLY 262 Ca -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 3gds s GLY 262 CO 0.02 0.13 0.05 -0.32 0.00 0.00 0.00 173.10 172.98 3gds s GLY 263 N 0.73 0.55 -0.12 0.20 0.00 -1.26 -1.77 107.32 105.65 3gds s GLY 263 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 3gds s GLY 263 CO 0.02 -1.21 -0.11 0.50 0.00 0.00 0.00 173.10 172.30 3gds s ARG 264 N -3.95 3.34 0.49 2.90 3.00 -1.25 -4.85 118.95 118.63 3gds s ARG 264 Ca 0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 55.73 55.08 3gds s ARG 264 Cb 0.07 -2.67 -0.10 0.00 0.00 0.00 0.00 34.95 32.25 3gds s ARG 264 CO -0.06 0.28 -0.75 0.39 0.00 0.00 0.00 175.30 175.16 3gds n GLU 265 N 3.34 0.00 -2.29 3.54 1.02 -1.26 -3.98 120.64 121.01 3gds n GLU 265 Ca -0.18 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.64 3gds n GLU 265 Cb 0.53 -0.49 -0.02 0.00 -0.02 0.00 0.00 31.44 31.43 3gds n GLU 265 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3gds s GLN 280 N -0.99 3.85 0.00 3.49 0.00 -1.26 -4.39 119.66 120.36 3gds s GLN 280 Ca 0.17 0.94 0.00 0.00 -0.00 0.00 0.00 55.36 56.47 3gds s GLN 280 Cb 0.05 -2.12 0.00 0.00 0.00 0.00 0.00 33.01 30.94 3gds s GLN 280 CO 0.32 -0.35 0.00 0.41 0.00 0.00 0.00 175.29 175.66 3gds n GLY 281 N -1.72 -1.25 2.76 2.60 0.00 -1.26 -4.82 105.19 101.51 3gds n GLY 281 Ca 0.07 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 3gds n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gds s ILE 282 N -2.94 0.51 0.75 -0.61 1.01 -1.03 -4.93 121.20 113.95 3gds s ILE 282 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 3gds s ILE 282 Cb 0.00 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.68 3gds s ILE 282 CO 0.00 0.02 1.13 0.68 0.00 0.00 0.00 174.94 176.78 3gds s VAL 283 N 1.89 2.88 -0.23 2.92 -7.23 -1.26 -0.52 120.40 118.86 3gds s VAL 283 Ca 0.02 0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 60.42 3gds s VAL 283 Cb -0.15 -3.28 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 3gds s VAL 283 CO -0.07 -0.38 0.03 -0.69 -0.31 0.00 0.00 175.10 173.69 3gds s VAL 284 N -3.45 4.03 -0.16 1.32 1.01 -1.24 -3.79 120.40 118.12 3gds s VAL 284 Ca 0.60 -0.27 0.22 0.00 0.00 0.00 0.00 61.98 62.53 3gds s VAL 284 Cb -0.11 -2.86 -0.23 0.00 0.00 0.00 0.00 36.38 33.18 3gds s VAL 284 CO 0.51 0.38 0.69 0.59 0.00 0.00 0.00 175.10 177.26 3gds n ASN 285 N 4.73 0.31 -3.64 3.32 3.02 -1.20 0.18 115.26 121.98 3gds n ASN 285 Ca -0.17 0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.34 3gds n ASN 285 Cb 0.51 1.46 -0.07 0.00 -0.61 0.00 0.00 39.78 41.07 3gds n ASN 285 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gds s GLU 286 N -3.43 0.61 -0.18 3.52 2.12 -0.73 -4.92 118.70 115.69 3gds s GLU 286 Ca -0.05 0.90 -0.04 0.00 0.36 0.00 0.00 54.97 56.15 3gds s GLU 286 Cb 0.13 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.70 3gds s GLU 286 CO 0.87 -0.10 -0.04 0.08 -0.54 0.00 0.00 175.26 175.53 3gds s VAL 287 N 1.01 3.72 0.27 3.70 1.01 -1.26 -2.26 120.40 126.60 3gds s VAL 287 Ca -0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3gds s VAL 287 Cb -0.05 -2.65 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 3gds s VAL 287 CO -0.12 0.46 1.57 -0.55 0.00 0.00 0.00 175.10 176.47 3gds s SER 288 N 0.74 6.44 0.28 3.32 0.15 -1.00 -4.94 113.70 118.69 3gds s SER 288 Ca -0.02 2.87 -0.30 0.00 0.70 0.00 0.00 55.95 59.20 3gds s SER 288 Cb -0.14 -2.63 -0.12 0.00 -1.71 0.00 0.00 66.02 61.42 3gds s SER 288 CO 0.02 -0.87 1.58 -2.65 1.20 0.00 0.00 173.24 172.52 3gds n PRO 289 N 2.44 2.63 -1.98 5.44 -0.02 -1.26 -1.60 135.00 140.65 3gds n PRO 289 Ca 0.09 0.93 -0.19 0.00 -2.02 0.00 0.00 63.50 62.31 3gds n PRO 289 Cb 0.38 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.11 3gds n PRO 289 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gds n ASP 290 N 2.27 -5.20 -4.86 2.55 -0.08 -1.26 -4.95 116.55 105.02 3gds n ASP 290 Ca 0.09 0.25 -0.31 0.00 -1.51 0.00 0.00 54.79 53.31 3gds n ASP 290 Cb 0.36 -4.48 -0.04 0.00 2.34 0.00 0.00 41.12 39.30 3gds n ASP 290 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3gds s GLY 291 N -2.32 2.08 0.39 0.27 0.00 -0.63 -4.81 107.32 102.30 3gds s GLY 291 Ca 0.00 0.01 0.20 0.00 0.00 0.00 0.00 44.72 44.93 3gds s GLY 291 CO 0.00 0.24 1.71 -2.55 0.00 0.00 0.00 173.10 172.50 3gds h PRO 292 N 1.34 0.31 0.00 2.90 0.11 -1.88 2.41 132.00 137.19 3gds h PRO 292 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gds h PRO 292 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gds h PRO 292 CO 0.63 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 3gds n ALA 293 N -2.44 -0.17 -0.22 -0.75 0.00 -1.20 0.12 120.51 115.85 3gds n ALA 293 Ca 0.30 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.94 3gds n ALA 293 Cb 1.03 0.29 0.55 0.00 0.00 0.00 0.00 19.45 21.31 3gds n ALA 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gds h ALA 294 N -1.47 2.30 -0.04 0.00 0.00 0.17 0.51 119.26 120.74 3gds h ALA 294 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3gds h ALA 294 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gds h ALA 294 CO 0.00 -0.58 -0.63 -0.91 0.00 0.00 0.00 179.25 177.13 3gds h ASN 295 N 0.33 0.16 0.71 0.00 4.21 0.38 0.25 115.58 121.62 3gds h ASN 295 Ca 0.45 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.86 3gds h ASN 295 Cb 1.23 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3gds h ASN 295 CO -0.14 0.76 0.00 0.00 -1.29 0.00 0.00 177.43 176.75 3gds n ALA 296 N -2.45 1.93 -3.20 -0.83 0.00 0.32 -4.90 120.51 111.37 3gds n ALA 296 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3gds n ALA 296 Cb 0.63 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.80 3gds n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gds n GLY 297 N 0.59 -0.46 3.75 0.00 0.00 0.13 -4.91 105.19 104.29 3gds n GLY 297 Ca 0.05 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3gds n GLY 297 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gds s ILE 298 N -3.21 2.57 -0.18 -0.61 -5.25 -0.87 -4.99 121.20 108.66 3gds s ILE 298 Ca 0.39 0.33 -0.05 0.00 -0.99 0.00 0.00 60.65 60.34 3gds s ILE 298 Cb -0.17 -3.06 -0.03 0.00 2.95 0.00 0.00 42.46 42.15 3gds s ILE 298 CO 0.49 -0.10 -0.01 -1.10 -1.79 0.00 0.00 174.94 172.43 3gds s GLN 299 N -3.49 3.66 0.14 0.37 -0.21 -1.26 -4.82 119.66 114.04 3gds s GLN 299 Ca 0.77 -0.51 -0.34 0.00 0.02 0.00 0.00 55.36 55.30 3gds s GLN 299 Cb -0.30 -3.04 -0.17 0.00 1.00 0.00 0.00 33.01 30.51 3gds s GLN 299 CO 0.36 0.10 1.11 1.55 -2.12 0.00 0.00 175.29 176.29 3gds n VAL 300 N 3.97 0.74 0.00 1.09 3.14 -1.26 -3.09 118.33 122.92 3gds n VAL 300 Ca -0.17 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 3gds n VAL 300 Cb 0.52 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 3gds n VAL 300 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3gds n ASN 301 N 1.99 0.00 -4.68 6.55 3.02 0.13 -4.93 115.26 117.34 3gds n ASN 301 Ca 0.16 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.19 3gds n ASN 301 Cb 0.21 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 3gds n ASN 301 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gds n ASP 302 N 0.00 2.91 -4.66 6.41 5.75 -1.18 -3.78 116.55 122.00 3gds n ASP 302 Ca 0.00 0.97 -0.35 0.00 -0.01 0.00 0.00 54.79 55.41 3gds n ASP 302 Cb 0.00 -1.26 0.11 0.00 -1.03 0.00 0.00 41.12 38.93 3gds n ASP 302 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3gds n LEU 303 N 6.38 4.15 -3.91 -2.12 7.94 -1.26 -3.70 117.00 124.49 3gds n LEU 303 Ca 0.26 0.63 -0.30 0.00 -1.11 0.00 0.00 56.01 55.49 3gds n LEU 303 Cb 0.22 -1.47 -0.16 0.00 0.53 0.00 0.00 43.42 42.54 3gds n LEU 303 CO 0.77 -1.79 -0.41 -0.63 -1.11 0.00 0.00 177.39 174.21 3gds s ILE 304 N -1.94 1.38 0.01 1.96 1.01 0.32 -4.13 121.20 119.82 3gds s ILE 304 Ca 0.74 -1.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 3gds s ILE 304 Cb -0.32 -1.69 -0.25 0.00 0.01 0.00 0.00 42.46 40.21 3gds s ILE 304 CO 0.50 -0.13 1.08 0.40 0.00 0.00 0.00 174.94 176.79 3gds h ILE 305 N 6.65 1.41 -3.03 2.92 1.08 -1.43 -2.74 117.51 122.37 3gds h ILE 305 Ca -0.17 -2.20 0.03 0.00 -0.39 0.00 0.00 64.86 62.12 3gds h ILE 305 Cb 1.08 2.67 -0.08 0.00 -3.07 0.00 0.00 36.82 37.42 3gds h ILE 305 CO 0.40 0.65 0.21 -0.94 -0.69 0.00 0.00 178.15 177.77 3gds s SER 306 N -6.91 -0.37 -0.03 1.72 1.04 -1.25 0.27 113.70 108.17 3gds s SER 306 Ca -0.12 -0.39 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 3gds s SER 306 Cb 0.04 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.85 3gds s SER 306 CO 0.85 -1.20 0.31 -0.69 0.98 0.00 0.00 173.24 173.49 3gds s VAL 307 N -3.86 0.05 -0.99 5.02 1.01 0.26 0.18 120.40 122.07 3gds s VAL 307 Ca 0.08 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 3gds s VAL 307 Cb -0.04 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3gds s VAL 307 CO -0.01 -0.23 0.65 -0.67 0.00 0.00 0.00 175.10 174.85 3gds n ASP 308 N 1.49 -4.76 -2.27 3.32 4.64 0.87 -0.41 116.55 119.43 3gds n ASP 308 Ca -0.20 -1.06 -0.15 0.00 -1.38 0.00 0.00 54.79 51.99 3gds n ASP 308 Cb 0.56 -1.96 -0.02 0.00 -1.04 0.00 0.00 41.12 38.66 3gds n ASP 308 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3gds n ASN 309 N -2.41 -4.55 -3.79 1.67 0.23 -1.26 -4.95 115.26 100.20 3gds n ASN 309 Ca -0.21 0.16 -0.11 0.00 -0.53 0.00 0.00 54.58 53.89 3gds n ASN 309 Cb 0.63 -3.88 -0.08 0.00 -2.08 0.00 0.00 39.78 34.38 3gds n ASN 309 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3gds s LYS 310 N -4.76 0.76 0.68 -3.83 -0.14 0.45 -5.17 119.74 107.74 3gds s LYS 310 Ca 0.00 -0.54 -0.11 0.00 -1.36 0.00 0.00 55.97 53.96 3gds s LYS 310 Cb 0.00 0.33 -0.00 0.00 -1.68 0.00 0.00 37.83 36.47 3gds s LYS 310 CO 0.00 -0.24 1.06 -1.25 -0.76 0.00 0.00 175.35 174.16 3gds s PRO 311 N -2.52 3.08 -0.49 -1.68 0.05 -1.26 0.92 135.00 133.10 3gds s PRO 311 Ca -0.05 0.84 0.07 0.00 0.05 0.00 0.00 61.00 61.90 3gds s PRO 311 Cb -0.01 -2.02 0.24 0.00 0.05 0.00 0.00 34.50 32.77 3gds s PRO 311 CO -0.03 -0.97 0.60 0.00 0.05 0.00 0.00 177.00 176.65 3gds n ALA 312 N -3.02 3.09 -0.03 8.56 0.00 0.14 -4.54 120.51 124.71 3gds n ALA 312 Ca 0.07 -3.93 -0.22 0.00 0.00 0.00 0.00 53.44 49.37 3gds n ALA 312 Cb 0.54 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 3gds n ALA 312 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gds n ILE 313 N 1.29 1.72 -3.92 0.00 -0.00 -1.26 -4.16 119.36 113.02 3gds n ILE 313 Ca 0.25 -0.52 -0.36 0.00 -0.00 0.00 0.00 62.75 62.13 3gds n ILE 313 Cb 0.48 -1.79 -0.12 0.00 -0.00 0.00 0.00 39.64 38.21 3gds n ILE 313 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3gds s SER 314 N -6.99 5.12 0.19 4.38 0.15 -1.26 -4.74 113.70 110.54 3gds s SER 314 Ca -0.25 -0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 3gds s SER 314 Cb 0.07 -1.90 0.11 0.00 -1.71 0.00 0.00 66.02 62.59 3gds s SER 314 CO 0.72 0.04 1.82 0.00 1.20 0.00 0.00 173.24 177.02 3gds h ALA 315 N 7.70 0.83 -0.78 5.45 0.00 -1.95 -1.08 119.26 129.43 3gds h ALA 315 Ca -0.37 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3gds h ALA 315 Cb 1.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3gds h ALA 315 CO 0.61 0.32 0.52 -0.07 0.00 0.00 0.00 179.25 180.63 3gds h LEU 316 N 0.89 0.89 -0.76 0.00 3.38 -1.99 0.29 115.31 118.01 3gds h LEU 316 Ca 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3gds h LEU 316 Cb -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3gds h LEU 316 CO -0.04 0.64 0.39 -0.33 0.09 0.00 0.00 178.44 179.19 3gds h GLU 317 N 1.05 1.07 -0.27 1.13 4.39 -1.90 -1.87 114.58 118.19 3gds h GLU 317 Ca 0.29 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3gds h GLU 317 Cb -0.11 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 3gds h GLU 317 CO -0.07 0.82 0.03 1.15 -1.16 0.00 0.00 179.01 179.78 3gds h THR 318 N 1.06 1.24 -0.62 1.13 2.02 -0.05 -2.36 112.91 115.32 3gds h THR 318 Ca 0.26 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3gds h THR 318 Cb 0.08 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3gds h THR 318 CO -0.04 0.26 0.10 0.00 0.37 0.00 0.00 175.52 176.22 3gds h MET 319 N 0.25 1.01 -0.72 6.66 -0.00 -0.38 -1.07 114.93 120.68 3gds h MET 319 Ca 0.08 -0.25 0.00 0.00 -0.00 0.00 0.00 59.70 59.53 3gds h MET 319 Cb 0.35 -0.13 -0.04 0.00 -0.00 0.00 0.00 31.60 31.79 3gds h MET 319 CO 0.01 0.93 0.47 0.00 -0.00 0.00 0.00 176.91 178.31 3gds h ALA 320 N 1.16 0.91 -0.59 -3.00 0.00 -1.27 0.49 119.26 116.96 3gds h ALA 320 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gds h ALA 320 Cb 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gds h ALA 320 CO 0.01 0.34 0.34 0.37 0.00 0.00 0.00 179.25 180.32 3gds h GLN 321 N 0.97 0.81 -0.95 0.00 4.15 -0.99 -2.28 115.11 116.82 3gds h GLN 321 Ca 0.26 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3gds h GLN 321 Cb -0.10 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.38 3gds h GLN 321 CO -0.06 0.59 0.57 0.28 -1.93 0.00 0.00 178.83 178.28 3gds h VAL 322 N 0.79 1.26 -0.61 2.39 2.07 -0.44 -2.71 116.25 119.00 3gds h VAL 322 Ca 0.21 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3gds h VAL 322 Cb 0.00 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 3gds h VAL 322 CO -0.04 0.28 0.19 0.00 0.02 0.00 0.00 177.57 178.02 3gds h ALA 323 N 1.31 0.80 -0.81 1.67 0.00 -0.64 -3.09 119.26 118.51 3gds h ALA 323 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gds h ALA 323 Cb -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3gds h ALA 323 CO -0.06 0.48 0.46 0.93 0.00 0.00 0.00 179.25 181.05 3gds h GLU 324 N 0.88 1.13 -6.93 0.00 4.39 -1.11 -1.79 114.58 111.14 3gds h GLU 324 Ca 0.20 -0.13 -0.54 0.00 0.34 0.00 0.00 59.36 59.23 3gds h GLU 324 Cb 0.29 -0.22 0.10 0.00 -0.10 0.00 0.00 28.75 28.82 3gds h GLU 324 CO -0.01 0.82 0.78 0.42 -1.16 0.00 0.00 179.01 179.87 3gds s ILE 325 N -5.87 2.08 0.35 3.13 1.01 -1.10 -4.80 121.20 115.99 3gds s ILE 325 Ca -0.13 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 3gds s ILE 325 Cb 0.16 -3.05 -0.11 0.00 0.01 0.00 0.00 42.46 39.47 3gds s ILE 325 CO 0.81 0.02 1.39 -0.60 0.00 0.00 0.00 174.94 176.55 3gds s ARG 326 N -1.99 4.25 0.42 2.79 6.06 -1.26 -3.00 118.95 126.21 3gds s ARG 326 Ca 0.53 2.37 -0.26 0.00 -2.50 0.00 0.00 55.73 55.87 3gds s ARG 326 Cb -0.46 -3.03 -0.09 0.00 0.06 0.00 0.00 34.95 31.43 3gds s ARG 326 CO 0.62 -0.34 1.39 -2.14 -2.50 0.00 0.00 175.30 172.33 3gds s PRO 327 N -1.88 3.88 0.00 5.12 0.02 -1.26 -3.05 135.00 137.83 3gds s PRO 327 Ca 0.51 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3gds s PRO 327 Cb -0.43 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3gds s PRO 327 CO 0.57 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 3gds n GLY 328 N 0.60 1.31 3.81 0.52 0.00 0.53 -4.91 105.19 107.05 3gds n GLY 328 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3gds n GLY 328 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gds s SER 329 N -1.98 6.86 -0.13 1.61 0.01 -1.17 -4.58 113.70 114.31 3gds s SER 329 Ca 0.00 1.74 -0.00 0.00 1.31 0.00 0.00 55.95 59.00 3gds s SER 329 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 3gds s SER 329 CO 0.00 -0.42 -0.13 -0.69 0.41 0.00 0.00 173.24 172.41 3gds s VAL 330 N -2.11 3.04 0.12 3.43 1.01 -1.26 -0.97 120.40 123.66 3gds s VAL 330 Ca 0.62 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3gds s VAL 330 Cb -0.11 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3gds s VAL 330 CO 0.15 0.52 -0.09 0.27 0.00 0.00 0.00 175.10 175.95 3gds s ILE 331 N 0.35 0.98 0.35 2.22 -4.36 -1.17 -4.97 121.20 114.59 3gds s ILE 331 Ca -0.11 -1.97 -0.26 0.00 -0.26 0.00 0.00 60.65 58.05 3gds s ILE 331 Cb -0.16 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.72 3gds s ILE 331 CO 0.06 -0.77 1.04 -2.16 0.24 0.00 0.00 174.94 173.34 3gds s PRO 332 N -3.67 4.39 0.01 0.37 0.04 -1.26 -4.07 135.00 130.80 3gds s PRO 332 Ca 0.14 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.75 3gds s PRO 332 Cb 0.03 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 3gds s PRO 332 CO -0.01 0.05 -0.07 0.08 0.04 0.00 0.00 177.00 177.09 3gds s VAL 333 N -1.50 0.52 -0.17 -0.36 1.01 -1.26 -0.09 120.40 118.55 3gds s VAL 333 Ca 0.52 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 3gds s VAL 333 Cb -0.24 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3gds s VAL 333 CO 0.31 0.03 0.01 -0.69 0.00 0.00 0.00 175.10 174.75 3gds s VAL 334 N -0.41 4.25 0.02 2.92 1.01 0.13 -4.03 120.40 124.29 3gds s VAL 334 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3gds s VAL 334 Cb -0.04 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3gds s VAL 334 CO -0.00 0.47 -0.09 0.52 0.00 0.00 0.00 175.10 176.00 3gds n VAL 335 N 3.61 1.25 -3.92 2.92 0.31 -1.26 -1.49 118.33 119.76 3gds n VAL 335 Ca -0.17 0.31 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 3gds n VAL 335 Cb 0.52 -1.78 -0.15 0.00 -0.91 0.00 0.00 33.84 31.53 3gds n VAL 335 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gds s THR 343 N -2.23 1.85 -0.14 2.52 -4.23 -1.26 -3.96 115.64 108.18 3gds s THR 343 Ca -0.08 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.31 3gds s THR 343 Cb 0.01 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 3gds s THR 343 CO 0.11 -0.64 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.69 3gds s LEU 344 N 1.06 2.87 0.29 4.79 1.43 -1.26 -4.98 118.68 122.88 3gds s LEU 344 Ca 0.11 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 3gds s LEU 344 Cb -0.19 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 3gds s LEU 344 CO -0.13 0.16 1.02 -1.10 0.23 0.00 0.00 176.35 176.53 3gds s GLN 345 N 0.41 4.65 -0.09 1.70 -1.52 -1.26 -4.30 119.66 119.26 3gds s GLN 345 Ca -0.08 1.60 -0.08 0.00 -1.95 0.00 0.00 55.36 54.84 3gds s GLN 345 Cb -0.15 -3.09 0.02 0.00 -0.22 0.00 0.00 33.01 29.57 3gds s GLN 345 CO 0.04 0.29 0.23 0.54 -0.25 0.00 0.00 175.29 176.14 3gds s VAL 346 N -1.29 0.00 -0.28 1.09 0.11 -1.26 -4.77 120.40 114.01 3gds s VAL 346 Ca 0.46 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.38 3gds s VAL 346 Cb -0.27 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 3gds s VAL 346 CO 0.34 -0.00 0.23 -0.89 -3.33 0.00 0.00 175.10 171.45 3gds s THR 347 N 0.11 5.28 0.36 5.04 2.01 -1.26 -3.07 115.64 124.11 3gds s THR 347 Ca -0.00 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 3gds s THR 347 Cb -0.02 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 3gds s THR 347 CO 0.00 0.22 1.09 -0.63 -0.69 0.00 0.00 174.62 174.62 3gds s ILE 348 N 1.83 3.52 0.20 1.82 -1.09 -0.14 -4.84 121.20 122.51 3gds s ILE 348 Ca 0.09 1.31 0.09 0.00 -2.23 0.00 0.00 60.65 59.91 3gds s ILE 348 Cb -0.16 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 3gds s ILE 348 CO 0.11 0.15 -0.09 -1.10 -1.23 0.00 0.00 174.94 172.78 3gds s GLN 349 N -2.09 2.06 0.55 2.79 -1.52 -1.20 0.20 119.66 120.46 3gds s GLN 349 Ca 0.53 -1.34 -0.21 0.00 -1.95 0.00 0.00 55.36 52.39 3gds s GLN 349 Cb -0.27 -2.12 -0.05 0.00 -0.22 0.00 0.00 33.01 30.35 3gds s GLN 349 CO 0.34 0.41 1.29 -1.83 -0.25 0.00 0.00 175.29 175.26 3gds s GLU 350 N -3.02 3.16 0.15 2.91 -1.05 -1.26 -0.36 118.70 119.22 3gds s GLU 350 Ca 0.26 2.06 -0.34 0.00 -0.15 0.00 0.00 54.97 56.80 3gds s GLU 350 Cb -0.08 -2.18 -0.15 0.00 -0.44 0.00 0.00 34.13 31.28 3gds s GLU 350 CO 0.16 -1.12 1.51 0.98 0.95 0.00 0.00 175.26 177.74 3gds n TYR 351 N -1.12 2.08 -1.66 4.83 -0.00 0.25 -4.67 117.16 116.87 3gds n TYR 351 Ca 0.11 0.36 -0.44 0.00 -0.00 0.00 0.00 57.90 57.93 3gds n TYR 351 Cb 0.47 -2.49 -0.02 0.00 -0.00 0.00 0.00 39.34 37.30 3gds n TYR 351 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 3gds n PRO 352 N 3.15 1.92 -1.97 2.98 -0.02 -1.26 -4.89 135.00 134.91 3gds n PRO 352 Ca 0.17 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 3gds n PRO 352 Cb 0.26 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3gds n PRO 352 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gds s ALA 353 N -0.48 2.52 0.00 3.55 0.00 -1.26 -5.16 121.76 120.93 3gds s ALA 353 Ca 0.64 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3gds s ALA 353 Cb -0.65 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3gds s ALA 353 CO 0.55 -1.17 0.13 0.25 0.00 0.00 0.00 175.76 175.52