#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdr n THR 2 N 0.00 0.01 -1.75 4.28 5.66 -1.26 -4.85 114.28 116.38 1jdr n THR 2 Ca 0.00 -0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1jdr n THR 2 Cb 0.00 -0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 68.05 1jdr n THR 2 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1jdr s PRO 3 N 0.52 4.14 0.60 1.09 0.02 -1.26 -4.96 135.00 135.15 1jdr s PRO 3 Ca 0.86 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 64.28 1jdr s PRO 3 Cb -1.01 -3.44 -0.03 0.00 0.02 0.00 0.00 34.50 30.04 1jdr s PRO 3 CO 0.49 -0.80 1.09 -0.51 -0.33 0.00 0.00 177.00 176.94 1jdr s LEU 4 N 2.24 3.52 -0.19 -5.54 1.43 -1.26 -5.03 118.68 113.86 1jdr s LEU 4 Ca 0.78 1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 55.81 1jdr s LEU 4 Cb -0.46 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.20 1jdr s LEU 4 CO 0.35 -1.33 -0.07 -0.69 0.23 0.00 0.00 176.35 174.84 1jdr s VAL 5 N -2.27 3.32 -0.47 -1.59 1.01 -1.26 -4.82 120.40 114.31 1jdr s VAL 5 Ca 0.67 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 1jdr s VAL 5 Cb -0.19 -2.47 0.11 0.00 0.00 0.00 0.00 36.38 33.83 1jdr s VAL 5 CO 0.36 0.46 0.36 -1.00 0.00 0.00 0.00 175.10 175.28 1jdr s HIS 6 N 1.02 3.38 -0.13 5.22 3.76 -1.26 -5.03 115.29 122.25 1jdr s HIS 6 Ca -0.00 -1.70 -0.23 0.00 -0.15 0.00 0.00 55.06 52.98 1jdr s HIS 6 Cb -0.15 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.08 1jdr s HIS 6 CO -0.00 -0.97 0.71 0.08 -0.85 0.00 0.00 174.74 173.71 1jdr s VAL 7 N 1.42 5.00 0.22 -0.90 1.01 -1.26 0.22 120.40 126.10 1jdr s VAL 7 Ca 0.05 1.40 -0.31 0.00 0.00 0.00 0.00 61.98 63.12 1jdr s VAL 7 Cb -0.26 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1jdr s VAL 7 CO 0.01 0.16 1.53 0.00 0.00 0.00 0.00 175.10 176.80 1jdr s ALA 8 N 1.46 3.73 -0.21 5.51 0.00 0.19 -4.88 121.76 127.56 1jdr s ALA 8 Ca 0.35 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.70 1jdr s ALA 8 Cb -0.17 -3.61 0.06 0.00 0.00 0.00 0.00 23.12 19.40 1jdr s ALA 8 CO 0.14 -0.81 -0.03 0.45 0.00 0.00 0.00 175.76 175.52 1jdr s SER 9 N 0.75 3.46 0.22 0.00 0.15 0.49 -4.70 113.70 114.08 1jdr s SER 9 Ca 0.65 -1.01 -0.32 0.00 0.70 0.00 0.00 55.95 55.97 1jdr s SER 9 Cb -0.44 -0.97 -0.12 0.00 -1.71 0.00 0.00 66.02 62.78 1jdr s SER 9 CO 0.38 -0.25 1.70 0.52 1.20 0.00 0.00 173.24 176.79 1jdr n VAL 10 N 4.81 0.18 -1.66 4.45 0.31 -1.26 -4.14 118.33 121.02 1jdr n VAL 10 Ca -0.11 -0.05 -0.48 0.00 -0.01 0.00 0.00 64.34 63.70 1jdr n VAL 10 Cb 0.45 -1.96 -0.05 0.00 -0.91 0.00 0.00 33.84 31.38 1jdr n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jdr n GLU 11 N 3.63 1.97 -1.35 5.55 4.71 -1.26 -4.70 120.64 129.19 1jdr n GLU 11 Ca 0.15 0.71 -0.55 0.00 -0.01 0.00 0.00 57.16 57.46 1jdr n GLU 11 Cb 0.35 -2.47 -0.09 0.00 -1.01 0.00 0.00 31.44 28.22 1jdr n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1jdr n LYS 12 N 3.93 0.00 -0.75 3.49 3.00 -1.26 -1.24 118.16 125.33 1jdr n LYS 12 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1jdr n LYS 12 Cb 0.27 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1jdr n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jdr n GLY 13 N 4.19 0.43 3.81 3.14 0.00 -1.26 -4.99 105.19 110.50 1jdr n GLY 13 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 1jdr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdr s ARG 14 N -0.60 4.25 0.12 1.61 1.81 -0.37 -5.07 118.95 120.71 1jdr s ARG 14 Ca 0.00 1.19 0.02 0.00 -1.72 0.00 0.00 55.73 55.22 1jdr s ARG 14 Cb 0.00 -2.29 -0.01 0.00 -0.45 0.00 0.00 34.95 32.20 1jdr s ARG 14 CO 0.00 -0.02 0.12 -1.13 -0.68 0.00 0.00 175.30 173.60 1jdr n SER 15 N -0.44 -0.31 -0.23 0.23 3.41 -1.26 -4.87 113.62 110.14 1jdr n SER 15 Ca 0.06 -1.77 0.02 0.00 -0.26 0.00 0.00 58.87 56.92 1jdr n SER 15 Cb 0.53 0.68 0.10 0.00 -0.26 0.00 0.00 64.21 65.26 1jdr n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1jdr h TYR 16 N 1.38 -0.22 -0.76 7.33 5.03 -2.00 -1.78 116.97 125.96 1jdr h TYR 16 Ca -0.09 0.06 0.13 0.00 2.58 0.00 0.00 58.73 61.41 1jdr h TYR 16 Cb 0.43 0.20 -0.09 0.00 1.55 0.00 0.00 36.73 38.83 1jdr h TYR 16 CO 0.00 -0.26 0.35 1.05 -1.32 0.00 0.00 178.16 177.99 1jdr h GLU 17 N 0.05 0.52 -0.20 1.82 4.11 -1.98 0.76 114.58 119.65 1jdr h GLU 17 Ca 0.35 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.74 1jdr h GLU 17 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1jdr h GLU 17 CO -0.66 0.34 0.12 -0.44 0.07 0.00 0.00 179.01 178.45 1jdr h ASP 18 N 0.54 0.25 0.37 3.06 5.19 -1.73 -1.70 116.42 122.39 1jdr h ASP 18 Ca 0.41 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.64 1jdr h ASP 18 Cb 0.55 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1jdr h ASP 18 CO -0.35 0.24 -0.47 -0.26 -3.12 0.00 0.00 179.24 175.28 1jdr h PHE 19 N 0.23 0.15 -0.15 4.55 -1.00 -1.22 -2.08 116.94 117.43 1jdr h PHE 19 Ca 0.07 -0.05 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 1jdr h PHE 19 Cb 0.04 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1jdr h PHE 19 CO -0.04 0.58 -0.24 0.37 -1.61 0.00 0.00 178.31 177.36 1jdr h GLN 20 N 0.10 0.26 -0.53 1.51 5.75 -0.60 0.08 115.11 121.68 1jdr h GLN 20 Ca 0.00 -0.09 -0.12 0.00 -0.15 0.00 0.00 58.65 58.30 1jdr h GLN 20 Cb 0.87 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1jdr h GLN 20 CO 0.07 0.49 -0.12 0.87 -2.65 0.00 0.00 178.83 177.49 1jdr h LYS 21 N 0.24 1.03 -0.34 1.69 1.57 -0.64 0.29 116.57 120.41 1jdr h LYS 21 Ca 0.04 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1jdr h LYS 21 Cb 0.56 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1jdr h LYS 21 CO 0.04 1.08 -0.10 0.28 -0.57 0.00 0.00 179.45 180.18 1jdr h VAL 22 N 0.90 1.28 -0.17 0.50 2.07 -0.96 -1.39 116.25 118.48 1jdr h VAL 22 Ca 0.14 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.53 1jdr h VAL 22 Cb 0.69 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1jdr h VAL 22 CO 0.05 0.38 -0.08 0.22 0.02 0.00 0.00 177.57 178.16 1jdr h TYR 23 N 0.44 -0.19 -0.84 1.57 3.20 -0.84 -1.16 116.97 119.16 1jdr h TYR 23 Ca 0.08 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1jdr h TYR 23 Cb 0.60 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 1jdr h TYR 23 CO 0.05 -0.13 0.53 -0.91 -1.64 0.00 0.00 178.16 176.06 1jdr h ASN 24 N -0.06 0.85 -0.71 -2.11 -0.26 -0.73 0.15 115.58 112.70 1jdr h ASN 24 Ca 0.09 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1jdr h ASN 24 Cb 0.20 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 1jdr h ASN 24 CO -0.21 0.56 0.36 0.00 -1.06 0.00 0.00 177.43 177.08 1jdr h ALA 25 N 1.38 0.92 -0.11 -0.83 0.00 -0.61 0.16 119.26 120.17 1jdr h ALA 25 Ca 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jdr h ALA 25 Cb 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jdr h ALA 25 CO -0.15 0.46 0.01 0.82 0.00 0.00 0.00 179.25 180.40 1jdr h ILE 26 N 0.99 1.23 -0.66 0.00 2.04 -0.41 -2.04 117.51 118.66 1jdr h ILE 26 Ca 0.25 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1jdr h ILE 26 Cb 0.09 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1jdr h ILE 26 CO -0.03 0.21 0.41 0.00 0.00 0.00 0.00 178.15 178.74 1jdr h ALA 27 N 0.77 0.86 -0.65 1.87 0.00 -0.41 -0.19 119.26 121.51 1jdr h ALA 27 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1jdr h ALA 27 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1jdr h ALA 27 CO 0.00 0.18 0.14 -0.07 0.00 0.00 0.00 179.25 179.50 1jdr h LEU 28 N 0.81 0.98 -0.74 0.00 3.38 -0.64 -1.78 115.31 117.32 1jdr h LEU 28 Ca 0.26 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1jdr h LEU 28 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1jdr h LEU 28 CO -0.10 0.95 -0.59 0.50 0.09 0.00 0.00 178.44 179.30 1jdr h LYS 29 N 0.98 0.14 -0.65 1.13 3.64 -0.78 -0.57 116.57 120.47 1jdr h LYS 29 Ca 0.20 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1jdr h LYS 29 Cb 0.37 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1jdr h LYS 29 CO 0.00 0.69 0.16 -0.07 -2.27 0.00 0.00 179.45 177.96 1jdr h LEU 30 N 0.11 0.96 -0.22 5.20 3.38 -0.64 -0.01 115.31 124.09 1jdr h LEU 30 Ca -0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1jdr h LEU 30 Cb 1.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1jdr h LEU 30 CO 0.08 0.93 -0.20 -0.09 0.09 0.00 0.00 178.44 179.26 1jdr h ARG 31 N 0.98 0.52 -0.11 1.13 2.43 -1.02 -3.33 114.38 114.98 1jdr h ARG 31 Ca 0.21 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1jdr h ARG 31 Cb 0.34 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1jdr h ARG 31 CO -0.00 0.85 0.02 1.49 -1.51 0.00 0.00 179.97 180.82 1jdr h GLU 32 N 0.21 0.18 -1.99 0.20 4.57 -0.82 -3.32 114.58 113.62 1jdr h GLU 32 Ca 0.04 -0.04 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1jdr h GLU 32 Cb 0.74 -0.02 -0.19 0.00 -0.16 0.00 0.00 28.75 29.12 1jdr h GLU 32 CO 0.05 0.36 0.46 -0.25 -1.18 0.00 0.00 179.01 178.45 1jdr n ASP 33 N -4.86 6.59 0.27 1.04 10.43 -0.04 -4.70 116.55 125.28 1jdr n ASP 33 Ca -0.06 -3.27 0.17 0.00 2.57 0.00 0.00 54.79 54.20 1jdr n ASP 33 Cb 0.16 -1.21 0.69 0.00 1.84 0.00 0.00 41.12 42.59 1jdr n ASP 33 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 1jdr h ASP 34 N 2.98 0.00 0.47 -2.24 -0.00 -1.69 -3.21 116.42 112.73 1jdr h ASP 34 Ca 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.36 1jdr h ASP 34 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.97 1jdr h ASP 34 CO 0.94 0.00 -0.37 -0.33 -0.00 0.00 0.00 179.24 179.48 1jdr h GLU 35 N 0.00 0.00 -6.19 4.15 5.08 -1.90 -3.30 114.58 112.41 1jdr h GLU 35 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1jdr h GLU 35 Cb 0.49 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.83 1jdr h GLU 35 CO 0.00 0.37 0.02 0.98 -1.00 0.00 0.00 179.01 179.38 1jdr n TYR 36 N -3.93 0.73 -3.62 4.33 4.19 -1.21 -0.96 117.16 116.69 1jdr n TYR 36 Ca -0.02 0.83 -0.29 0.00 3.31 0.00 0.00 57.90 61.74 1jdr n TYR 36 Cb 0.42 -2.16 0.05 0.00 0.49 0.00 0.00 39.34 38.14 1jdr n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1jdr n ASP 37 N 1.85 -5.38 -3.87 2.98 -0.08 -1.26 -1.24 116.55 109.55 1jdr n ASP 37 Ca 0.16 -0.97 -0.26 0.00 -1.51 0.00 0.00 54.79 52.22 1jdr n ASP 37 Cb 0.22 -3.67 0.01 0.00 2.34 0.00 0.00 41.12 40.02 1jdr n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1jdr n ASN 38 N -2.77 -2.14 -0.91 1.67 3.02 -1.15 -2.04 115.26 110.94 1jdr n ASN 38 Ca -0.10 -0.87 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 1jdr n ASN 38 Cb 0.60 -3.65 -0.04 0.00 -0.61 0.00 0.00 39.78 36.07 1jdr n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jdr n TYR 39 N -4.43 -0.06 0.08 3.10 4.02 -0.13 -4.88 117.16 114.86 1jdr n TYR 39 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 1jdr n TYR 39 Cb 0.62 -2.16 -0.13 0.00 -0.02 0.00 0.00 39.34 37.64 1jdr n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1jdr h ILE 40 N 0.00 1.46 0.00 -0.72 2.04 -0.77 -3.47 117.51 116.05 1jdr h ILE 40 Ca -0.23 -3.10 0.00 0.00 1.00 0.00 0.00 64.86 62.53 1jdr h ILE 40 Cb 0.78 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1jdr h ILE 40 CO 0.34 0.88 0.00 0.61 0.00 0.00 0.00 178.15 179.98 1jdr n GLY 41 N 1.51 -0.37 0.00 5.37 0.00 -0.37 -4.65 105.19 106.68 1jdr n GLY 41 Ca -0.08 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.34 1jdr n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jdr n TYR 42 N -0.34 0.00 -0.05 1.61 4.02 -1.26 -4.32 117.16 116.82 1jdr n TYR 42 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1jdr n TYR 42 Cb 0.00 -0.31 -0.08 0.00 -0.02 0.00 0.00 39.34 38.93 1jdr n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1jdr h GLY 43 N 4.74 -0.90 0.60 2.72 0.00 -1.92 -1.95 103.07 106.36 1jdr h GLY 43 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 47.33 48.01 1jdr h GLY 43 CO 0.00 -0.19 0.03 -2.55 0.00 0.00 0.00 176.54 173.83 1jdr h PRO 44 N -0.49 0.12 0.00 4.80 0.11 -1.88 -2.42 132.00 132.24 1jdr h PRO 44 Ca 0.07 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1jdr h PRO 44 Cb 0.64 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1jdr h PRO 44 CO -0.48 0.08 -0.17 -0.24 -0.21 0.00 0.00 178.00 176.98 1jdr h VAL 45 N 0.13 1.09 -0.27 3.15 3.04 -1.80 -1.26 116.25 120.33 1jdr h VAL 45 Ca 0.14 -0.58 -0.16 0.00 -1.01 0.00 0.00 66.70 65.09 1jdr h VAL 45 Cb 0.17 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1jdr h VAL 45 CO -0.21 0.16 -0.48 -0.07 -1.01 0.00 0.00 177.57 175.97 1jdr h LEU 46 N 0.00 0.78 -0.40 3.16 3.38 -0.93 -0.23 115.31 121.06 1jdr h LEU 46 Ca -0.00 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1jdr h LEU 46 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jdr h LEU 46 CO 0.02 1.13 -0.03 0.58 0.09 0.00 0.00 178.44 180.23 1jdr h VAL 47 N 0.57 1.27 -0.64 1.22 2.07 -0.91 -1.42 116.25 118.40 1jdr h VAL 47 Ca 0.03 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1jdr h VAL 47 Cb 1.04 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1jdr h VAL 47 CO 0.10 0.36 0.22 -0.09 0.02 0.00 0.00 177.57 178.18 1jdr h ARG 48 N 0.56 0.96 -0.36 1.57 2.43 -1.11 -0.88 114.38 117.54 1jdr h ARG 48 Ca 0.11 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1jdr h ARG 48 Cb 0.52 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1jdr h ARG 48 CO 0.03 0.81 0.15 1.25 -1.51 0.00 0.00 179.97 180.70 1jdr h LEU 49 N 0.93 0.49 -0.79 3.80 5.85 -0.79 0.15 115.31 124.95 1jdr h LEU 49 Ca 0.21 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jdr h LEU 49 Cb 0.24 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1jdr h LEU 49 CO -0.01 0.51 0.50 0.00 -0.34 0.00 0.00 178.44 179.10 1jdr h ALA 50 N 1.00 1.00 -0.24 1.25 0.00 -0.74 -0.74 119.26 120.79 1jdr h ALA 50 Ca 0.12 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1jdr h ALA 50 Cb 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jdr h ALA 50 CO -0.01 0.44 -0.22 2.35 0.00 0.00 0.00 179.25 181.81 1jdr h TRP 51 N 1.07 0.69 -0.19 0.00 2.91 -0.87 -2.82 115.95 116.73 1jdr h TRP 51 Ca 0.28 -0.20 -0.09 0.00 1.13 0.00 0.00 58.89 60.02 1jdr h TRP 51 Cb -0.08 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.41 1jdr h TRP 51 CO -0.01 0.89 -0.26 0.45 -1.03 0.00 0.00 178.44 178.48 1jdr h HIS 52 N 0.28 0.40 0.00 2.65 3.86 -0.48 0.65 115.15 122.51 1jdr h HIS 52 Ca 0.04 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1jdr h HIS 52 Cb 0.77 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 1jdr h HIS 52 CO 0.07 0.60 -0.08 1.79 0.86 0.00 0.00 177.93 181.17 1jdr h THR 53 N 0.32 0.17 0.01 2.45 1.35 -1.15 -3.21 112.91 112.85 1jdr h THR 53 Ca 0.05 -0.93 -0.35 0.00 -0.55 0.00 0.00 66.41 64.62 1jdr h THR 53 Cb 0.64 1.80 -0.06 0.00 -1.73 0.00 0.00 68.15 68.80 1jdr h THR 53 CO 0.05 0.08 -2.22 -1.20 -0.25 0.00 0.00 175.52 171.98 1jdr n SER 54 N -3.16 0.61 0.00 5.36 7.64 -0.91 -3.32 113.62 119.84 1jdr n SER 54 Ca 0.02 0.09 0.06 0.00 1.01 0.00 0.00 58.87 60.05 1jdr n SER 54 Cb 0.44 0.44 0.36 0.00 -1.01 0.00 0.00 64.21 64.44 1jdr n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdr n GLY 55 N 1.79 -0.50 0.13 0.23 0.00 0.22 -2.37 105.19 104.69 1jdr n GLY 55 Ca -0.31 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1jdr n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jdr n THR 56 N -1.09 0.00 -1.75 2.61 -2.24 -1.25 -4.64 114.28 105.92 1jdr n THR 56 Ca 0.08 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 1jdr n THR 56 Cb 0.06 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1jdr n THR 56 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1jdr n TRP 57 N -0.93 2.45 -3.85 4.78 -0.00 -1.00 -4.24 117.44 114.65 1jdr n TRP 57 Ca 0.14 0.43 -0.29 0.00 -0.00 0.00 0.00 57.50 57.79 1jdr n TRP 57 Cb 0.29 -2.40 -0.16 0.00 -0.00 0.00 0.00 31.31 29.03 1jdr n TRP 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1jdr s ASP 58 N -0.73 3.29 0.59 5.87 -1.08 -0.70 -4.60 116.67 119.32 1jdr s ASP 58 Ca 0.67 -0.94 0.30 0.00 -0.52 0.00 0.00 52.55 52.06 1jdr s ASP 58 Cb -0.43 -0.91 1.74 0.00 -1.46 0.00 0.00 42.92 41.86 1jdr s ASP 58 CO 0.53 -0.25 2.16 0.07 0.52 0.00 0.00 175.17 178.20 1jdr h LYS 59 N 8.09 0.00 -0.46 4.34 2.10 -1.71 0.16 116.57 129.09 1jdr h LYS 59 Ca -0.18 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.37 1jdr h LYS 59 Cb 1.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1jdr h LYS 59 CO 0.38 0.00 -0.11 0.45 -2.00 0.00 0.00 179.45 178.17 1jdr h HIS 60 N 0.00 0.93 0.00 0.07 3.86 -1.95 -3.36 115.15 114.71 1jdr h HIS 60 Ca 0.05 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1jdr h HIS 60 Cb 0.30 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1jdr h HIS 60 CO 0.00 0.90 0.00 -0.40 0.86 0.00 0.00 177.93 179.29 1jdr n ASP 61 N -4.16 0.65 -2.27 2.45 5.68 -1.10 -5.00 116.55 112.80 1jdr n ASP 61 Ca 0.01 -1.30 -0.20 0.00 -0.50 0.00 0.00 54.79 52.81 1jdr n ASP 61 Cb 0.37 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.33 1jdr n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jdr n ASN 62 N -0.15 -5.64 -4.90 -1.12 5.15 0.02 -4.06 115.26 104.56 1jdr n ASN 62 Ca 0.00 0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.78 1jdr n ASN 62 Cb 0.38 -4.75 0.01 0.00 -0.53 0.00 0.00 39.78 34.89 1jdr n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jdr s THR 63 N -2.95 4.52 0.00 -0.44 -4.23 -1.23 -4.80 115.64 106.51 1jdr s THR 63 Ca 0.00 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1jdr s THR 63 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1jdr s THR 63 CO 0.00 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 1jdr n GLY 64 N -2.46 -0.05 0.00 3.99 0.00 -1.26 -1.73 105.19 103.68 1jdr n GLY 64 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1jdr n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdr n GLY 65 N 0.00 0.45 0.15 -0.02 0.00 -1.26 -4.69 105.19 99.82 1jdr n GLY 65 Ca 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 44.13 1jdr n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jdr h SER 66 N 0.00 0.00 -0.71 1.61 4.64 -1.74 -3.38 113.55 113.97 1jdr h SER 66 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1jdr h SER 66 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1jdr h SER 66 CO 0.00 0.56 -0.41 0.22 -0.87 0.00 0.00 176.83 176.33 1jdr h TYR 67 N 0.00 -1.18 0.00 4.77 3.20 -1.85 -2.91 116.97 119.00 1jdr h TYR 67 Ca -0.01 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1jdr h TYR 67 Cb 1.15 0.62 -0.00 0.00 1.54 0.00 0.00 36.73 40.04 1jdr h TYR 67 CO 0.00 -0.40 -0.05 0.78 -1.64 0.00 0.00 178.16 176.85 1jdr h GLY 68 N -0.14 0.00 -3.14 1.82 0.00 -1.75 -2.98 103.07 96.88 1jdr h GLY 68 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.19 1jdr h GLY 68 CO -0.78 0.00 -0.50 0.61 0.00 0.00 0.00 176.54 175.87 1jdr n GLY 69 N 0.19 -0.40 0.00 4.60 0.00 -1.10 -2.08 105.19 106.40 1jdr n GLY 69 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1jdr n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jdr n THR 70 N -4.15 1.00 0.32 2.61 -2.24 -1.26 -2.97 114.28 107.60 1jdr n THR 70 Ca -0.18 0.25 0.20 0.00 -2.27 0.00 0.00 64.05 62.05 1jdr n THR 70 Cb 0.65 -1.09 1.09 0.00 -2.10 0.00 0.00 70.33 68.88 1jdr n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1jdr h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.94 -0.93 116.97 123.92 1jdr h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jdr h TYR 71 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.40 1jdr h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 1jdr n ARG 72 N -3.37 0.17 -3.45 1.82 1.85 -1.16 -3.46 116.66 109.06 1jdr n ARG 72 Ca -0.03 0.49 -0.38 0.00 -1.00 0.00 0.00 57.85 56.94 1jdr n ARG 72 Cb 0.09 -1.89 -0.06 0.00 -1.05 0.00 0.00 32.46 29.55 1jdr n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1jdr s PHE 73 N -3.38 3.73 0.31 2.89 0.40 -0.35 -4.94 117.98 116.63 1jdr s PHE 73 Ca 0.02 1.04 0.08 0.00 -0.60 0.00 0.00 56.93 57.47 1jdr s PHE 73 Cb 0.08 -2.33 0.84 0.00 0.51 0.00 0.00 43.02 42.13 1jdr s PHE 73 CO 0.32 0.61 1.70 1.57 0.70 0.00 0.00 175.22 180.12 1jdr h LYS 74 N 4.54 0.43 -0.29 0.44 2.10 -1.87 -0.96 116.57 120.96 1jdr h LYS 74 Ca -0.51 -0.03 0.06 0.00 -2.00 0.00 0.00 60.65 58.18 1jdr h LYS 74 Cb 1.22 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.39 1jdr h LYS 74 CO 0.62 0.29 -0.10 -0.22 -2.00 0.00 0.00 179.45 178.04 1jdr h LYS 75 N 0.45 -0.04 0.01 0.07 3.64 -1.93 0.34 116.57 119.11 1jdr h LYS 75 Ca 0.62 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.75 1jdr h LYS 75 Cb 1.22 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1jdr h LYS 75 CO -0.53 -0.02 -1.02 1.49 -2.27 0.00 0.00 179.45 177.10 1jdr h GLU 76 N -0.04 0.56 -0.88 1.90 4.81 -1.67 -2.99 114.58 116.27 1jdr h GLU 76 Ca 0.14 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1jdr h GLU 76 Cb 0.26 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1jdr h GLU 76 CO -0.32 1.23 0.58 0.35 -0.73 0.00 0.00 179.01 180.13 1jdr h PHE 77 N 0.31 1.10 -0.31 0.92 3.04 -0.84 -2.38 116.94 118.79 1jdr h PHE 77 Ca -0.11 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1jdr h PHE 77 Cb 1.66 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1jdr h PHE 77 CO 0.08 0.69 0.00 0.09 -2.02 0.00 0.00 178.31 177.15 1jdr n ASN 78 N -4.41 1.92 -4.71 0.41 3.02 0.12 -4.82 115.26 106.79 1jdr n ASN 78 Ca 0.10 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 1jdr n ASN 78 Cb 0.03 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1jdr n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jdr s ASP 79 N -1.19 6.44 0.42 6.41 -1.08 -0.90 -4.85 116.67 121.92 1jdr s ASP 79 Ca 0.28 2.77 0.14 0.00 -0.52 0.00 0.00 52.55 55.22 1jdr s ASP 79 Cb 0.15 -2.58 1.01 0.00 -1.46 0.00 0.00 42.92 40.04 1jdr s ASP 79 CO 0.20 -0.96 1.93 -0.65 0.52 0.00 0.00 175.17 176.21 1jdr h PRO 80 N 7.68 0.44 0.00 4.34 0.11 -1.91 0.26 132.00 142.92 1jdr h PRO 80 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jdr h PRO 80 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jdr h PRO 80 CO 0.95 0.29 0.00 0.77 -0.21 0.00 0.00 178.00 179.80 1jdr h SER 81 N 0.45 0.00 -0.62 -2.05 0.02 -1.94 -2.14 113.55 107.27 1jdr h SER 81 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1jdr h SER 81 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1jdr h SER 81 CO -0.11 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.17 1jdr n ASN 82 N -2.53 4.00 -4.68 3.07 3.02 0.89 -4.99 115.26 114.05 1jdr n ASN 82 Ca -0.00 -2.16 -0.46 0.00 -0.03 0.00 0.00 54.58 51.93 1jdr n ASN 82 Cb 0.15 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 1jdr n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdr n ALA 83 N 1.22 1.35 0.00 5.41 0.00 -0.81 -1.21 120.51 126.46 1jdr n ALA 83 Ca 0.22 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1jdr n ALA 83 Cb 0.67 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1jdr n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdr n GLY 84 N 4.21 2.56 0.22 0.00 0.00 -1.26 -4.78 105.19 106.13 1jdr n GLY 84 Ca 0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.37 1jdr n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jdr h LEU 85 N 0.00 0.00 -2.01 0.99 3.38 -1.55 -2.41 115.31 113.71 1jdr h LEU 85 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1jdr h LEU 85 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jdr h LEU 85 CO 0.00 0.00 0.20 1.56 0.09 0.00 0.00 178.44 180.29 1jdr h GLN 86 N 0.00 0.00 -0.52 1.13 7.50 -1.92 0.12 115.11 121.42 1jdr h GLN 86 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1jdr h GLN 86 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 1jdr h GLN 86 CO 0.00 0.00 0.19 -0.91 -1.50 0.00 0.00 178.83 176.61 1jdr h ASN 87 N 0.00 0.74 -0.59 1.46 4.21 -1.83 0.46 115.58 120.03 1jdr h ASN 87 Ca 0.13 -0.18 -0.09 0.00 1.21 0.00 0.00 56.30 57.36 1jdr h ASN 87 Cb 0.53 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1jdr h ASN 87 CO -0.00 0.72 0.02 1.23 -1.29 0.00 0.00 177.43 178.11 1jdr h GLY 88 N 0.71 1.13 0.97 2.83 0.00 -1.19 -2.17 103.07 105.36 1jdr h GLY 88 Ca 0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1jdr h GLY 88 CO -0.01 0.74 0.12 -2.75 0.00 0.00 0.00 176.54 174.65 1jdr h PHE 89 N 0.96 0.82 -0.40 5.60 3.04 -0.94 -1.89 116.94 124.12 1jdr h PHE 89 Ca 0.18 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1jdr h PHE 89 Cb 0.53 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1jdr h PHE 89 CO 0.04 0.73 0.09 0.87 -2.02 0.00 0.00 178.31 178.01 1jdr h LYS 90 N 0.67 0.59 -0.59 1.11 1.57 -0.78 -1.83 116.57 117.31 1jdr h LYS 90 Ca 0.15 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1jdr h LYS 90 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1jdr h LYS 90 CO 0.00 0.55 0.09 0.35 -0.57 0.00 0.00 179.45 179.87 1jdr h PHE 91 N 0.58 1.04 0.00 -1.35 3.04 -1.01 -3.01 116.94 116.24 1jdr h PHE 91 Ca 0.13 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1jdr h PHE 91 Cb 0.24 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.46 1jdr h PHE 91 CO 0.01 0.91 0.00 -0.07 -2.02 0.00 0.00 178.31 177.14 1jdr h LEU 92 N 0.88 0.00 -0.27 0.59 3.38 -0.57 -3.35 115.31 115.96 1jdr h LEU 92 Ca 0.18 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1jdr h LEU 92 Cb 0.43 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1jdr h LEU 92 CO 0.01 0.00 -0.18 -0.33 0.09 0.00 0.00 178.44 178.04 1jdr h GLU 93 N 0.00 -0.15 -0.48 1.13 5.08 -1.23 0.36 114.58 119.30 1jdr h GLU 93 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jdr h GLU 93 Cb 0.62 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1jdr h GLU 93 CO 0.00 -0.10 0.20 -1.35 -1.00 0.00 0.00 179.01 176.76 1jdr h PRO 94 N -0.15 0.68 -0.26 2.33 0.11 -1.76 -0.35 132.00 132.59 1jdr h PRO 94 Ca 0.15 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1jdr h PRO 94 Cb 0.38 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1jdr h PRO 94 CO -0.37 0.56 0.09 0.82 -0.21 0.00 0.00 178.00 178.89 1jdr h ILE 95 N 0.68 1.19 -0.12 4.15 1.08 -1.53 -1.51 117.51 121.46 1jdr h ILE 95 Ca 0.17 -0.61 -0.09 0.00 -0.39 0.00 0.00 64.86 63.94 1jdr h ILE 95 Cb 0.13 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1jdr h ILE 95 CO -0.02 0.20 -0.31 -0.74 -0.69 0.00 0.00 178.15 176.59 1jdr h HIS 96 N 0.26 0.25 -0.49 1.37 2.76 -0.45 -0.94 115.15 117.91 1jdr h HIS 96 Ca 0.09 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 1jdr h HIS 96 Cb 0.23 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1jdr h HIS 96 CO 0.00 0.52 -0.08 0.87 -1.30 0.00 0.00 177.93 177.94 1jdr h LYS 97 N 0.20 0.89 0.00 5.26 1.57 -0.78 -0.42 116.57 123.28 1jdr h LYS 97 Ca 0.03 -0.30 -0.18 0.00 -1.87 0.00 0.00 60.65 58.33 1jdr h LYS 97 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1jdr h LYS 97 CO 0.05 0.93 -0.84 1.49 -0.57 0.00 0.00 179.45 180.51 1jdr h GLU 98 N 0.80 0.08 -2.17 3.15 4.81 -0.84 -3.34 114.58 117.07 1jdr h GLU 98 Ca 0.14 -0.08 -0.58 0.00 -0.13 0.00 0.00 59.36 58.70 1jdr h GLU 98 Cb 0.59 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 29.58 1jdr h GLU 98 CO 0.04 0.87 -0.73 1.19 -0.73 0.00 0.00 179.01 179.65 1jdr n PHE 99 N -3.61 2.89 0.20 0.92 3.01 -0.40 -4.92 117.46 115.56 1jdr n PHE 99 Ca -0.02 -4.00 0.13 0.00 1.01 0.00 0.00 57.45 54.57 1jdr n PHE 99 Cb 0.79 -0.50 0.68 0.00 -0.01 0.00 0.00 39.48 40.44 1jdr n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jdr h PRO 100 N 3.76 0.00 0.00 -1.08 0.13 -1.21 -2.60 132.00 131.00 1jdr h PRO 100 Ca 0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1jdr h PRO 100 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1jdr h PRO 100 CO 0.75 0.00 -0.17 0.11 -0.23 0.00 0.00 178.00 178.47 1jdr h TRP 101 N 0.00 0.00 -3.72 1.56 5.08 -1.91 -3.45 115.95 113.51 1jdr h TRP 101 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1jdr h TRP 101 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 1jdr h TRP 101 CO 0.00 0.17 0.43 -1.50 -1.28 0.00 0.00 178.44 176.26 1jdr s ILE 102 N -3.43 3.81 0.76 0.12 2.07 -0.98 -4.94 121.20 118.61 1jdr s ILE 102 Ca 0.03 1.74 -0.11 0.00 -1.41 0.00 0.00 60.65 60.90 1jdr s ILE 102 Cb 0.08 -4.11 0.05 0.00 0.13 0.00 0.00 42.46 38.62 1jdr s ILE 102 CO 0.64 0.38 1.09 -0.94 -1.91 0.00 0.00 174.94 174.20 1jdr s SER 103 N -0.74 4.62 0.14 4.50 1.04 -1.26 -4.87 113.70 117.13 1jdr s SER 103 Ca 0.45 1.80 -0.15 0.00 0.48 0.00 0.00 55.95 58.53 1jdr s SER 103 Cb -0.29 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.32 1jdr s SER 103 CO 0.36 -1.95 1.71 0.28 0.98 0.00 0.00 173.24 174.62 1jdr h SER 104 N -1.05 0.59 -0.61 7.02 0.02 -1.90 -1.32 113.55 116.30 1jdr h SER 104 Ca -0.44 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1jdr h SER 104 Cb 1.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1jdr h SER 104 CO 0.52 0.58 0.40 1.23 -1.14 0.00 0.00 176.83 178.41 1jdr h GLY 105 N 0.57 0.86 1.09 -3.77 0.00 -1.78 0.12 103.07 100.16 1jdr h GLY 105 Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1jdr h GLY 105 CO -0.02 0.30 0.23 -0.55 0.00 0.00 0.00 176.54 176.50 1jdr h ASP 106 N 0.81 1.06 -0.10 0.19 5.19 -1.78 -1.89 116.42 119.90 1jdr h ASP 106 Ca 0.23 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1jdr h ASP 106 Cb -0.07 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.16 1jdr h ASP 106 CO -0.06 0.98 -0.03 0.25 -3.12 0.00 0.00 179.24 177.27 1jdr h LEU 107 N 1.09 0.20 -0.30 1.55 5.85 -0.67 0.34 115.31 123.36 1jdr h LEU 107 Ca 0.24 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1jdr h LEU 107 Cb 0.30 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1jdr h LEU 107 CO -0.01 0.52 0.14 -0.26 -0.34 0.00 0.00 178.44 178.49 1jdr h PHE 108 N -0.13 0.26 -0.33 1.25 0.05 -0.71 -0.13 116.94 117.19 1jdr h PHE 108 Ca 0.03 0.01 -0.10 0.00 3.82 0.00 0.00 57.97 61.73 1jdr h PHE 108 Cb 0.44 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.30 1jdr h PHE 108 CO 0.05 0.14 -0.17 0.66 -0.18 0.00 0.00 178.31 178.81 1jdr h SER 109 N 0.30 0.73 -0.11 2.17 4.64 -1.36 -3.00 113.55 116.92 1jdr h SER 109 Ca 0.13 -0.41 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1jdr h SER 109 Cb 0.05 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1jdr h SER 109 CO -0.10 0.98 -0.01 0.25 -0.87 0.00 0.00 176.83 177.09 1jdr h LEU 110 N 0.48 0.29 -0.88 5.97 5.85 -0.69 -1.77 115.31 124.55 1jdr h LEU 110 Ca 0.07 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1jdr h LEU 110 Cb 0.71 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1jdr h LEU 110 CO 0.05 0.35 0.50 1.23 -0.34 0.00 0.00 178.44 180.23 1jdr h GLY 111 N 0.62 1.31 0.82 3.75 0.00 -0.88 0.45 103.07 109.14 1jdr h GLY 111 Ca 0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1jdr h GLY 111 CO 0.01 0.56 -0.04 -1.33 0.00 0.00 0.00 176.54 175.73 1jdr h GLY 112 N 1.23 0.45 0.91 4.60 0.00 -1.27 -1.41 103.07 107.57 1jdr h GLY 112 Ca 0.31 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1jdr h GLY 112 CO -0.05 0.33 0.23 -2.08 0.00 0.00 0.00 176.54 174.97 1jdr h VAL 113 N 0.15 1.04 -0.26 4.60 2.07 -1.15 -1.62 116.25 121.08 1jdr h VAL 113 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1jdr h VAL 113 Cb 0.48 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1jdr h VAL 113 CO 0.02 0.09 0.17 0.74 0.02 0.00 0.00 177.57 178.60 1jdr h THR 114 N 0.47 1.08 -0.19 2.57 2.02 -0.85 -2.04 112.91 115.97 1jdr h THR 114 Ca 0.16 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1jdr h THR 114 Cb 0.01 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1jdr h THR 114 CO -0.07 0.07 0.09 0.00 0.37 0.00 0.00 175.52 175.98 1jdr h ALA 115 N 1.08 0.23 -0.14 6.16 0.00 -1.04 0.82 119.26 126.37 1jdr h ALA 115 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jdr h ALA 115 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jdr h ALA 115 CO -0.02 -0.33 0.06 0.28 0.00 0.00 0.00 179.25 179.25 1jdr h VAL 116 N 0.20 0.99 -0.47 0.00 2.07 -1.20 -0.47 116.25 117.38 1jdr h VAL 116 Ca 0.08 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1jdr h VAL 116 Cb 0.02 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1jdr h VAL 116 CO -0.06 0.03 0.10 1.56 0.02 0.00 0.00 177.57 179.22 1jdr h GLN 117 N 0.14 0.75 0.00 1.57 4.20 -1.16 0.38 115.11 121.00 1jdr h GLN 117 Ca 0.06 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1jdr h GLN 117 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1jdr h GLN 117 CO -0.04 0.75 -0.23 0.93 -0.67 0.00 0.00 178.83 179.57 1jdr h GLU 118 N 0.63 0.00 -0.91 1.46 4.39 -0.65 -1.98 114.58 117.52 1jdr h GLU 118 Ca 0.14 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1jdr h GLU 118 Cb 0.34 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1jdr h GLU 118 CO 0.00 0.23 0.09 -1.33 -1.16 0.00 0.00 179.01 176.85 1jdr n MET 119 N -4.14 2.01 -1.43 2.33 2.81 -0.20 -4.83 117.12 113.67 1jdr n MET 119 Ca -0.02 -1.09 -0.11 0.00 -1.81 0.00 0.00 57.70 54.67 1jdr n MET 119 Cb 0.30 -1.63 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 1jdr n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1jdr n GLN 120 N 0.10 -0.76 -1.60 0.03 6.02 -0.74 -0.61 117.38 119.83 1jdr n GLN 120 Ca 0.14 0.83 -0.22 0.00 -0.01 0.00 0.00 57.00 57.75 1jdr n GLN 120 Cb 0.71 -4.80 0.14 0.00 1.02 0.00 0.00 30.24 27.32 1jdr n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdr n GLY 121 N -1.58 -0.99 3.73 1.08 0.00 0.09 -4.75 105.19 102.77 1jdr n GLY 121 Ca -0.11 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 1jdr n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jdr s PRO 122 N -5.08 1.53 0.26 1.61 0.04 -1.26 -4.60 135.00 127.49 1jdr s PRO 122 Ca 0.56 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1jdr s PRO 122 Cb -0.02 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1jdr s PRO 122 CO 0.39 -2.08 1.09 0.15 0.04 0.00 0.00 177.00 176.59 1jdr s LYS 123 N -4.92 4.64 -0.25 4.56 -0.14 -1.26 -4.35 119.74 118.01 1jdr s LYS 123 Ca 0.63 1.78 0.02 0.00 -1.36 0.00 0.00 55.97 57.04 1jdr s LYS 123 Cb -0.18 -3.21 0.06 0.00 -1.68 0.00 0.00 37.83 32.82 1jdr s LYS 123 CO 0.57 0.20 -0.08 0.42 -0.76 0.00 0.00 175.35 175.69 1jdr s ILE 124 N -0.97 1.92 0.41 2.17 1.01 -1.26 -4.82 121.20 119.67 1jdr s ILE 124 Ca 0.45 -1.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.34 1jdr s ILE 124 Cb -0.31 -2.11 -0.10 0.00 0.01 0.00 0.00 42.46 39.95 1jdr s ILE 124 CO 0.39 -0.09 1.39 -2.65 0.00 0.00 0.00 174.94 173.99 1jdr n PRO 125 N 4.52 2.27 -4.22 2.79 -0.02 -1.26 -4.77 135.00 134.30 1jdr n PRO 125 Ca -0.12 0.80 -0.17 0.00 -2.02 0.00 0.00 63.50 61.99 1jdr n PRO 125 Cb 0.43 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 1jdr n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1jdr s TRP 126 N -1.16 0.58 -0.06 6.00 -0.00 0.25 -4.79 118.94 119.76 1jdr s TRP 126 Ca 0.58 -0.11 0.04 0.00 -0.00 0.00 0.00 56.10 56.61 1jdr s TRP 126 Cb -0.48 -0.38 -0.02 0.00 -0.00 0.00 0.00 33.47 32.59 1jdr s TRP 126 CO 0.60 -0.01 -0.17 1.03 -0.00 0.00 0.00 176.95 178.39 1jdr s ARG 127 N -0.13 2.58 0.65 5.86 0.52 -1.26 0.22 118.95 127.40 1jdr s ARG 127 Ca 0.02 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1jdr s ARG 127 Cb -0.03 -2.34 0.09 0.00 0.52 0.00 0.00 34.95 33.19 1jdr s ARG 127 CO -0.00 0.52 0.91 0.00 0.02 0.00 0.00 175.30 176.75 1jdr n GLY 129 N -2.65 1.24 3.77 0.00 0.00 -1.26 -4.74 105.19 101.55 1jdr n GLY 129 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1jdr n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdr s ARG 130 N -0.00 4.36 -0.08 1.61 0.52 -1.26 -0.38 118.95 123.72 1jdr s ARG 130 Ca 0.00 2.21 0.05 0.00 -0.52 0.00 0.00 55.73 57.47 1jdr s ARG 130 Cb 0.00 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 1jdr s ARG 130 CO 0.00 -0.19 -0.23 0.08 0.02 0.00 0.00 175.30 174.98 1jdr s VAL 131 N -1.09 1.93 0.22 3.52 1.01 -1.13 -4.62 120.40 120.24 1jdr s VAL 131 Ca 0.49 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 1jdr s VAL 131 Cb -0.40 -1.66 -0.13 0.00 0.00 0.00 0.00 36.38 34.20 1jdr s VAL 131 CO 0.52 0.53 1.61 0.47 0.00 0.00 0.00 175.10 178.24 1jdr n ASP 132 N 3.34 3.56 -4.62 3.32 9.92 -1.26 -3.99 116.55 126.82 1jdr n ASP 132 Ca -0.19 1.10 -0.23 0.00 -0.53 0.00 0.00 54.79 54.94 1jdr n ASP 132 Cb 0.53 -1.52 -0.08 0.00 -0.64 0.00 0.00 41.12 39.41 1jdr n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1jdr s THR 133 N 0.66 3.32 0.97 -3.53 -4.23 -0.89 -5.00 115.64 106.93 1jdr s THR 133 Ca 0.72 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1jdr s THR 133 Cb -0.57 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 70.63 1jdr s THR 133 CO 0.40 -0.37 0.83 -2.65 -0.54 0.00 0.00 174.62 172.28 1jdr n PRO 134 N -0.84 -0.67 0.14 3.99 -0.02 -1.26 -4.84 135.00 131.50 1jdr n PRO 134 Ca -0.06 -0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.39 1jdr n PRO 134 Cb 0.59 -2.15 0.63 0.00 -0.02 0.00 0.00 33.50 32.55 1jdr n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jdr h GLU 135 N -1.88 0.07 0.00 -0.52 4.81 -1.99 -0.80 114.58 114.26 1jdr h GLU 135 Ca -0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1jdr h GLU 135 Cb 1.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1jdr h GLU 135 CO 0.39 0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.32 1jdr n ASP 136 N -4.48 0.10 -0.49 1.04 5.68 -1.26 -2.17 116.55 114.96 1jdr n ASP 136 Ca 0.02 0.52 0.13 0.00 -0.50 0.00 0.00 54.79 54.96 1jdr n ASP 136 Cb 0.27 -0.54 0.36 0.00 -1.14 0.00 0.00 41.12 40.06 1jdr n ASP 136 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jdr n THR 137 N -1.60 0.00 -1.87 2.12 -2.24 -0.31 -4.92 114.28 105.46 1jdr n THR 137 Ca 0.04 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1jdr n THR 137 Cb 0.22 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 1jdr n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jdr s THR 138 N -2.20 2.97 0.49 4.28 2.01 -0.92 -4.64 115.64 117.63 1jdr s THR 138 Ca 0.30 0.38 -0.22 0.00 0.31 0.00 0.00 61.69 62.47 1jdr s THR 138 Cb 0.20 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1jdr s THR 138 CO 0.41 -0.01 1.15 -2.16 -0.69 0.00 0.00 174.62 173.33 1jdr s PRO 139 N 2.89 3.59 0.82 4.92 0.04 -1.26 -5.00 135.00 140.99 1jdr s PRO 139 Ca 0.76 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.41 1jdr s PRO 139 Cb -0.41 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 31.97 1jdr s PRO 139 CO 0.34 -0.68 1.10 -0.51 0.04 0.00 0.00 177.00 177.29 1jdr s ASP 140 N -1.52 4.01 0.78 6.66 1.01 -1.26 -4.69 116.67 121.65 1jdr s ASP 140 Ca 0.67 1.89 -0.11 0.00 0.71 0.00 0.00 52.55 55.71 1jdr s ASP 140 Cb -0.27 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.22 1jdr s ASP 140 CO 0.32 -2.36 1.11 0.20 0.21 0.00 0.00 175.17 174.64 1jdr s ASN 141 N -3.21 4.34 0.00 0.27 0.01 -1.26 -4.26 114.94 110.83 1jdr s ASN 141 Ca 0.63 1.92 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1jdr s ASN 141 Cb -0.19 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1jdr s ASN 141 CO 0.57 -2.14 0.00 0.61 -1.51 0.00 0.00 177.10 174.62 1jdr n GLY 142 N -0.85 0.83 0.02 0.66 0.00 -1.26 -4.98 105.19 99.61 1jdr n GLY 142 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1jdr n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdr n ARG 143 N -1.88 0.16 -3.07 1.61 1.74 -1.26 -4.91 116.66 109.05 1jdr n ARG 143 Ca 0.00 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 1jdr n ARG 143 Cb 0.00 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 1jdr n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jdr s LEU 144 N -3.51 3.92 0.48 0.55 1.43 -1.26 -4.74 118.68 115.55 1jdr s LEU 144 Ca 0.06 0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 53.87 1jdr s LEU 144 Cb 0.15 -3.77 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 1jdr s LEU 144 CO 0.79 -0.32 1.07 -2.16 0.23 0.00 0.00 176.35 175.96 1jdr s PRO 145 N -3.79 3.80 0.38 1.29 0.04 -1.26 -5.07 135.00 130.39 1jdr s PRO 145 Ca 0.47 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1jdr s PRO 145 Cb -0.10 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1jdr s PRO 145 CO 0.32 -0.45 0.80 -0.51 0.04 0.00 0.00 177.00 177.20 1jdr s ASP 146 N -1.81 6.72 -0.01 6.66 1.01 -1.26 -5.01 116.67 122.97 1jdr s ASP 146 Ca 0.66 1.33 0.21 0.00 0.71 0.00 0.00 52.55 55.46 1jdr s ASP 146 Cb -0.20 -2.40 -0.26 0.00 1.01 0.00 0.00 42.92 41.08 1jdr s ASP 146 CO 0.24 -0.32 0.78 0.00 0.21 0.00 0.00 175.17 176.08 1jdr n ALA 147 N -0.78 4.22 -0.39 5.23 0.00 -1.26 -4.39 120.51 123.14 1jdr n ALA 147 Ca 0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 1jdr n ALA 147 Cb 0.54 -0.77 0.14 0.00 0.00 0.00 0.00 19.45 19.36 1jdr n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jdr n ASP 148 N -1.71 3.57 -4.87 0.00 5.75 -1.26 -2.65 116.55 115.38 1jdr n ASP 148 Ca 0.02 -2.96 -0.29 0.00 -0.01 0.00 0.00 54.79 51.54 1jdr n ASP 148 Cb 0.40 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1jdr n ASP 148 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jdr s LYS 149 N -2.11 2.23 0.42 0.11 -0.14 -1.26 -4.97 119.74 114.03 1jdr s LYS 149 Ca 0.36 -2.21 0.05 0.00 -1.36 0.00 0.00 55.97 52.81 1jdr s LYS 149 Cb 0.30 -1.87 0.05 0.00 -1.68 0.00 0.00 37.83 34.63 1jdr s LYS 149 CO 0.08 -0.58 0.40 -0.40 -0.76 0.00 0.00 175.35 174.09 1jdr n ASP 150 N -1.62 2.11 -0.34 2.83 3.85 -1.26 -3.35 116.55 118.76 1jdr n ASP 150 Ca -0.09 -2.35 0.07 0.00 -0.71 0.00 0.00 54.79 51.70 1jdr n ASP 150 Cb 0.65 -0.12 0.23 0.00 -1.35 0.00 0.00 41.12 40.53 1jdr n ASP 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jdr h ALA 151 N 0.55 1.43 -0.42 2.12 0.00 -1.89 -1.40 119.26 119.64 1jdr h ALA 151 Ca -0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jdr h ALA 151 Cb 0.96 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1jdr h ALA 151 CO 0.38 0.15 0.27 -0.44 0.00 0.00 0.00 179.25 179.60 1jdr h ASP 152 N 0.90 0.50 -0.09 0.00 3.32 -1.96 0.24 116.42 119.33 1jdr h ASP 152 Ca 0.48 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 1jdr h ASP 152 Cb 0.51 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1jdr h ASP 152 CO -0.28 0.39 0.05 0.22 -1.72 0.00 0.00 179.24 177.90 1jdr h TYR 153 N 0.57 0.13 -0.17 4.55 3.20 -1.69 -1.25 116.97 122.30 1jdr h TYR 153 Ca 0.15 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1jdr h TYR 153 Cb -0.03 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1jdr h TYR 153 CO -0.04 0.17 0.02 0.28 -1.64 0.00 0.00 178.16 176.95 1jdr h VAL 154 N 0.05 0.90 -0.19 1.81 2.07 -1.07 0.19 116.25 120.01 1jdr h VAL 154 Ca 0.03 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1jdr h VAL 154 Cb 0.09 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1jdr h VAL 154 CO -0.00 0.02 0.06 -0.09 0.02 0.00 0.00 177.57 177.57 1jdr h ARG 155 N 0.08 0.14 -0.40 1.57 2.43 -0.83 -1.43 114.38 115.95 1jdr h ARG 155 Ca 0.08 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1jdr h ARG 155 Cb 0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jdr h ARG 155 CO -0.12 0.09 0.13 1.15 -1.51 0.00 0.00 179.97 179.72 1jdr h THR 156 N 0.14 1.21 -0.22 0.20 2.02 -1.02 -2.88 112.91 112.37 1jdr h THR 156 Ca 0.08 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.62 1jdr h THR 156 Cb 0.06 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1jdr h THR 156 CO -0.10 0.24 -0.06 0.15 0.37 0.00 0.00 175.52 176.13 1jdr h PHE 157 N 0.50 -0.13 0.00 3.16 3.57 -0.30 -2.25 116.94 121.48 1jdr h PHE 157 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1jdr h PHE 157 Cb 0.24 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1jdr h PHE 157 CO 0.01 -0.10 0.00 1.19 -2.23 0.00 0.00 178.31 177.17 1jdr n PHE 158 N -5.22 0.81 0.22 0.41 3.01 -0.57 -2.24 117.46 113.89 1jdr n PHE 158 Ca -0.02 0.33 0.08 0.00 1.01 0.00 0.00 57.45 58.85 1jdr n PHE 158 Cb 0.14 -1.03 0.51 0.00 -0.01 0.00 0.00 39.48 39.09 1jdr n PHE 158 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1jdr h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.18 -1.35 115.11 115.70 1jdr h GLN 159 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1jdr h GLN 159 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1jdr h GLN 159 CO 0.00 0.25 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.07 1jdr h ARG 160 N 0.00 0.00 -0.63 1.46 2.43 -1.55 -1.28 114.38 114.81 1jdr h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jdr h ARG 160 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1jdr h ARG 160 CO 0.03 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 1jdr n LEU 161 N -3.70 3.47 -3.73 3.80 4.77 -0.75 -1.92 117.00 118.95 1jdr n LEU 161 Ca -0.01 -1.74 -0.27 0.00 -0.03 0.00 0.00 56.01 53.96 1jdr n LEU 161 Cb 0.36 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1jdr n LEU 161 CO 0.34 0.83 0.20 -3.20 -1.33 0.00 0.00 177.39 174.23 1jdr n ASN 162 N 1.30 -5.79 -4.53 -1.43 5.15 -0.48 -5.00 115.26 104.48 1jdr n ASN 162 Ca 0.21 -0.63 -0.34 0.00 -0.60 0.00 0.00 54.58 53.22 1jdr n ASN 162 Cb 0.56 -4.58 -0.12 0.00 -0.53 0.00 0.00 39.78 35.11 1jdr n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1jdr s MET 163 N -6.44 3.26 0.56 1.20 -1.94 -0.58 -5.02 119.30 110.33 1jdr s MET 163 Ca 0.62 -0.54 -0.00 0.00 -1.71 0.00 0.00 55.69 54.06 1jdr s MET 163 Cb -0.29 -2.76 0.11 0.00 2.01 0.00 0.00 34.83 33.90 1jdr s MET 163 CO 0.77 0.43 0.76 0.27 -0.01 0.00 0.00 175.02 177.24 1jdr n ASN 164 N 2.94 1.02 -0.10 3.03 0.23 -1.26 -4.14 115.26 116.98 1jdr n ASN 164 Ca -0.18 -1.86 -0.06 0.00 -0.53 0.00 0.00 54.58 51.96 1jdr n ASN 164 Cb 0.53 -0.50 0.01 0.00 -2.08 0.00 0.00 39.78 37.74 1jdr n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jdr h ASP 165 N -0.47 -0.40 -0.43 0.53 5.19 -1.99 -0.83 116.42 118.02 1jdr h ASP 165 Ca -0.25 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1jdr h ASP 165 Cb 0.93 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1jdr h ASP 165 CO 0.27 -0.14 0.27 0.03 -3.12 0.00 0.00 179.24 176.55 1jdr h ARG 166 N -0.03 0.58 -0.83 3.56 3.08 -1.96 -1.41 114.38 117.36 1jdr h ARG 166 Ca 0.17 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1jdr h ARG 166 Cb 0.30 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1jdr h ARG 166 CO -0.38 0.41 0.41 0.93 -1.07 0.00 0.00 179.97 180.26 1jdr h GLU 167 N 0.58 1.19 -0.00 0.04 5.08 -1.83 -0.94 114.58 118.69 1jdr h GLU 167 Ca 0.16 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jdr h GLU 167 Cb -0.03 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 1jdr h GLU 167 CO -0.03 0.90 0.00 0.28 -1.00 0.00 0.00 179.01 179.16 1jdr h VAL 168 N 1.18 1.20 -0.91 3.13 2.07 -0.84 -0.18 116.25 121.89 1jdr h VAL 168 Ca 0.29 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1jdr h VAL 168 Cb 0.10 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1jdr h VAL 168 CO -0.04 0.15 0.52 0.58 0.02 0.00 0.00 177.57 178.80 1jdr h VAL 169 N -0.25 1.26 -0.15 2.57 2.07 -1.09 -0.85 116.25 119.80 1jdr h VAL 169 Ca 0.00 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1jdr h VAL 169 Cb 0.25 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1jdr h VAL 169 CO 0.00 0.28 0.02 0.00 0.02 0.00 0.00 177.57 177.90 1jdr h ALA 170 N 1.30 0.21 -0.96 1.67 0.00 -1.06 -3.00 119.26 117.41 1jdr h ALA 170 Ca 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jdr h ALA 170 Cb -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1jdr h ALA 170 CO -0.05 -0.13 0.63 -0.07 0.00 0.00 0.00 179.25 179.62 1jdr h LEU 171 N 0.04 1.10 -2.45 0.00 3.38 -0.74 -1.57 115.31 115.06 1jdr h LEU 171 Ca 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jdr h LEU 171 Cb 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jdr h LEU 171 CO 0.00 0.80 -0.02 -0.03 0.09 0.00 0.00 178.44 179.28 1jdr h MET 172 N 1.30 0.00 0.00 1.13 4.05 -1.05 -1.63 114.93 118.73 1jdr h MET 172 Ca 0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1jdr h MET 172 Cb -0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.66 1jdr h MET 172 CO -0.07 0.02 0.02 0.78 0.23 0.00 0.00 176.91 177.88 1jdr h GLY 173 N 0.51 0.00 2.00 1.39 0.00 -1.15 -0.50 103.07 105.32 1jdr h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jdr h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1jdr h ALA 174 N 1.96 1.00 0.00 3.60 0.00 -1.45 -0.69 119.26 123.68 1jdr h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jdr h ALA 174 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jdr h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1jdr n HIS 175 N -2.38 0.00 0.79 0.00 8.25 -0.20 -1.35 115.22 120.34 1jdr n HIS 175 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1jdr n HIS 175 Cb 0.09 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.64 1jdr n HIS 175 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1jdr n THR 176 N -0.97 0.55 -4.20 1.59 5.66 -0.27 -4.44 114.28 112.21 1jdr n THR 176 Ca 0.11 0.14 -0.29 0.00 -3.05 0.00 0.00 64.05 60.95 1jdr n THR 176 Cb 0.05 -0.82 -0.09 0.00 -1.55 0.00 0.00 70.33 67.92 1jdr n THR 176 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1jdr s LEU 177 N -2.77 3.15 0.00 1.09 1.43 -0.45 -4.36 118.68 116.77 1jdr s LEU 177 Ca 0.14 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1jdr s LEU 177 Cb 0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1jdr s LEU 177 CO 0.32 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.67 1jdr n GLY 178 N 0.59 1.13 3.77 -3.19 0.00 0.17 -4.88 105.19 102.77 1jdr n GLY 178 Ca -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1jdr n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdr s LYS 179 N 0.00 1.24 0.08 1.61 -2.85 -1.26 -4.17 119.74 114.38 1jdr s LYS 179 Ca 0.00 -0.69 -0.13 0.00 -1.00 0.00 0.00 55.97 54.15 1jdr s LYS 179 Cb 0.00 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.13 1jdr s LYS 179 CO 0.00 -0.57 0.46 0.95 0.10 0.00 0.00 175.35 176.30 1jdr s THR 180 N -3.27 4.98 -0.18 3.79 -4.23 0.16 -4.95 115.64 111.93 1jdr s THR 180 Ca 0.13 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1jdr s THR 180 Cb -0.02 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1jdr s THR 180 CO 0.03 0.36 -0.20 -1.00 -0.54 0.00 0.00 174.62 173.27 1jdr s HIS 181 N -1.33 2.78 0.26 3.99 0.09 -1.03 -2.03 115.29 118.01 1jdr s HIS 181 Ca 0.32 -1.61 -0.04 0.00 -0.00 0.00 0.00 55.06 53.74 1jdr s HIS 181 Cb -0.15 -1.92 0.52 0.00 -0.00 0.00 0.00 32.58 31.03 1jdr s HIS 181 CO 0.17 -0.79 1.67 1.25 -0.00 0.00 0.00 174.74 177.04 1jdr h LEU 182 N 7.91 -0.05 -1.84 0.89 5.85 -1.28 0.12 115.31 126.91 1jdr h LEU 182 Ca -0.45 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1jdr h LEU 182 Cb 1.14 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1jdr h LEU 182 CO 0.63 -0.09 -0.11 0.50 -0.34 0.00 0.00 178.44 179.04 1jdr h LYS 183 N 0.23 0.00 0.00 1.25 1.63 -1.96 0.76 116.57 118.48 1jdr h LYS 183 Ca 0.45 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 60.12 1jdr h LYS 183 Cb 0.81 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 1jdr h LYS 183 CO -0.57 0.11 -0.74 -0.91 -3.45 0.00 0.00 179.45 173.89 1jdr h ASN 184 N 0.00 0.00 0.00 4.20 2.35 -1.11 -3.44 115.58 117.58 1jdr h ASN 184 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1jdr h ASN 184 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1jdr h ASN 184 CO 0.01 1.26 0.00 -1.54 -1.65 0.00 0.00 177.43 175.52 1jdr n SER 185 N -4.51 0.15 0.00 5.81 3.41 -0.71 -4.69 113.62 113.09 1jdr n SER 185 Ca -0.22 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1jdr n SER 185 Cb 0.58 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1jdr n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jdr n GLY 186 N 0.72 0.61 3.08 5.00 0.00 0.26 -5.02 105.19 109.83 1jdr n GLY 186 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 1jdr n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jdr s TYR 187 N -2.00 0.85 -0.03 1.61 2.02 -1.26 -4.65 117.35 113.90 1jdr s TYR 187 Ca 0.00 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1jdr s TYR 187 Cb 0.00 -0.51 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 1jdr s TYR 187 CO 0.00 -0.02 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.94 1jdr s GLU 188 N -1.16 0.47 0.00 -0.62 2.56 -1.26 -0.71 118.70 117.98 1jdr s GLU 188 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.97 54.91 1jdr s GLU 188 Cb -0.08 -0.55 0.00 0.00 2.00 0.00 0.00 34.13 35.50 1jdr s GLU 188 CO 0.01 -0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 1jdr n GLY 189 N 3.86 3.54 3.90 -1.50 0.00 -0.86 -4.90 105.19 109.22 1jdr n GLY 189 Ca -0.24 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1jdr n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jdr s PRO 190 N -3.10 3.63 0.08 1.61 0.04 -1.26 -0.67 135.00 135.32 1jdr s PRO 190 Ca 0.00 -0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.05 1jdr s PRO 190 Cb 0.00 -2.75 -0.22 0.00 0.04 0.00 0.00 34.50 31.56 1jdr s PRO 190 CO 0.00 0.35 1.11 -1.49 0.04 0.00 0.00 177.00 177.02 1jdr h TRP 191 N 2.27 0.07 -3.94 0.56 6.55 -1.73 -0.12 115.95 119.61 1jdr h TRP 191 Ca -0.47 -0.05 -0.20 0.00 0.95 0.00 0.00 58.89 59.12 1jdr h TRP 191 Cb 1.18 -0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.32 1jdr h TRP 191 CO 0.59 1.05 -0.69 0.95 -1.05 0.00 0.00 178.44 179.28 1jdr s THR 192 N -2.68 0.54 0.07 1.49 -4.23 -1.26 -4.57 115.64 105.01 1jdr s THR 192 Ca -0.01 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1jdr s THR 192 Cb 0.09 -1.56 -0.20 0.00 1.34 0.00 0.00 72.50 72.17 1jdr s THR 192 CO 0.83 -0.88 1.23 0.00 -0.54 0.00 0.00 174.62 175.26 1jdr h ALA 193 N 3.12 0.20 -0.84 3.99 0.00 -1.93 -3.32 119.26 120.48 1jdr h ALA 193 Ca -0.35 -0.63 -0.75 0.00 0.00 0.00 0.00 54.91 53.18 1jdr h ALA 193 Cb 1.16 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1jdr h ALA 193 CO 0.64 0.62 1.84 0.27 0.00 0.00 0.00 179.25 182.61 1jdr n ASN 194 N -3.97 7.75 -0.08 0.00 6.94 -1.26 -4.82 115.26 119.82 1jdr n ASN 194 Ca -0.09 -3.34 0.00 0.00 -0.02 0.00 0.00 54.58 51.13 1jdr n ASN 194 Cb 0.78 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 1jdr n ASN 194 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1jdr n ASN 195 N 1.04 0.08 -0.21 0.53 6.94 -1.25 -1.70 115.26 120.69 1jdr n ASN 195 Ca 0.57 -1.03 0.06 0.00 -0.02 0.00 0.00 54.58 54.16 1jdr n ASN 195 Cb 0.26 -0.04 0.09 0.00 -2.36 0.00 0.00 39.78 37.73 1jdr n ASN 195 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1jdr n ASN 196 N -0.38 1.52 -4.09 0.53 0.23 -1.26 -0.65 115.26 111.15 1jdr n ASN 196 Ca 0.00 -2.67 -0.32 0.00 -0.53 0.00 0.00 54.58 51.06 1jdr n ASN 196 Cb 0.02 -0.34 -0.16 0.00 -2.08 0.00 0.00 39.78 37.22 1jdr n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jdr s VAL 197 N -1.82 1.88 -0.55 3.53 1.01 -0.69 -4.72 120.40 119.03 1jdr s VAL 197 Ca 0.20 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 1jdr s VAL 197 Cb 0.18 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1jdr s VAL 197 CO 0.02 0.51 1.07 0.12 0.00 0.00 0.00 175.10 176.82 1jdr s PHE 198 N 1.26 2.73 0.12 5.22 5.36 0.22 -4.75 117.98 128.14 1jdr s PHE 198 Ca 0.02 0.28 -0.00 0.00 -0.96 0.00 0.00 56.93 56.28 1jdr s PHE 198 Cb -0.13 -4.29 0.00 0.00 -0.34 0.00 0.00 43.02 38.26 1jdr s PHE 198 CO -0.10 -1.42 0.16 -0.40 -1.46 0.00 0.00 175.22 172.00 1jdr n ASP 199 N 7.90 -0.44 -1.32 6.13 5.75 -1.26 -4.25 116.55 129.05 1jdr n ASP 199 Ca 0.06 -1.66 0.04 0.00 -0.01 0.00 0.00 54.79 53.22 1jdr n ASP 199 Cb 0.48 0.83 0.23 0.00 -1.03 0.00 0.00 41.12 41.64 1jdr n ASP 199 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1jdr n ASN 200 N -2.04 3.76 0.19 -1.12 2.04 -1.26 -4.48 115.26 112.35 1jdr n ASN 200 Ca 0.01 -2.55 0.10 0.00 -0.44 0.00 0.00 54.58 51.69 1jdr n ASN 200 Cb 0.20 -0.61 0.63 0.00 -2.53 0.00 0.00 39.78 37.47 1jdr n ASN 200 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1jdr h SER 201 N 2.29 0.05 -0.61 0.53 0.02 -1.94 -2.27 113.55 111.61 1jdr h SER 201 Ca 0.01 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1jdr h SER 201 Cb 1.38 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.85 1jdr h SER 201 CO 0.30 0.03 0.30 0.15 -1.14 0.00 0.00 176.83 176.46 1jdr h PHE 202 N 0.05 0.54 -0.22 3.45 3.57 -1.88 0.84 116.94 123.29 1jdr h PHE 202 Ca 0.06 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1jdr h PHE 202 Cb 0.18 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1jdr h PHE 202 CO -0.00 0.22 -0.18 1.88 -2.23 0.00 0.00 178.31 178.00 1jdr h TYR 203 N 0.54 0.59 -0.71 0.41 -1.99 -1.78 -2.02 116.97 112.02 1jdr h TYR 203 Ca 0.29 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1jdr h TYR 203 Cb 0.26 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 1jdr h TYR 203 CO -0.11 0.83 0.46 -0.07 -0.00 0.00 0.00 178.16 179.26 1jdr h LEU 204 N 0.19 0.83 -0.43 3.88 3.38 -1.25 -1.63 115.31 120.27 1jdr h LEU 204 Ca 0.04 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1jdr h LEU 204 Cb 0.71 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1jdr h LEU 204 CO 0.05 0.62 0.01 0.78 0.09 0.00 0.00 178.44 179.99 1jdr h ASN 205 N 0.96 0.74 -0.78 -0.43 2.35 -0.82 0.14 115.58 117.74 1jdr h ASN 205 Ca 0.26 -0.30 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1jdr h ASN 205 Cb -0.08 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.03 1jdr h ASN 205 CO -0.05 0.85 0.47 0.25 -1.65 0.00 0.00 177.43 177.30 1jdr h LEU 206 N 0.60 0.73 0.17 1.61 5.85 -1.00 -0.71 115.31 122.55 1jdr h LEU 206 Ca 0.12 0.02 -0.31 0.00 0.84 0.00 0.00 57.88 58.55 1jdr h LEU 206 Cb 0.47 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.38 1jdr h LEU 206 CO 0.02 0.47 -1.45 -0.07 -0.34 0.00 0.00 178.44 177.07 1jdr h LEU 207 N 0.86 0.56 0.00 2.25 3.38 -1.10 -3.40 115.31 117.87 1jdr h LEU 207 Ca 0.34 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1jdr h LEU 207 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jdr h LEU 207 CO -0.17 1.53 -1.66 0.59 0.09 0.00 0.00 178.44 178.82 1jdr n ASN 208 N -3.57 0.35 -4.86 -0.43 5.03 0.47 -4.98 115.26 107.27 1jdr n ASN 208 Ca -0.15 0.14 -0.31 0.00 0.87 0.00 0.00 54.58 55.13 1jdr n ASN 208 Cb 1.06 1.26 0.02 0.00 -1.02 0.00 0.00 39.78 41.10 1jdr n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1jdr s GLU 209 N -3.33 3.50 -0.45 3.52 0.41 -0.28 -5.02 118.70 117.04 1jdr s GLU 209 Ca -0.05 0.79 -0.16 0.00 -0.41 0.00 0.00 54.97 55.14 1jdr s GLU 209 Cb 0.11 -2.07 0.05 0.00 -1.78 0.00 0.00 34.13 30.45 1jdr s GLU 209 CO 0.86 -0.65 0.37 -0.51 -0.49 0.00 0.00 175.26 174.84 1jdr s ASP 210 N -4.08 6.14 0.05 -0.19 -0.00 -1.26 -4.97 116.67 112.35 1jdr s ASP 210 Ca 0.56 -1.08 -0.12 0.00 -0.00 0.00 0.00 52.55 51.91 1jdr s ASP 210 Cb -0.12 -2.18 -0.06 0.00 -0.00 0.00 0.00 42.92 40.56 1jdr s ASP 210 CO 0.54 -0.58 0.40 0.26 -0.00 0.00 0.00 175.17 175.79 1jdr s TRP 211 N 1.75 3.64 -0.08 4.23 0.52 -1.26 -4.16 118.94 123.57 1jdr s TRP 211 Ca 0.06 0.87 0.02 0.00 0.02 0.00 0.00 56.10 57.07 1jdr s TRP 211 Cb -0.21 -2.21 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 1jdr s TRP 211 CO 0.09 0.57 -0.15 0.15 0.02 0.00 0.00 176.95 177.63 1jdr s LYS 212 N -1.60 2.05 -0.49 4.98 1.02 0.18 -4.91 119.74 120.97 1jdr s LYS 212 Ca 0.29 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 1jdr s LYS 212 Cb -0.15 -1.68 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1jdr s LYS 212 CO 0.16 0.02 1.32 -1.17 -0.92 0.00 0.00 175.35 174.76 1jdr s LEU 213 N 0.73 3.53 0.38 3.17 2.96 -1.26 -0.78 118.68 127.41 1jdr s LEU 213 Ca -0.13 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 1jdr s LEU 213 Cb -0.16 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1jdr s LEU 213 CO 0.03 -1.47 0.06 -1.61 -1.32 0.00 0.00 176.35 172.04 1jdr s GLU 214 N 4.99 1.83 -0.15 1.98 2.02 -0.24 -4.96 118.70 124.17 1jdr s GLU 214 Ca 0.54 -2.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 1jdr s GLU 214 Cb -0.11 -0.99 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 1jdr s GLU 214 CO 0.30 -0.26 -0.07 0.15 0.02 0.00 0.00 175.26 175.40 1jdr s LYS 215 N -3.82 3.57 0.91 1.61 1.02 -1.26 -0.52 119.74 121.25 1jdr s LYS 215 Ca 0.30 -0.57 -0.11 0.00 0.02 0.00 0.00 55.97 55.60 1jdr s LYS 215 Cb 0.07 -2.82 0.20 0.00 -0.52 0.00 0.00 37.83 34.75 1jdr s LYS 215 CO 0.14 0.24 1.24 0.54 -0.92 0.00 0.00 175.35 176.59 1jdr s ASN 216 N 0.34 3.32 0.24 2.83 2.20 0.00 -4.90 114.94 118.98 1jdr s ASN 216 Ca -0.06 -0.05 0.19 0.00 -0.94 0.00 0.00 52.86 52.00 1jdr s ASN 216 Cb -0.15 -0.02 0.94 0.00 -2.00 0.00 0.00 41.25 40.02 1jdr s ASN 216 CO 0.04 -2.58 1.58 0.47 -2.94 0.00 0.00 177.10 173.67 1jdr n ASP 217 N -3.52 0.49 -0.95 3.54 8.00 -1.26 -0.77 116.55 122.06 1jdr n ASP 217 Ca 0.17 0.69 0.10 0.00 0.71 0.00 0.00 54.79 56.46 1jdr n ASP 217 Cb 0.60 -0.77 0.27 0.00 -0.02 0.00 0.00 41.12 41.20 1jdr n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdr n ALA 218 N -1.73 2.44 -2.23 2.24 0.00 -1.26 -4.93 120.51 115.05 1jdr n ALA 218 Ca -0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 1jdr n ALA 218 Cb 0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1jdr n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jdr n ASN 219 N 1.06 -3.91 -4.52 0.00 4.05 0.05 -5.02 115.26 106.96 1jdr n ASN 219 Ca 0.18 -0.01 -0.32 0.00 0.45 0.00 0.00 54.58 54.88 1jdr n ASN 219 Cb 0.49 -3.12 -0.12 0.00 1.23 0.00 0.00 39.78 38.26 1jdr n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1jdr s ASN 220 N -2.45 4.20 0.20 1.20 0.01 -1.26 -4.87 114.94 111.97 1jdr s ASN 220 Ca 0.00 -0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 51.60 1jdr s ASN 220 Cb 0.00 -0.87 -0.08 0.00 0.41 0.00 0.00 41.25 40.71 1jdr s ASN 220 CO 0.00 0.29 0.94 -1.61 -1.51 0.00 0.00 177.10 175.22 1jdr s GLU 221 N -1.23 4.80 0.01 -0.60 2.02 -1.26 -0.82 118.70 121.62 1jdr s GLU 221 Ca 0.15 1.47 -0.18 0.00 0.02 0.00 0.00 54.97 56.43 1jdr s GLU 221 Cb -0.11 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.84 1jdr s GLU 221 CO 0.05 0.42 0.39 1.14 0.02 0.00 0.00 175.26 177.28 1jdr s GLN 222 N -0.79 0.83 -0.15 1.61 -2.07 0.33 -4.62 119.66 114.78 1jdr s GLN 222 Ca 0.43 -0.23 -0.23 0.00 -1.82 0.00 0.00 55.36 53.51 1jdr s GLN 222 Cb -0.25 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 1jdr s GLN 222 CO 0.31 -0.26 0.71 -1.58 -1.32 0.00 0.00 175.29 173.15 1jdr s TRP 223 N -1.86 3.45 0.07 9.60 0.52 -0.28 -1.08 118.94 129.35 1jdr s TRP 223 Ca -0.09 1.12 0.09 0.00 0.02 0.00 0.00 56.10 57.24 1jdr s TRP 223 Cb -0.02 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1jdr s TRP 223 CO 0.02 -0.12 -0.25 -0.51 0.02 0.00 0.00 176.95 176.11 1jdr s ASP 224 N 1.07 3.31 0.17 2.95 1.01 0.04 -0.52 116.67 124.70 1jdr s ASP 224 Ca 0.34 -0.61 0.10 0.00 0.71 0.00 0.00 52.55 53.09 1jdr s ASP 224 Cb -0.17 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.40 1jdr s ASP 224 CO 0.13 0.24 -0.17 -0.94 0.21 0.00 0.00 175.17 174.64 1jdr s SER 225 N -1.49 3.84 0.49 0.27 1.04 -0.59 -0.65 113.70 116.61 1jdr s SER 225 Ca 0.13 -0.70 0.20 0.00 0.48 0.00 0.00 55.95 56.06 1jdr s SER 225 Cb -0.10 -0.49 1.23 0.00 0.10 0.00 0.00 66.02 66.76 1jdr s SER 225 CO 0.04 0.12 2.00 0.11 0.98 0.00 0.00 173.24 176.49 1jdr h LYS 226 N 3.19 0.17 0.00 4.02 1.57 -1.89 -0.00 116.57 123.62 1jdr h LYS 226 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1jdr h LYS 226 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1jdr h LYS 226 CO 0.50 0.11 0.00 0.43 -0.57 0.00 0.00 179.45 179.92 1jdr n SER 227 N -4.43 0.00 0.00 0.86 7.64 -1.26 -4.85 113.62 111.57 1jdr n SER 227 Ca 0.09 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1jdr n SER 227 Cb 0.47 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1jdr n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdr n GLY 228 N -0.06 0.81 3.96 0.23 0.00 -0.02 -5.06 105.19 105.05 1jdr n GLY 228 Ca 0.05 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1jdr n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jdr s TYR 229 N -2.00 2.97 0.07 1.61 4.12 -1.24 -4.47 117.35 118.41 1jdr s TYR 229 Ca 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 57.07 56.74 1jdr s TYR 229 Cb 0.00 -2.07 -0.02 0.00 -1.52 0.00 0.00 41.96 38.35 1jdr s TYR 229 CO 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 175.55 175.56 1jdr s MET 230 N -4.18 0.74 -0.02 -0.62 0.23 -0.06 -1.54 119.30 113.86 1jdr s MET 230 Ca 0.47 -1.12 -0.01 0.00 -1.03 0.00 0.00 55.69 53.99 1jdr s MET 230 Cb -0.08 0.27 0.01 0.00 -1.53 0.00 0.00 34.83 33.50 1jdr s MET 230 CO 0.30 -0.19 0.05 -1.64 -2.03 0.00 0.00 175.02 171.51 1jdr s MET 231 N -3.90 0.03 0.60 3.16 -1.94 0.32 -4.15 119.30 113.41 1jdr s MET 231 Ca 0.07 0.12 -0.14 0.00 -1.71 0.00 0.00 55.69 54.03 1jdr s MET 231 Cb 0.06 -0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.81 1jdr s MET 231 CO -0.09 -0.06 1.03 -0.51 -0.01 0.00 0.00 175.02 175.38 1jdr s LEU 232 N 0.37 3.39 0.47 -0.03 1.43 -1.26 -1.13 118.68 121.91 1jdr s LEU 232 Ca -0.03 1.62 0.20 0.00 -1.03 0.00 0.00 54.13 54.88 1jdr s LEU 232 Cb -0.04 -4.50 1.19 0.00 0.03 0.00 0.00 46.19 42.86 1jdr s LEU 232 CO -0.01 -1.01 1.94 -0.65 0.23 0.00 0.00 176.35 176.85 1jdr h PRO 233 N 0.13 0.25 -0.05 1.29 0.11 -1.80 0.84 132.00 132.77 1jdr h PRO 233 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1jdr h PRO 233 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1jdr h PRO 233 CO 0.59 0.17 -0.52 1.79 -0.21 0.00 0.00 178.00 179.82 1jdr h THR 234 N 0.26 1.36 -0.10 -1.15 1.35 -1.51 -1.48 112.91 111.64 1jdr h THR 234 Ca 0.34 -1.79 -0.09 0.00 -0.55 0.00 0.00 66.41 64.32 1jdr h THR 234 Cb 0.96 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1jdr h THR 234 CO -0.08 0.52 -0.29 0.44 -0.25 0.00 0.00 175.52 175.87 1jdr h ASP 235 N 0.12 0.43 0.11 5.36 3.32 -1.23 -3.16 116.42 121.37 1jdr h ASP 235 Ca 0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.43 1jdr h ASP 235 Cb 0.96 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1jdr h ASP 235 CO 0.08 0.95 -0.11 0.22 -1.72 0.00 0.00 179.24 178.65 1jdr h TYR 236 N -0.07 0.00 0.00 4.55 5.03 -1.05 -1.68 116.97 123.75 1jdr h TYR 236 Ca -0.01 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1jdr h TYR 236 Cb 0.90 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 1jdr h TYR 236 CO 0.11 0.12 -0.01 0.66 -1.32 0.00 0.00 178.16 177.73 1jdr h SER 237 N 0.00 0.00 0.73 -2.11 4.64 -1.23 -0.48 113.55 115.11 1jdr h SER 237 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1jdr h SER 237 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1jdr h SER 237 CO 0.01 0.01 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.84 1jdr h LEU 238 N 0.00 0.00 -0.08 5.97 3.38 -1.41 -1.66 115.31 121.51 1jdr h LEU 238 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jdr h LEU 238 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jdr h LEU 238 CO 0.00 0.07 -0.78 2.30 0.09 0.00 0.00 178.44 180.12 1jdr n ILE 239 N -3.27 0.00 0.04 1.22 -5.35 -0.21 -1.50 119.36 110.30 1jdr n ILE 239 Ca -0.00 -0.11 -0.15 0.00 -0.27 0.00 0.00 62.75 62.22 1jdr n ILE 239 Cb 0.29 1.02 -0.14 0.00 -1.74 0.00 0.00 39.64 39.07 1jdr n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1jdr h GLN 240 N 0.18 0.19 -6.22 6.28 4.20 -1.24 -3.45 115.11 115.06 1jdr h GLN 240 Ca 0.00 -0.32 -0.55 0.00 0.06 0.00 0.00 58.65 57.84 1jdr h GLN 240 Cb 0.43 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 1jdr h GLN 240 CO 0.00 1.01 0.21 0.34 -0.67 0.00 0.00 178.83 179.72 1jdr s ASP 241 N -6.82 7.17 0.21 1.46 2.15 -0.67 -4.98 116.67 115.20 1jdr s ASP 241 Ca -0.09 1.41 -0.10 0.00 0.43 0.00 0.00 52.55 54.20 1jdr s ASP 241 Cb 0.07 -2.48 0.18 0.00 -0.30 0.00 0.00 42.92 40.39 1jdr s ASP 241 CO 0.84 -0.16 1.85 -0.65 -0.17 0.00 0.00 175.17 176.88 1jdr h PRO 242 N 6.65 0.84 -0.18 4.34 0.11 -1.90 0.52 132.00 142.38 1jdr h PRO 242 Ca -0.41 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1jdr h PRO 242 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1jdr h PRO 242 CO 0.75 0.55 -0.05 0.87 -0.21 0.00 0.00 178.00 179.91 1jdr h LYS 243 N 0.86 0.35 -0.67 1.05 1.57 -1.93 -2.86 116.57 114.94 1jdr h LYS 243 Ca 0.27 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1jdr h LYS 243 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1jdr h LYS 243 CO -0.10 0.62 0.16 1.88 -0.57 0.00 0.00 179.45 181.44 1jdr h TYR 244 N 0.05 1.10 -0.76 -1.35 0.99 -1.75 -3.08 116.97 112.17 1jdr h TYR 244 Ca 0.04 -0.13 0.08 0.00 2.00 0.00 0.00 58.73 60.73 1jdr h TYR 244 Cb 0.50 -0.31 -0.07 0.00 1.00 0.00 0.00 36.73 37.85 1jdr h TYR 244 CO 0.06 0.90 0.42 1.25 -0.00 0.00 0.00 178.16 180.79 1jdr h LEU 245 N 1.01 0.61 -0.86 3.88 5.85 0.22 -0.69 115.31 125.33 1jdr h LEU 245 Ca 0.21 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1jdr h LEU 245 Cb 0.36 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1jdr h LEU 245 CO 0.00 0.36 0.52 0.28 -0.34 0.00 0.00 178.44 179.27 1jdr h SER 246 N 0.74 1.03 -0.25 1.25 0.02 -1.42 -1.63 113.55 113.30 1jdr h SER 246 Ca 0.36 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 1jdr h SER 246 Cb 0.30 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1jdr h SER 246 CO -0.23 0.79 -0.44 0.40 -1.14 0.00 0.00 176.83 176.21 1jdr h ILE 247 N 1.18 1.28 -0.33 3.27 2.04 -1.37 -1.40 117.51 122.17 1jdr h ILE 247 Ca 0.31 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1jdr h ILE 247 Cb -0.06 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1jdr h ILE 247 CO -0.06 0.53 0.20 0.58 0.00 0.00 0.00 178.15 179.40 1jdr h VAL 248 N 0.65 1.05 -0.60 1.67 2.07 -0.87 -0.72 116.25 119.50 1jdr h VAL 248 Ca 0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1jdr h VAL 248 Cb 1.01 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1jdr h VAL 248 CO 0.10 0.07 0.27 0.11 0.02 0.00 0.00 177.57 178.14 1jdr h LYS 249 N 0.41 0.85 -0.34 1.57 1.57 -1.15 -0.29 116.57 119.19 1jdr h LYS 249 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1jdr h LYS 249 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1jdr h LYS 249 CO -0.05 0.67 0.10 1.49 -0.57 0.00 0.00 179.45 181.09 1jdr h GLU 250 N 0.84 0.53 -0.07 3.15 4.81 -0.42 -2.35 114.58 121.07 1jdr h GLU 250 Ca 0.21 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1jdr h GLU 250 Cb 0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1jdr h GLU 250 CO -0.02 0.57 -0.58 1.88 -0.73 0.00 0.00 179.01 180.12 1jdr h TYR 251 N 0.39 0.30 0.00 0.92 0.99 -0.81 -1.85 116.97 116.90 1jdr h TYR 251 Ca 0.11 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1jdr h TYR 251 Cb 0.26 -0.05 -0.00 0.00 1.00 0.00 0.00 36.73 37.94 1jdr h TYR 251 CO 0.01 0.76 -0.10 0.00 -0.00 0.00 0.00 178.16 178.83 1jdr h ALA 252 N 1.21 1.14 -0.23 3.88 0.00 -0.92 -2.89 119.26 121.45 1jdr h ALA 252 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jdr h ALA 252 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1jdr h ALA 252 CO 0.09 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1jdr n ASN 253 N -3.41 2.58 -3.31 0.00 3.02 -0.90 -4.84 115.26 108.40 1jdr n ASN 253 Ca -0.01 -1.82 -0.10 0.00 -0.03 0.00 0.00 54.58 52.62 1jdr n ASN 253 Cb 0.27 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 1jdr n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jdr s ASP 254 N -0.97 0.28 0.19 6.41 -1.08 -0.73 -5.02 116.67 115.74 1jdr s ASP 254 Ca 0.20 -1.00 -0.13 0.00 -0.52 0.00 0.00 52.55 51.10 1jdr s ASP 254 Cb 0.11 1.07 0.10 0.00 -1.46 0.00 0.00 42.92 42.74 1jdr s ASP 254 CO 0.15 -0.27 1.85 1.56 0.52 0.00 0.00 175.17 178.98 1jdr h GLN 255 N 7.41 0.79 -0.58 4.34 4.20 -1.88 -2.39 115.11 127.00 1jdr h GLN 255 Ca 0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1jdr h GLN 255 Cb 1.11 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1jdr h GLN 255 CO 0.20 0.52 0.18 0.22 -0.67 0.00 0.00 178.83 179.28 1jdr h ASP 256 N 0.81 0.86 -0.56 1.46 3.58 -1.95 -1.41 116.42 119.21 1jdr h ASP 256 Ca 0.22 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1jdr h ASP 256 Cb -0.09 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 1jdr h ASP 256 CO -0.05 0.84 0.32 0.50 -2.88 0.00 0.00 179.24 177.97 1jdr h LYS 257 N 0.83 0.76 -0.31 0.28 1.63 -1.89 -0.82 116.57 117.05 1jdr h LYS 257 Ca 0.19 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1jdr h LYS 257 Cb 0.30 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1jdr h LYS 257 CO -0.00 0.57 0.20 0.35 -3.45 0.00 0.00 179.45 177.11 1jdr h PHE 258 N 0.75 0.39 -0.31 1.91 3.57 -1.21 -0.18 116.94 121.86 1jdr h PHE 258 Ca 0.20 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1jdr h PHE 258 Cb 0.01 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1jdr h PHE 258 CO -0.02 0.26 0.08 0.74 -2.23 0.00 0.00 178.31 177.14 1jdr h PHE 259 N 0.41 0.14 -0.46 0.41 0.05 -0.76 0.25 116.94 116.98 1jdr h PHE 259 Ca 0.11 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.86 1jdr h PHE 259 Cb -0.04 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 1jdr h PHE 259 CO -0.05 0.05 0.04 0.87 -0.18 0.00 0.00 178.31 179.04 1jdr h LYS 260 N 0.20 0.78 -0.36 1.51 1.57 -0.96 -0.86 116.57 118.44 1jdr h LYS 260 Ca 0.14 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1jdr h LYS 260 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1jdr h LYS 260 CO -0.17 0.82 -0.33 -0.44 -0.57 0.00 0.00 179.45 178.75 1jdr h ASP 261 N 0.64 0.85 -0.32 0.86 5.19 -0.76 -2.42 116.42 120.46 1jdr h ASP 261 Ca 0.14 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.13 1jdr h ASP 261 Cb 0.43 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1jdr h ASP 261 CO 0.01 1.11 -0.04 0.15 -3.12 0.00 0.00 179.24 177.35 1jdr h PHE 262 N 0.68 0.66 -0.41 4.55 3.57 -0.40 -1.56 116.94 124.02 1jdr h PHE 262 Ca 0.07 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1jdr h PHE 262 Cb 0.88 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1jdr h PHE 262 CO 0.05 0.74 0.08 1.03 -2.23 0.00 0.00 178.31 177.98 1jdr h SER 263 N 0.38 0.01 0.02 0.41 0.87 -1.06 0.18 113.55 114.35 1jdr h SER 263 Ca 0.09 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1jdr h SER 263 Cb 0.51 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1jdr h SER 263 CO 0.02 0.04 -0.01 0.11 -0.53 0.00 0.00 176.83 176.46 1jdr h LYS 264 N 0.21 -0.03 -0.55 2.24 1.57 -1.35 -2.04 116.57 116.62 1jdr h LYS 264 Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1jdr h LYS 264 Cb 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1jdr h LYS 264 CO -0.26 0.17 0.17 0.00 -0.57 0.00 0.00 179.45 178.96 1jdr h ALA 265 N 0.76 1.27 -0.30 3.86 0.00 -0.98 -0.89 119.26 122.98 1jdr h ALA 265 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1jdr h ALA 265 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jdr h ALA 265 CO 0.00 0.52 -0.40 0.35 0.00 0.00 0.00 179.25 179.73 1jdr h PHE 266 N 0.80 0.98 -0.51 0.00 -0.00 -0.64 -0.29 116.94 117.27 1jdr h PHE 266 Ca 0.18 -0.32 -0.05 0.00 -0.00 0.00 0.00 57.97 57.79 1jdr h PHE 266 Cb 0.23 -0.20 -0.02 0.00 -0.00 0.00 0.00 35.95 35.96 1jdr h PHE 266 CO 0.01 1.11 0.13 1.49 -0.00 0.00 0.00 178.31 181.06 1jdr h GLU 267 N 0.56 0.82 -0.29 1.11 4.81 -1.13 -1.11 114.58 119.36 1jdr h GLU 267 Ca 0.03 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1jdr h GLU 267 Cb 0.99 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1jdr h GLU 267 CO 0.09 0.78 0.15 -0.22 -0.73 0.00 0.00 179.01 179.08 1jdr h LYS 268 N 0.71 0.30 -0.28 1.92 3.64 -1.05 -0.81 116.57 121.01 1jdr h LYS 268 Ca 0.16 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1jdr h LYS 268 Cb 0.33 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1jdr h LYS 268 CO 0.00 0.20 -0.05 1.25 -2.27 0.00 0.00 179.45 178.58 1jdr h LEU 269 N 0.31 -0.21 -0.66 5.20 5.85 -0.79 -0.05 115.31 124.95 1jdr h LEU 269 Ca 0.12 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1jdr h LEU 269 Cb 0.03 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1jdr h LEU 269 CO -0.08 -0.07 0.00 0.18 -0.34 0.00 0.00 178.44 178.13 1jdr n LEU 270 N -5.22 0.62 -0.20 2.25 4.32 -0.44 -3.11 117.00 115.21 1jdr n LEU 270 Ca -0.00 0.66 0.06 0.00 -0.02 0.00 0.00 56.01 56.70 1jdr n LEU 270 Cb 0.16 -0.58 -0.02 0.00 -1.62 0.00 0.00 43.42 41.36 1jdr n LEU 270 CO 0.21 -0.55 0.16 -0.62 -1.22 0.00 0.00 177.39 175.38 1jdr n GLU 271 N -2.19 2.28 -1.65 3.23 1.02 -0.35 -4.70 120.64 118.29 1jdr n GLU 271 Ca 0.02 -0.49 -0.46 0.00 -0.02 0.00 0.00 57.16 56.21 1jdr n GLU 271 Cb 0.22 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.49 1jdr n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jdr n ASN 272 N -0.49 2.41 0.00 1.62 3.02 -0.14 -1.84 115.26 119.84 1jdr n ASN 272 Ca 0.04 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1jdr n ASN 272 Cb 0.23 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1jdr n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdr n GLY 273 N 2.12 1.71 3.71 7.41 0.00 -1.26 -4.41 105.19 114.46 1jdr n GLY 273 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1jdr n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdr s ILE 274 N -2.85 5.22 -0.30 -0.61 1.01 -0.76 -4.09 121.20 118.82 1jdr s ILE 274 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1jdr s ILE 274 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1jdr s ILE 274 CO 0.00 0.46 0.27 -0.89 0.00 0.00 0.00 174.94 174.78 1jdr s THR 275 N 0.26 5.25 -0.31 2.92 2.01 0.13 -4.95 115.64 120.95 1jdr s THR 275 Ca 0.07 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 1jdr s THR 275 Cb -0.11 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1jdr s THR 275 CO -0.01 0.11 0.29 -0.36 -0.69 0.00 0.00 174.62 173.97 1jdr s PHE 276 N 1.87 3.22 0.71 4.92 0.08 -1.26 -0.63 117.98 126.89 1jdr s PHE 276 Ca 0.09 0.06 -0.16 0.00 0.12 0.00 0.00 56.93 57.04 1jdr s PHE 276 Cb -0.16 -2.53 0.01 0.00 -0.57 0.00 0.00 43.02 39.77 1jdr s PHE 276 CO 0.11 -0.30 1.09 -2.30 -0.10 0.00 0.00 175.22 173.72 1jdr n PRO 277 N 5.22 0.63 0.29 0.24 -0.02 -1.26 -4.88 135.00 135.23 1jdr n PRO 277 Ca -0.11 0.27 0.16 0.00 -2.02 0.00 0.00 63.50 61.80 1jdr n PRO 277 Cb 0.50 -2.34 0.89 0.00 -0.02 0.00 0.00 33.50 32.54 1jdr n PRO 277 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jdr h LYS 278 N -0.12 0.00 -0.01 -0.52 6.56 -2.01 -0.70 116.57 119.77 1jdr h LYS 278 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1jdr h LYS 278 Cb 1.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 1jdr h LYS 278 CO 0.49 0.05 -0.18 -0.40 -2.06 0.00 0.00 179.45 177.34 1jdr n ASP 279 N -3.55 1.27 -4.75 0.86 5.75 -1.26 -4.95 116.55 109.93 1jdr n ASP 279 Ca -0.02 -1.14 -0.37 0.00 -0.01 0.00 0.00 54.79 53.25 1jdr n ASP 279 Cb 0.16 0.11 0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1jdr n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jdr s ALA 280 N -2.33 2.59 0.77 2.12 0.00 -0.27 -4.98 121.76 119.65 1jdr s ALA 280 Ca 0.28 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 1jdr s ALA 280 Cb 0.20 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1jdr s ALA 280 CO 0.46 -1.33 1.15 -1.25 0.00 0.00 0.00 175.76 174.79 1jdr s PRO 281 N -3.20 2.01 0.85 0.00 0.04 -1.26 -4.99 135.00 128.45 1jdr s PRO 281 Ca 0.77 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 1jdr s PRO 281 Cb -0.35 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.45 1jdr s PRO 281 CO 0.39 -1.89 1.10 -1.12 0.04 0.00 0.00 177.00 175.52 1jdr s SER 282 N -2.53 3.76 0.40 6.66 0.01 -1.26 -4.95 113.70 115.80 1jdr s SER 282 Ca 0.69 1.78 -0.27 0.00 1.31 0.00 0.00 55.95 59.45 1jdr s SER 282 Cb -0.24 -2.42 -0.10 0.00 0.21 0.00 0.00 66.02 63.47 1jdr s SER 282 CO 0.50 -2.50 1.48 -2.84 0.41 0.00 0.00 173.24 170.28 1jdr s PRO 283 N -4.85 3.97 0.12 12.44 0.02 -1.26 -4.93 135.00 140.50 1jdr s PRO 283 Ca 0.63 2.54 -0.19 0.00 0.02 0.00 0.00 61.00 64.00 1jdr s PRO 283 Cb -0.19 -2.87 -0.07 0.00 0.02 0.00 0.00 34.50 31.39 1jdr s PRO 283 CO 0.57 -0.64 0.62 -0.06 -0.33 0.00 0.00 177.00 177.16 1jdr s PHE 284 N -1.14 3.77 -0.33 6.54 2.99 0.13 -4.77 117.98 125.17 1jdr s PHE 284 Ca 0.55 1.31 0.04 0.00 0.00 0.00 0.00 56.93 58.83 1jdr s PHE 284 Cb -0.46 -2.53 0.09 0.00 0.00 0.00 0.00 43.02 40.12 1jdr s PHE 284 CO 0.62 0.52 0.03 0.42 -0.00 0.00 0.00 175.22 176.80 1jdr s ILE 285 N -1.24 2.19 0.34 0.64 1.01 -1.26 -0.58 121.20 122.31 1jdr s ILE 285 Ca 0.33 -2.19 -0.26 0.00 0.00 0.00 0.00 60.65 58.53 1jdr s ILE 285 Cb -0.19 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 1jdr s ILE 285 CO 0.20 -0.51 1.02 -0.36 0.00 0.00 0.00 174.94 175.29 1jdr s PHE 286 N 0.97 3.51 0.25 3.97 0.08 -1.26 -5.05 117.98 120.45 1jdr s PHE 286 Ca 0.08 1.72 -0.23 0.00 0.12 0.00 0.00 56.93 58.62 1jdr s PHE 286 Cb -0.19 -3.09 -0.09 0.00 -0.57 0.00 0.00 43.02 39.08 1jdr s PHE 286 CO -0.08 -0.30 0.81 0.15 -0.10 0.00 0.00 175.22 175.70 1jdr s LYS 287 N -2.05 4.41 0.78 0.44 1.02 -1.26 -4.98 119.74 118.09 1jdr s LYS 287 Ca 0.52 1.07 -0.12 0.00 0.02 0.00 0.00 55.97 57.46 1jdr s LYS 287 Cb -0.23 -2.89 0.06 0.00 -0.52 0.00 0.00 37.83 34.24 1jdr s LYS 287 CO 0.30 0.37 1.10 0.95 -0.92 0.00 0.00 175.35 177.15 1jdr s THR 288 N -1.52 3.09 0.21 2.17 -4.23 -1.26 -4.88 115.64 109.22 1jdr s THR 288 Ca 0.45 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 61.22 1jdr s THR 288 Cb -0.18 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.64 1jdr s THR 288 CO 0.23 -0.46 1.81 -0.07 -0.54 0.00 0.00 174.62 175.59 1jdr h LEU 289 N -1.00 0.58 -0.62 4.79 4.07 -1.97 -1.47 115.31 119.69 1jdr h LEU 289 Ca -0.47 0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.56 1jdr h LEU 289 Cb 1.27 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.87 1jdr h LEU 289 CO 0.61 0.38 0.36 -0.08 -1.08 0.00 0.00 178.44 178.62 1jdr h GLU 290 N 0.72 0.67 0.00 1.13 4.81 -1.93 0.44 114.58 120.41 1jdr h GLU 290 Ca 0.30 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1jdr h GLU 290 Cb 0.17 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1jdr h GLU 290 CO -0.17 0.44 -0.30 0.93 -0.73 0.00 0.00 179.01 179.18 1jdr h GLU 291 N 0.69 0.00 -0.00 1.92 5.08 -1.68 -2.11 114.58 118.46 1jdr h GLU 291 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1jdr h GLU 291 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1jdr h GLU 291 CO -0.14 0.30 -0.25 1.04 -1.00 0.00 0.00 179.01 178.96 1jdr n GLN 292 N -3.99 0.51 -1.59 2.33 6.02 -0.46 -4.92 117.38 115.28 1jdr n GLN 292 Ca -0.02 -0.25 -0.09 0.00 -0.01 0.00 0.00 57.00 56.63 1jdr n GLN 292 Cb 0.37 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1jdr n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdr n GLY 293 N 1.38 0.71 0.91 1.08 0.00 -0.02 -5.07 105.19 104.18 1jdr n GLY 293 Ca 0.11 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1jdr n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36