#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a53 s ARG 3 N 0.00 2.06 0.08 -0.52 0.52 0.09 -4.73 118.95 116.45 1a53 s ARG 3 Ca 0.00 -0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 1a53 s ARG 3 Cb 0.00 -2.07 -0.08 0.00 0.52 0.00 0.00 34.95 33.32 1a53 s ARG 3 CO 0.00 -1.42 1.51 -0.47 0.02 0.00 0.00 175.30 174.94 1a53 s TYR 4 N -3.40 2.85 0.08 -0.53 5.04 -1.26 -4.98 117.35 115.14 1a53 s TYR 4 Ca 0.61 0.66 0.03 0.00 -2.44 0.00 0.00 57.07 55.93 1a53 s TYR 4 Cb -0.11 -3.81 -0.03 0.00 0.35 0.00 0.00 41.96 38.36 1a53 s TYR 4 CO 0.47 -3.04 -0.09 -0.51 -1.34 0.00 0.00 175.55 171.04 1a53 s LEU 5 N 1.94 2.37 0.31 6.97 1.43 -1.26 -5.09 118.68 125.35 1a53 s LEU 5 Ca 0.68 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1a53 s LEU 5 Cb -0.37 -0.22 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1a53 s LEU 5 CO 0.30 -0.27 0.02 -0.54 0.23 0.00 0.00 176.35 176.09 1a53 s LYS 6 N -2.51 1.62 3.62 1.70 1.02 -1.26 -4.68 119.74 119.25 1a53 s LYS 6 Ca 0.01 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.13 1a53 s LYS 6 Cb -0.04 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1a53 s LYS 6 CO -0.01 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1a53 n GLY 7 N -0.66 1.01 0.30 -3.33 0.00 -1.26 -3.03 105.19 98.22 1a53 n GLY 7 Ca -0.04 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1a53 n GLY 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1a53 h TRP 8 N 0.00 0.00 -0.47 1.61 5.08 -1.97 -1.78 115.95 118.43 1a53 h TRP 8 Ca 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 1a53 h TRP 8 Cb 0.00 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 1a53 h TRP 8 CO 0.00 0.00 -0.13 -0.07 -1.28 0.00 0.00 178.44 176.96 1a53 h LEU 9 N 0.00 0.87 -0.76 0.11 3.38 -1.90 0.20 115.31 117.20 1a53 h LEU 9 Ca 0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1a53 h LEU 9 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1a53 h LEU 9 CO -0.00 1.01 0.26 0.50 0.09 0.00 0.00 178.44 180.30 1a53 h LYS 10 N 0.78 1.17 -0.12 1.13 3.11 -1.24 -1.67 116.57 119.73 1a53 h LYS 10 Ca 0.12 -0.24 -0.03 0.00 -2.81 0.00 0.00 60.65 57.69 1a53 h LYS 10 Cb 0.65 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1a53 h LYS 10 CO 0.05 0.98 -0.05 -0.44 -2.81 0.00 0.00 179.45 177.17 1a53 h ASP 11 N 1.12 0.26 -0.26 4.20 3.32 -1.11 -1.97 116.42 121.98 1a53 h ASP 11 Ca 0.25 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1a53 h ASP 11 Cb 0.28 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1a53 h ASP 11 CO -0.01 0.61 -0.06 1.62 -1.72 0.00 0.00 179.24 179.67 1a53 h VAL 12 N -0.09 1.23 -0.56 -1.35 3.04 -0.93 -1.68 116.25 115.91 1a53 h VAL 12 Ca 0.03 -0.99 -0.10 0.00 -1.01 0.00 0.00 66.70 64.63 1a53 h VAL 12 Cb 0.51 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1a53 h VAL 12 CO 0.02 0.34 -0.03 0.58 -1.01 0.00 0.00 177.57 177.46 1a53 h VAL 13 N 0.58 1.26 -0.80 1.51 2.07 -1.25 -1.16 116.25 118.46 1a53 h VAL 13 Ca 0.11 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1a53 h VAL 13 Cb 0.46 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1a53 h VAL 13 CO 0.02 0.41 0.35 1.56 0.02 0.00 0.00 177.57 179.94 1a53 h GLN 14 N 0.90 1.18 -0.83 1.57 1.08 -0.83 -1.29 115.11 116.88 1a53 h GLN 14 Ca 0.16 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1a53 h GLN 14 Cb 0.56 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1a53 h GLN 14 CO 0.03 0.93 0.38 -0.07 -0.95 0.00 0.00 178.83 179.15 1a53 h LEU 15 N 1.16 1.10 -0.77 1.46 3.38 -0.87 -2.79 115.31 117.98 1a53 h LEU 15 Ca 0.27 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1a53 h LEU 15 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1a53 h LEU 15 CO -0.03 0.94 -0.17 0.28 0.09 0.00 0.00 178.44 179.54 1a53 h SER 16 N 1.19 0.75 -0.48 -0.43 0.02 -0.70 -2.47 113.55 111.43 1a53 h SER 16 Ca 0.28 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1a53 h SER 16 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1a53 h SER 16 CO -0.03 0.93 0.31 -0.07 -1.14 0.00 0.00 176.83 176.83 1a53 h LEU 17 N 0.67 0.56 -3.51 5.07 3.38 -0.98 -1.82 115.31 118.67 1a53 h LEU 17 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1a53 h LEU 17 Cb 0.66 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1a53 h LEU 17 CO 0.05 0.41 0.01 -2.11 0.09 0.00 0.00 178.44 176.89 1a53 n ARG 18 N -4.46 4.38 -2.19 1.13 1.85 -1.08 -4.96 116.66 111.34 1a53 n ARG 18 Ca 0.04 -3.10 -0.42 0.00 -1.00 0.00 0.00 57.85 53.37 1a53 n ARG 18 Cb 0.06 -2.17 -0.03 0.00 -1.05 0.00 0.00 32.46 29.27 1a53 n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1a53 s ARG 19 N -2.81 4.22 0.36 2.89 6.06 -0.69 -4.97 118.95 124.02 1a53 s ARG 19 Ca 0.52 1.98 -0.28 0.00 -2.50 0.00 0.00 55.73 55.45 1a53 s ARG 19 Cb 0.40 -3.80 -0.10 0.00 0.06 0.00 0.00 34.95 31.51 1a53 s ARG 19 CO 0.14 -0.73 1.34 -2.14 -2.50 0.00 0.00 175.30 171.42 1a53 s PRO 20 N 3.40 4.18 0.60 5.12 0.02 -1.26 -4.96 135.00 142.10 1a53 s PRO 20 Ca 0.65 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.80 1a53 s PRO 20 Cb -0.30 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1a53 s PRO 20 CO 0.24 -0.36 1.05 -1.54 -0.33 0.00 0.00 177.00 176.06 1a53 s SER 21 N -0.49 5.85 -0.19 2.53 1.04 -1.26 -5.05 113.70 116.13 1a53 s SER 21 Ca 0.52 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.67 1a53 s SER 21 Cb -0.41 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.19 1a53 s SER 21 CO 0.54 -1.12 -0.12 0.12 0.98 0.00 0.00 173.24 173.64 1a53 s PHE 22 N -2.62 2.86 -0.24 5.02 2.19 -1.26 -5.10 117.98 118.83 1a53 s PHE 22 Ca 0.61 -1.15 -0.12 0.00 0.33 0.00 0.00 56.93 56.61 1a53 s PHE 22 Cb -0.15 -1.99 -0.05 0.00 -1.31 0.00 0.00 43.02 39.53 1a53 s PHE 22 CO 0.40 -0.58 0.24 0.50 1.83 0.00 0.00 175.22 177.61 1a53 s ARG 23 N 1.20 4.06 0.14 10.12 3.52 -1.26 -4.65 118.95 132.08 1a53 s ARG 23 Ca 0.02 -0.14 -0.24 0.00 -0.13 0.00 0.00 55.73 55.24 1a53 s ARG 23 Cb -0.14 -3.58 0.07 0.00 -1.56 0.00 0.00 34.95 29.74 1a53 s ARG 23 CO -0.05 -0.06 0.65 0.00 -0.81 0.00 0.00 175.30 175.03 1a53 s ALA 24 N 1.39 -1.61 0.00 6.12 0.00 -1.26 -5.10 121.76 121.30 1a53 s ALA 24 Ca 0.11 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 1a53 s ALA 24 Cb -0.15 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 23.74 1a53 s ALA 24 CO 0.07 -0.77 0.45 -1.12 0.00 0.00 0.00 175.76 174.38 1a53 s SER 25 N -2.72 6.85 -0.22 0.00 0.01 -1.26 -4.81 113.70 111.55 1a53 s SER 25 Ca 0.02 1.01 -0.12 0.00 1.31 0.00 0.00 55.95 58.17 1a53 s SER 25 Cb -0.01 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1a53 s SER 25 CO -0.11 0.28 0.23 -0.60 0.41 0.00 0.00 173.24 173.45 1a53 s ARG 26 N -0.92 4.13 -0.00 12.44 3.52 -1.26 -4.94 118.95 131.92 1a53 s ARG 26 Ca 0.25 -0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1a53 s ARG 26 Cb -0.17 -3.51 -0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1a53 s ARG 26 CO 0.14 0.09 -0.00 -0.56 -0.81 0.00 0.00 175.30 174.16 1a53 h GLN 27 N 7.26 0.00 -6.76 5.12 -0.00 -1.94 -3.48 115.11 115.32 1a53 h GLN 27 Ca -0.38 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 57.76 1a53 h GLN 27 Cb 1.16 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.65 1a53 h GLN 27 CO 0.70 0.00 0.47 -0.98 -0.00 0.00 0.00 178.83 179.02 1a53 s ARG 28 N -1.03 4.64 1.12 0.06 1.04 -1.26 -5.04 118.95 118.48 1a53 s ARG 28 Ca -0.00 1.76 -0.13 0.00 -1.04 0.00 0.00 55.73 56.31 1a53 s ARG 28 Cb 0.00 -3.22 0.25 0.00 -2.04 0.00 0.00 34.95 29.94 1a53 s ARG 28 CO 0.00 0.19 1.05 -2.14 -0.04 0.00 0.00 175.30 174.37 1a53 s PRO 29 N -1.09 -0.53 0.21 3.89 0.02 -1.26 -4.96 135.00 131.28 1a53 s PRO 29 Ca 0.46 0.60 -0.30 0.00 0.02 0.00 0.00 61.00 61.78 1a53 s PRO 29 Cb -0.31 -1.62 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1a53 s PRO 29 CO 0.38 -3.40 1.08 0.42 -0.33 0.00 0.00 177.00 175.15 1a53 s ILE 30 N -2.70 3.79 -0.28 2.83 1.01 -1.26 -5.02 121.20 119.57 1a53 s ILE 30 Ca 0.67 1.64 -0.02 0.00 0.00 0.00 0.00 60.65 62.95 1a53 s ILE 30 Cb -0.21 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.25 1a53 s ILE 30 CO 0.61 0.33 -0.02 -0.63 0.00 0.00 0.00 174.94 175.23 1a53 s ILE 31 N -0.61 2.96 0.03 2.92 1.01 -1.26 -5.08 121.20 121.17 1a53 s ILE 31 Ca 0.47 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 1a53 s ILE 31 Cb -0.30 -2.63 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 1a53 s ILE 31 CO 0.36 -0.00 1.76 -0.55 0.00 0.00 0.00 174.94 176.51 1a53 s SER 32 N 1.28 6.56 0.03 3.58 0.15 -1.26 -4.66 113.70 119.38 1a53 s SER 32 Ca -0.03 2.50 -0.18 0.00 0.70 0.00 0.00 55.95 58.94 1a53 s SER 32 Cb -0.19 -2.55 -0.22 0.00 -1.71 0.00 0.00 66.02 61.36 1a53 s SER 32 CO -0.02 -0.96 1.16 0.25 1.20 0.00 0.00 173.24 174.87 1a53 h LEU 33 N 9.61 0.67 -1.37 3.45 5.85 -1.93 -2.89 115.31 128.69 1a53 h LEU 33 Ca -0.44 -0.73 -0.06 0.00 0.84 0.00 0.00 57.88 57.49 1a53 h LEU 33 Cb 1.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1a53 h LEU 33 CO 0.94 1.30 -0.26 -0.55 -0.34 0.00 0.00 178.44 179.53 1a53 h ASN 34 N 0.10 0.07 0.66 1.25 7.08 -1.91 -1.36 115.58 121.46 1a53 h ASN 34 Ca -0.08 -0.02 -0.19 0.00 -3.08 0.00 0.00 56.30 52.93 1a53 h ASN 34 Cb 1.38 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.59 1a53 h ASN 34 CO 0.14 0.34 -0.87 -0.33 -2.08 0.00 0.00 177.43 174.64 1a53 h GLU 35 N 0.07 0.14 -0.14 4.14 5.08 -1.97 -2.62 114.58 119.27 1a53 h GLU 35 Ca 0.01 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 1a53 h GLU 35 Cb 0.51 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1a53 h GLU 35 CO 0.04 0.92 -0.61 -0.09 -1.00 0.00 0.00 179.01 178.27 1a53 h ARG 36 N 0.07 0.48 -0.31 2.33 2.43 -1.22 -2.21 114.38 115.95 1a53 h ARG 36 Ca -0.03 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1a53 h ARG 36 Cb 1.50 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 1a53 h ARG 36 CO 0.13 0.94 0.19 0.82 -1.51 0.00 0.00 179.97 180.54 1a53 h ILE 37 N 0.35 1.10 -0.91 1.20 2.04 -1.23 -1.23 117.51 118.84 1a53 h ILE 37 Ca -0.01 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1a53 h ILE 37 Cb 1.15 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1a53 h ILE 37 CO 0.11 0.10 0.59 -0.07 0.00 0.00 0.00 178.15 178.88 1a53 h LEU 38 N 0.41 0.98 -0.70 1.44 4.07 -1.34 -0.34 115.31 119.83 1a53 h LEU 38 Ca 0.11 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.95 1a53 h LEU 38 Cb -0.00 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 1a53 h LEU 38 CO -0.02 0.67 -0.56 1.05 -1.08 0.00 0.00 178.44 178.50 1a53 h GLU 39 N 1.14 0.00 -0.29 1.13 4.11 -1.07 -1.11 114.58 118.49 1a53 h GLU 39 Ca 0.36 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.64 1a53 h GLU 39 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1a53 h GLU 39 CO -0.12 0.56 -0.42 0.74 0.07 0.00 0.00 179.01 179.85 1a53 h PHE 40 N 0.00 0.86 -0.43 2.06 -1.00 -0.58 -1.10 116.94 116.75 1a53 h PHE 40 Ca -0.01 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 1a53 h PHE 40 Cb 1.11 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.47 1a53 h PHE 40 CO 0.00 1.01 0.24 -0.91 -1.61 0.00 0.00 178.31 177.04 1a53 h ASN 41 N 0.58 0.53 -0.73 2.17 2.35 -0.77 0.47 115.58 120.18 1a53 h ASN 41 Ca 0.04 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1a53 h ASN 41 Cb 0.96 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.16 1a53 h ASN 41 CO 0.09 0.46 0.43 0.50 -1.65 0.00 0.00 177.43 177.26 1a53 h LYS 42 N 0.56 1.00 -0.39 0.81 3.64 -1.00 -1.99 116.57 119.20 1a53 h LYS 42 Ca 0.15 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1a53 h LYS 42 Cb 0.04 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1a53 h LYS 42 CO -0.03 0.73 0.00 0.54 -2.27 0.00 0.00 179.45 178.42 1a53 n ARG 43 N -4.50 1.84 -3.19 1.90 1.74 -0.44 -4.93 116.66 109.09 1a53 n ARG 43 Ca 0.07 -1.09 -0.23 0.00 -0.77 0.00 0.00 57.85 55.82 1a53 n ARG 43 Cb 0.07 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1a53 n ARG 43 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1a53 n ASN 44 N 0.34 -4.82 -4.70 0.55 2.85 -0.51 -4.99 115.26 103.98 1a53 n ASN 44 Ca 0.10 -0.33 -0.35 0.00 -0.11 0.00 0.00 54.58 53.89 1a53 n ASN 44 Cb 0.32 -3.94 -0.09 0.00 1.24 0.00 0.00 39.78 37.31 1a53 n ASN 44 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1a53 s ILE 45 N -3.04 5.02 0.17 -1.44 1.01 0.04 -5.02 121.20 117.95 1a53 s ILE 45 Ca 0.35 0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.72 1a53 s ILE 45 Cb -0.17 -3.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 1a53 s ILE 45 CO 0.43 0.49 1.69 -0.89 0.00 0.00 0.00 174.94 176.66 1a53 s THR 46 N 0.05 2.39 -0.47 2.92 2.01 -1.26 -4.30 115.64 116.98 1a53 s THR 46 Ca 0.07 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 1a53 s THR 46 Cb -0.12 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.31 1a53 s THR 46 CO 0.00 0.01 0.53 0.00 -0.69 0.00 0.00 174.62 174.47 1a53 s ALA 47 N 1.59 3.42 -0.14 7.40 0.00 -1.26 -4.85 121.76 127.93 1a53 s ALA 47 Ca 0.74 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1a53 s ALA 47 Cb -0.46 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1a53 s ALA 47 CO 0.33 -1.81 -0.08 0.42 0.00 0.00 0.00 175.76 174.62 1a53 s ILE 48 N 2.32 3.55 -0.42 0.00 -1.09 -1.26 -1.24 121.20 123.05 1a53 s ILE 48 Ca 0.13 -0.49 -0.13 0.00 -2.23 0.00 0.00 60.65 57.93 1a53 s ILE 48 Cb -0.19 -2.52 0.05 0.00 -1.58 0.00 0.00 42.46 38.22 1a53 s ILE 48 CO 0.12 0.51 0.29 -0.63 -1.23 0.00 0.00 174.94 174.01 1a53 s ILE 49 N 0.27 4.86 0.00 2.92 1.01 0.11 -0.65 121.20 129.73 1a53 s ILE 49 Ca -0.06 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1a53 s ILE 49 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1a53 s ILE 49 CO 0.04 -0.40 0.89 0.00 0.00 0.00 0.00 174.94 175.47 1a53 s ALA 50 N 1.59 3.23 -0.09 9.38 0.00 -0.78 -1.46 121.76 133.63 1a53 s ALA 50 Ca 0.03 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1a53 s ALA 50 Cb -0.21 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1a53 s ALA 50 CO 0.07 -0.15 -0.01 -2.00 0.00 0.00 0.00 175.76 173.66 1a53 s GLU 51 N 0.75 2.97 -0.21 0.00 2.12 -0.19 -0.57 118.70 123.57 1a53 s GLU 51 Ca 0.47 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 1a53 s GLU 51 Cb -0.20 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 1a53 s GLU 51 CO 0.25 0.68 -0.04 -0.47 -0.54 0.00 0.00 175.26 175.14 1a53 s TYR 52 N -0.81 2.96 -0.23 5.30 5.04 -0.04 -4.61 117.35 124.96 1a53 s TYR 52 Ca 0.12 -0.81 -0.13 0.00 -2.44 0.00 0.00 57.07 53.82 1a53 s TYR 52 Cb -0.11 -2.08 0.07 0.00 0.35 0.00 0.00 41.96 40.19 1a53 s TYR 52 CO 0.02 -0.45 0.57 -1.59 -1.34 0.00 0.00 175.55 172.75 1a53 s LYS 53 N 1.29 0.57 0.15 4.97 -2.85 -1.26 -2.66 119.74 119.95 1a53 s LYS 53 Ca 0.04 1.05 -0.02 0.00 -1.00 0.00 0.00 55.97 56.04 1a53 s LYS 53 Cb -0.14 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.69 1a53 s LYS 53 CO -0.01 -0.16 1.35 0.00 0.10 0.00 0.00 175.35 176.63 1a53 h ARG 54 N 7.11 0.35 -4.70 1.78 3.08 -1.82 -3.45 114.38 116.73 1a53 h ARG 54 Ca -0.32 -0.36 -0.26 0.00 0.07 0.00 0.00 59.98 59.11 1a53 h ARG 54 Cb 1.20 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 31.20 1a53 h ARG 54 CO 0.21 1.03 -0.65 0.21 -1.07 0.00 0.00 179.97 179.71 1a53 s LYS 55 N -3.34 1.10 -0.14 0.04 2.20 -1.21 -0.84 119.74 117.55 1a53 s LYS 55 Ca -0.05 -1.54 -0.21 0.00 -0.36 0.00 0.00 55.97 53.81 1a53 s LYS 55 Cb 0.10 -0.10 0.05 0.00 -1.51 0.00 0.00 37.83 36.36 1a53 s LYS 55 CO 0.85 -0.20 0.53 -1.54 -0.36 0.00 0.00 175.35 174.64 1a53 s SER 56 N -3.16 -0.52 0.62 1.43 1.04 -0.96 -4.52 113.70 107.64 1a53 s SER 56 Ca 0.26 0.84 0.40 0.00 0.48 0.00 0.00 55.95 57.94 1a53 s SER 56 Cb 0.07 0.85 2.20 0.00 0.10 0.00 0.00 66.02 69.24 1a53 s SER 56 CO 0.05 -0.33 2.24 1.55 0.98 0.00 0.00 173.24 177.73 1a53 h PRO 57 N 4.54 0.00 -0.52 4.02 0.13 -1.90 -0.83 132.00 137.44 1a53 h PRO 57 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1a53 h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1a53 h PRO 57 CO 0.25 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.89 1a53 n SER 58 N -2.95 2.16 0.00 1.44 3.41 -1.26 -4.92 113.62 111.51 1a53 n SER 58 Ca -0.03 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 1a53 n SER 58 Cb 0.09 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1a53 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a53 n GLY 59 N 0.69 2.19 3.76 5.00 0.00 -0.32 -5.10 105.19 111.41 1a53 n GLY 59 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1a53 n GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a53 n LEU 60 N 0.00 4.62 -3.18 0.99 7.94 -1.23 -4.84 117.00 121.31 1a53 n LEU 60 Ca 0.00 1.23 0.02 0.00 -1.11 0.00 0.00 56.01 56.14 1a53 n LEU 60 Cb 0.00 -1.60 -0.01 0.00 0.53 0.00 0.00 43.42 42.34 1a53 n LEU 60 CO 0.00 0.07 0.08 -0.62 -1.11 0.00 0.00 177.39 175.81 1a53 s ASP 61 N -0.16 -1.38 -0.01 1.96 -1.08 -1.24 -2.26 116.67 112.51 1a53 s ASP 61 Ca 0.54 -0.04 0.03 0.00 -0.52 0.00 0.00 52.55 52.55 1a53 s ASP 61 Cb -0.49 1.91 -0.00 0.00 -1.46 0.00 0.00 42.92 42.88 1a53 s ASP 61 CO 0.64 -0.28 -0.08 -0.69 0.52 0.00 0.00 175.17 175.27 1a53 s VAL 62 N 2.63 0.69 -0.31 1.11 1.01 -0.02 -5.03 120.40 120.49 1a53 s VAL 62 Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 1a53 s VAL 62 Cb -0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1a53 s VAL 62 CO -0.23 0.20 0.13 -1.61 0.00 0.00 0.00 175.10 173.59 1a53 s GLU 63 N -0.09 3.28 -0.17 2.72 0.41 -1.26 -4.63 118.70 118.95 1a53 s GLU 63 Ca 0.02 -0.75 -0.13 0.00 -0.41 0.00 0.00 54.97 53.70 1a53 s GLU 63 Cb -0.05 -3.51 0.05 0.00 -1.78 0.00 0.00 34.13 28.85 1a53 s GLU 63 CO -0.00 -0.42 0.44 0.50 -0.49 0.00 0.00 175.26 175.29 1a53 s ARG 64 N 1.58 0.47 0.02 1.61 3.52 -1.26 -5.13 118.95 119.77 1a53 s ARG 64 Ca 0.04 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 1a53 s ARG 64 Cb -0.17 0.14 -0.08 0.00 -1.56 0.00 0.00 34.95 33.28 1a53 s ARG 64 CO 0.05 -0.10 1.73 0.34 -0.81 0.00 0.00 175.30 176.50 1a53 s ASP 65 N 0.74 6.59 0.23 -2.12 2.15 -1.26 -4.91 116.67 118.09 1a53 s ASP 65 Ca -0.04 2.45 -0.08 0.00 0.43 0.00 0.00 52.55 55.31 1a53 s ASP 65 Cb -0.05 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.27 1a53 s ASP 65 CO -0.05 -0.94 1.86 1.55 -0.17 0.00 0.00 175.17 177.42 1a53 h PRO 66 N 9.23 0.95 -0.12 4.34 0.13 -1.99 -1.05 132.00 143.48 1a53 h PRO 66 Ca -0.43 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1a53 h PRO 66 Cb 1.20 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1a53 h PRO 66 CO 0.94 0.63 0.00 0.82 -0.23 0.00 0.00 178.00 180.16 1a53 h ILE 67 N 0.98 1.25 -0.42 -3.56 1.08 -1.96 -1.60 117.51 113.28 1a53 h ILE 67 Ca 0.33 -0.81 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1a53 h ILE 67 Cb 0.04 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1a53 h ILE 67 CO -0.13 0.24 0.12 -0.33 -0.69 0.00 0.00 178.15 177.36 1a53 h GLU 68 N -0.05 0.66 -0.26 2.37 4.39 -1.94 -0.73 114.58 119.01 1a53 h GLU 68 Ca 0.03 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1a53 h GLU 68 Cb 0.36 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1a53 h GLU 68 CO 0.01 0.65 0.04 -0.92 -1.16 0.00 0.00 179.01 177.63 1a53 h TYR 69 N 0.54 0.06 -0.46 4.33 3.20 -1.19 -1.11 116.97 122.33 1a53 h TYR 69 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1a53 h TYR 69 Cb 0.28 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1a53 h TYR 69 CO 0.01 0.00 0.17 0.77 -1.64 0.00 0.00 178.16 177.48 1a53 h SER 70 N 0.13 0.65 -0.14 -2.11 0.02 -1.11 -0.44 113.55 110.56 1a53 h SER 70 Ca 0.12 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1a53 h SER 70 Cb 0.14 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1a53 h SER 70 CO -0.17 0.66 -0.08 0.11 -1.14 0.00 0.00 176.83 176.21 1a53 h LYS 71 N 0.61 0.45 0.01 3.45 1.57 -0.97 0.11 116.57 121.80 1a53 h LYS 71 Ca 0.15 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a53 h LYS 71 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1a53 h LYS 71 CO -0.01 0.54 -0.00 0.35 -0.57 0.00 0.00 179.45 179.76 1a53 h PHE 72 N 0.43 -0.01 0.00 -1.35 3.57 -0.94 -3.17 116.94 115.47 1a53 h PHE 72 Ca 0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1a53 h PHE 72 Cb 0.40 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1a53 h PHE 72 CO 0.01 0.53 -0.02 0.52 -2.23 0.00 0.00 178.31 177.11 1a53 h MET 73 N -0.56 0.00 -0.34 1.11 2.86 -0.89 -2.34 114.93 114.77 1a53 h MET 73 Ca -0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1a53 h MET 73 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1a53 h MET 73 CO 0.00 0.02 0.25 1.49 1.06 0.00 0.00 176.91 179.74 1a53 h GLU 74 N 0.00 0.00 0.00 1.72 4.81 -0.74 0.18 114.58 120.56 1a53 h GLU 74 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1a53 h GLU 74 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1a53 h GLU 74 CO 0.00 0.00 -0.33 0.00 -0.73 0.00 0.00 179.01 177.96 1a53 h ARG 75 N 0.00 0.00 0.00 1.92 3.08 -1.53 -3.39 114.38 114.47 1a53 h ARG 75 Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1a53 h ARG 75 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1a53 h ARG 75 CO -0.00 0.33 -1.24 0.66 -1.07 0.00 0.00 179.97 178.64 1a53 n TYR 76 N -3.85 0.00 -2.21 3.04 4.01 -0.38 -5.09 117.16 112.68 1a53 n TYR 76 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.36 1a53 n TYR 76 Cb 0.40 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1a53 n TYR 76 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a53 s ALA 77 N -2.09 2.82 -0.03 -0.72 0.00 0.51 -4.79 121.76 117.46 1a53 s ALA 77 Ca -0.05 0.92 0.18 0.00 0.00 0.00 0.00 51.96 53.01 1a53 s ALA 77 Cb 0.01 -3.39 0.42 0.00 0.00 0.00 0.00 23.12 20.17 1a53 s ALA 77 CO 0.10 -0.78 1.61 -0.24 0.00 0.00 0.00 175.76 176.45 1a53 h VAL 78 N 1.50 0.76 -1.94 0.00 3.04 -1.21 -3.47 116.25 114.92 1a53 h VAL 78 Ca -0.50 -1.75 0.29 0.00 -1.01 0.00 0.00 66.70 63.74 1a53 h VAL 78 Cb 1.26 2.14 -0.08 0.00 -2.01 0.00 0.00 31.29 32.59 1a53 h VAL 78 CO 0.58 0.38 0.78 -0.83 -1.01 0.00 0.00 177.57 177.47 1a53 s GLY 79 N -4.38 -0.21 0.14 3.17 0.00 -1.23 -4.24 107.32 100.56 1a53 s GLY 79 Ca 0.02 0.24 0.11 0.00 0.00 0.00 0.00 44.72 45.09 1a53 s GLY 79 CO 0.70 2.40 -0.26 1.08 0.00 0.00 0.00 173.10 177.02 1a53 s LEU 80 N -3.34 2.34 -0.15 0.66 1.43 -0.15 -1.87 118.68 117.60 1a53 s LEU 80 Ca 0.21 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1a53 s LEU 80 Cb 0.01 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1a53 s LEU 80 CO -0.01 0.15 -0.21 -0.55 0.23 0.00 0.00 176.35 175.97 1a53 s SER 81 N -2.16 3.17 -0.15 2.29 0.15 0.26 -0.24 113.70 117.01 1a53 s SER 81 Ca 0.14 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1a53 s SER 81 Cb -0.10 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1a53 s SER 81 CO 0.06 0.06 -0.17 -0.63 1.20 0.00 0.00 173.24 173.77 1a53 s ILE 82 N 0.92 2.49 0.06 6.45 -1.09 -0.30 -0.86 121.20 128.87 1a53 s ILE 82 Ca -0.04 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.25 1a53 s ILE 82 Cb -0.15 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 1a53 s ILE 82 CO -0.04 0.52 1.11 -0.76 -1.23 0.00 0.00 174.94 174.55 1a53 s LEU 83 N 0.87 4.39 0.00 2.97 2.01 -1.09 -0.71 118.68 127.11 1a53 s LEU 83 Ca -0.05 1.91 0.02 0.00 0.01 0.00 0.00 54.13 56.02 1a53 s LEU 83 Cb -0.15 -3.58 0.02 0.00 0.01 0.00 0.00 46.19 42.49 1a53 s LEU 83 CO -0.02 -0.37 0.60 0.35 1.01 0.00 0.00 176.35 177.93 1a53 n THR 84 N 3.73 0.07 -2.24 5.49 -2.24 -0.52 -3.72 114.28 114.85 1a53 n THR 84 Ca 0.07 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1a53 n THR 84 Cb 0.48 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1a53 n THR 84 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a53 s GLU 85 N -0.24 4.33 -0.07 -0.78 -6.30 -1.26 -3.73 118.70 110.65 1a53 s GLU 85 Ca 0.03 1.97 -0.18 0.00 -2.50 0.00 0.00 54.97 54.29 1a53 s GLU 85 Cb 0.02 -3.39 -0.29 0.00 0.00 0.00 0.00 34.13 30.47 1a53 s GLU 85 CO 0.03 -0.45 0.72 0.93 0.02 0.00 0.00 175.26 176.50 1a53 h GLU 86 N 7.18 0.28 -0.05 4.30 5.08 -1.93 0.16 114.58 129.60 1a53 h GLU 86 Ca -0.40 -0.48 -0.24 0.00 -1.00 0.00 0.00 59.36 57.24 1a53 h GLU 86 Cb 1.20 0.18 0.02 0.00 0.50 0.00 0.00 28.75 30.65 1a53 h GLU 86 CO 0.87 1.23 -0.89 -0.22 -1.00 0.00 0.00 179.01 179.00 1a53 h LYS 87 N -0.31 0.69 0.00 2.33 3.64 -1.92 -2.71 116.57 118.29 1a53 h LYS 87 Ca -0.24 -0.68 -0.20 0.00 -1.27 0.00 0.00 60.65 58.27 1a53 h LYS 87 Cb 1.73 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.69 1a53 h LYS 87 CO 0.11 1.27 -2.17 0.66 -2.27 0.00 0.00 179.45 177.05 1a53 n TYR 88 N -3.94 0.00 0.48 1.91 4.02 -1.26 -4.52 117.16 113.85 1a53 n TYR 88 Ca -0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1a53 n TYR 88 Cb 0.81 -0.75 0.02 0.00 -0.02 0.00 0.00 39.34 39.40 1a53 n TYR 88 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1a53 n PHE 89 N -2.51 0.00 -2.83 -0.72 3.01 -1.25 -3.82 117.46 109.35 1a53 n PHE 89 Ca -0.20 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.05 1a53 n PHE 89 Cb 0.88 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.36 1a53 n PHE 89 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1a53 n ASN 90 N 0.17 -5.45 -4.50 4.37 3.02 -1.02 -3.34 115.26 108.52 1a53 n ASN 90 Ca 0.06 -0.17 -0.20 0.00 -0.03 0.00 0.00 54.58 54.24 1a53 n ASN 90 Cb 0.26 -4.48 0.09 0.00 -0.61 0.00 0.00 39.78 35.04 1a53 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a53 n GLY 91 N -1.25 1.26 3.49 7.41 0.00 0.56 -4.74 105.19 111.93 1a53 n GLY 91 Ca -0.14 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 1a53 n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a53 s SER 92 N -4.52 -0.42 0.30 1.61 1.04 -1.24 -3.97 113.70 106.51 1a53 s SER 92 Ca 0.58 0.06 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1a53 s SER 92 Cb -0.04 0.42 0.49 0.00 0.10 0.00 0.00 66.02 67.00 1a53 s SER 92 CO 0.38 -0.66 1.77 1.88 0.98 0.00 0.00 173.24 177.59 1a53 h TYR 93 N 2.08 0.48 -0.89 5.02 0.05 -1.92 -2.93 116.97 118.87 1a53 h TYR 93 Ca -0.24 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.46 1a53 h TYR 93 Cb 1.24 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.82 1a53 h TYR 93 CO 0.26 0.62 0.59 1.49 -1.05 0.00 0.00 178.16 180.07 1a53 h GLU 94 N 0.40 1.17 -0.34 4.88 4.22 -1.98 -0.37 114.58 122.56 1a53 h GLU 94 Ca 0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1a53 h GLU 94 Cb 0.58 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1a53 h GLU 94 CO 0.04 0.77 0.11 1.15 -2.18 0.00 0.00 179.01 178.90 1a53 h THR 95 N 1.21 1.21 -0.54 0.32 2.02 -1.92 -1.24 112.91 113.95 1a53 h THR 95 Ca 0.33 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1a53 h THR 95 Cb -0.14 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1a53 h THR 95 CO -0.07 0.23 0.35 0.25 0.37 0.00 0.00 175.52 176.64 1a53 h LEU 96 N 0.39 0.59 -0.32 2.58 6.46 -1.36 -1.33 115.31 122.32 1a53 h LEU 96 Ca 0.11 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1a53 h LEU 96 Cb 0.24 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1a53 h LEU 96 CO -0.00 0.42 0.19 -0.09 -0.62 0.00 0.00 178.44 178.33 1a53 h ARG 97 N 0.70 0.37 -0.50 1.25 1.12 -0.81 -0.08 114.38 116.44 1a53 h ARG 97 Ca 0.21 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 59.01 1a53 h ARG 97 Cb -0.04 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1a53 h ARG 97 CO -0.06 0.24 0.13 0.87 -3.11 0.00 0.00 179.97 178.04 1a53 h LYS 98 N 0.38 0.79 -0.25 0.20 1.57 -0.98 -2.55 116.57 115.74 1a53 h LYS 98 Ca 0.13 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1a53 h LYS 98 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1a53 h LYS 98 CO -0.06 0.76 0.06 0.82 -0.57 0.00 0.00 179.45 180.47 1a53 h ILE 99 N 0.68 1.21 -0.35 1.86 2.04 -1.06 -2.80 117.51 119.09 1a53 h ILE 99 Ca 0.16 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.42 1a53 h ILE 99 Cb 0.32 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1a53 h ILE 99 CO 0.00 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.61 1a53 h ALA 100 N 0.89 2.13 0.00 1.87 0.00 -0.93 0.22 119.26 123.44 1a53 h ALA 100 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a53 h ALA 100 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a53 h ALA 100 CO -0.00 -0.22 -0.05 0.77 0.00 0.00 0.00 179.25 179.75 1a53 h SER 101 N 0.15 0.00 0.24 0.00 0.02 -1.26 -3.35 113.55 109.35 1a53 h SER 101 Ca 0.16 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1a53 h SER 101 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1a53 h SER 101 CO -0.02 0.00 -1.79 -1.20 -1.14 0.00 0.00 176.83 172.68 1a53 n SER 102 N -2.65 0.22 -4.44 3.07 7.64 0.01 -4.99 113.62 112.47 1a53 n SER 102 Ca 0.05 0.09 -0.22 0.00 1.01 0.00 0.00 58.87 59.79 1a53 n SER 102 Cb 0.48 1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 65.09 1a53 n SER 102 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1a53 s VAL 103 N -3.38 2.03 -0.15 0.44 -7.23 -0.86 -4.95 120.40 106.30 1a53 s VAL 103 Ca -0.06 -2.24 0.16 0.00 -1.81 0.00 0.00 61.98 58.03 1a53 s VAL 103 Cb 0.12 -2.35 0.33 0.00 0.56 0.00 0.00 36.38 35.04 1a53 s VAL 103 CO 0.87 -0.38 1.17 -1.54 -0.31 0.00 0.00 175.10 174.92 1a53 n SER 104 N -0.59 2.10 -4.90 4.85 3.41 -1.26 -4.85 113.62 112.38 1a53 n SER 104 Ca -0.06 -3.33 -0.21 0.00 -0.26 0.00 0.00 58.87 55.02 1a53 n SER 104 Cb 0.62 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1a53 n SER 104 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1a53 s ILE 105 N -2.93 4.32 0.48 -1.33 -4.36 -1.26 -5.07 121.20 111.06 1a53 s ILE 105 Ca 0.33 -1.21 -0.24 0.00 -0.26 0.00 0.00 60.65 59.28 1a53 s ILE 105 Cb 0.31 -3.46 -0.07 0.00 1.25 0.00 0.00 42.46 40.49 1a53 s ILE 105 CO -0.00 -0.26 1.38 -2.65 0.24 0.00 0.00 174.94 173.65 1a53 n PRO 106 N -1.38 1.99 -4.92 0.37 -0.02 -1.26 -4.82 135.00 124.96 1a53 n PRO 106 Ca -0.05 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 1a53 n PRO 106 Cb 0.58 -2.57 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 1a53 n PRO 106 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a53 s ILE 107 N -1.23 1.86 -0.18 4.25 1.01 -1.26 -0.98 121.20 124.66 1a53 s ILE 107 Ca 0.65 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1a53 s ILE 107 Cb -0.44 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1a53 s ILE 107 CO 0.54 0.51 0.06 -0.22 0.00 0.00 0.00 174.94 175.84 1a53 s LEU 108 N 0.57 3.82 -0.22 2.97 1.98 0.66 -0.28 118.68 128.17 1a53 s LEU 108 Ca -0.14 0.08 -0.19 0.00 -2.89 0.00 0.00 54.13 50.99 1a53 s LEU 108 Cb -0.17 -1.97 -0.03 0.00 0.66 0.00 0.00 46.19 44.69 1a53 s LEU 108 CO 0.05 0.17 0.56 -0.32 -1.89 0.00 0.00 176.35 174.91 1a53 s MET 109 N 0.40 4.15 -0.28 1.98 -2.45 -0.39 -1.15 119.30 121.55 1a53 s MET 109 Ca 0.03 0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 54.85 1a53 s MET 109 Cb -0.12 -3.60 -0.00 0.00 1.25 0.00 0.00 34.83 32.35 1a53 s MET 109 CO 0.00 -0.26 0.07 0.21 1.05 0.00 0.00 175.02 176.09 1a53 s LYS 110 N 2.01 3.24 0.04 4.11 2.20 0.11 -2.99 119.74 128.46 1a53 s LYS 110 Ca 0.24 -0.76 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 1a53 s LYS 110 Cb -0.16 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1a53 s LYS 110 CO 0.09 -0.37 0.08 -3.47 -0.36 0.00 0.00 175.35 171.32 1a53 n ASP 111 N 4.88 -0.24 -4.16 1.43 -0.08 -1.26 -1.44 116.55 115.68 1a53 n ASP 111 Ca -0.15 -1.18 -0.39 0.00 -1.51 0.00 0.00 54.79 51.56 1a53 n ASP 111 Cb 0.49 0.41 -0.07 0.00 2.34 0.00 0.00 41.12 44.29 1a53 n ASP 111 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1a53 s PHE 112 N -7.87 3.64 -0.35 -0.67 0.40 -1.26 -4.85 117.98 107.01 1a53 s PHE 112 Ca 0.02 -2.64 -0.29 0.00 -0.60 0.00 0.00 56.93 53.42 1a53 s PHE 112 Cb -0.00 -3.37 0.02 0.00 0.51 0.00 0.00 43.02 40.17 1a53 s PHE 112 CO 0.01 -0.85 1.13 0.42 0.70 0.00 0.00 175.22 176.64 1a53 s ILE 113 N -0.40 4.36 0.00 0.64 1.01 -1.26 -4.82 121.20 120.73 1a53 s ILE 113 Ca 0.20 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1a53 s ILE 113 Cb -0.14 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1a53 s ILE 113 CO -0.07 -0.61 0.29 1.33 0.00 0.00 0.00 174.94 175.88 1a53 n VAL 114 N 6.18 0.00 -3.82 2.92 0.24 -1.26 -4.79 118.33 117.79 1a53 n VAL 114 Ca 0.13 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 1a53 n VAL 114 Cb 0.47 1.23 -0.09 0.00 -1.47 0.00 0.00 33.84 33.99 1a53 n VAL 114 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1a53 s LYS 115 N -0.14 0.67 0.38 7.34 -2.85 -1.26 -4.92 119.74 118.96 1a53 s LYS 115 Ca 0.00 -0.49 0.08 0.00 -1.00 0.00 0.00 55.97 54.56 1a53 s LYS 115 Cb 0.00 0.28 0.82 0.00 -2.06 0.00 0.00 37.83 36.87 1a53 s LYS 115 CO 0.00 -0.19 1.95 0.93 0.10 0.00 0.00 175.35 178.14 1a53 h GLU 116 N 3.64 0.64 -0.18 1.78 5.08 -1.99 -2.45 114.58 121.10 1a53 h GLU 116 Ca -0.31 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1a53 h GLU 116 Cb 1.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1a53 h GLU 116 CO 0.45 0.43 0.12 0.66 -1.00 0.00 0.00 179.01 179.67 1a53 h SER 117 N 0.66 0.13 -0.04 1.42 4.64 -1.98 -0.61 113.55 117.77 1a53 h SER 117 Ca 0.32 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 1a53 h SER 117 Cb 0.38 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1a53 h SER 117 CO -0.11 0.09 -0.12 1.56 -0.87 0.00 0.00 176.83 177.38 1a53 h GLN 118 N 0.15 0.34 -0.08 4.77 4.20 -1.81 0.21 115.11 122.89 1a53 h GLN 118 Ca 0.08 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 1a53 h GLN 118 Cb 0.12 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1a53 h GLN 118 CO -0.01 0.47 -0.74 0.82 -0.67 0.00 0.00 178.83 178.70 1a53 h ILE 119 N 0.32 1.37 -0.67 2.54 2.04 -1.25 -0.83 117.51 121.03 1a53 h ILE 119 Ca 0.06 -2.14 -0.01 0.00 1.00 0.00 0.00 64.86 63.77 1a53 h ILE 119 Cb 0.42 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1a53 h ILE 119 CO 0.02 0.65 0.40 0.44 0.00 0.00 0.00 178.15 179.66 1a53 h ASP 120 N 0.29 0.82 -0.04 1.72 3.32 -0.53 -0.96 116.42 121.04 1a53 h ASP 120 Ca -0.03 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1a53 h ASP 120 Cb 1.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1a53 h ASP 120 CO 0.13 0.65 -0.04 0.44 -1.72 0.00 0.00 179.24 178.70 1a53 h ASP 121 N 0.92 -0.11 -0.43 6.45 3.32 -0.32 -0.14 116.42 126.09 1a53 h ASP 121 Ca 0.24 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.39 1a53 h ASP 121 Cb -0.01 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1a53 h ASP 121 CO -0.04 -0.05 0.06 0.00 -1.72 0.00 0.00 179.24 177.49 1a53 h ALA 122 N 0.98 0.46 -0.18 3.45 0.00 -0.73 0.96 119.26 124.20 1a53 h ALA 122 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1a53 h ALA 122 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a53 h ALA 122 CO -0.07 -0.34 0.08 -0.92 0.00 0.00 0.00 179.25 178.01 1a53 h TYR 123 N 0.19 0.27 0.00 0.00 3.20 -0.89 -0.61 116.97 119.13 1a53 h TYR 123 Ca 0.21 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1a53 h TYR 123 Cb 0.28 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1a53 h TYR 123 CO -0.23 0.30 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.36 1a53 h ASN 124 N 0.16 0.00 1.47 -2.11 -0.26 -0.57 -2.87 115.58 111.40 1a53 h ASN 124 Ca 0.06 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1a53 h ASN 124 Cb 0.14 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1a53 h ASN 124 CO -0.01 0.32 -0.23 -0.07 -1.06 0.00 0.00 177.43 176.39 1a53 h LEU 125 N 0.00 0.00 0.00 1.61 -0.00 -0.70 -3.40 115.31 112.82 1a53 h LEU 125 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1a53 h LEU 125 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1a53 h LEU 125 CO 0.04 0.23 0.00 0.61 -0.00 0.00 0.00 178.44 179.32 1a53 n GLY 126 N 0.80 1.05 3.77 0.83 0.00 -1.03 -4.31 105.19 106.30 1a53 n GLY 126 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1a53 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a53 s ALA 127 N -2.00 2.56 -0.26 4.61 0.00 -0.27 -4.84 121.76 121.57 1a53 s ALA 127 Ca 0.00 0.72 0.21 0.00 0.00 0.00 0.00 51.96 52.90 1a53 s ALA 127 Cb 0.00 -3.35 -0.31 0.00 0.00 0.00 0.00 23.12 19.46 1a53 s ALA 127 CO 0.00 -1.07 0.57 -0.25 0.00 0.00 0.00 175.76 175.02 1a53 n ASP 128 N -1.86 0.31 -3.66 0.00 8.00 0.61 -4.56 116.55 115.40 1a53 n ASP 128 Ca 0.11 -0.24 -0.06 0.00 0.71 0.00 0.00 54.79 55.32 1a53 n ASP 128 Cb 0.51 1.74 -0.01 0.00 -0.02 0.00 0.00 41.12 43.35 1a53 n ASP 128 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1a53 s THR 129 N -3.36 0.00 0.18 -3.53 -1.32 -1.02 -4.65 115.64 101.94 1a53 s THR 129 Ca -0.04 -0.84 0.02 0.00 -1.21 0.00 0.00 61.69 59.62 1a53 s THR 129 Cb 0.14 -2.19 -0.05 0.00 -1.51 0.00 0.00 72.50 68.90 1a53 s THR 129 CO 0.88 0.00 -0.00 0.68 -2.21 0.00 0.00 174.62 173.97 1a53 s VAL 130 N -3.33 0.75 -0.14 5.08 -7.23 -1.26 -1.26 120.40 113.01 1a53 s VAL 130 Ca 0.13 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 1a53 s VAL 130 Cb -0.04 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1a53 s VAL 130 CO 0.06 -0.47 0.15 -0.22 -0.31 0.00 0.00 175.10 174.32 1a53 s LEU 131 N -3.19 4.33 -0.08 1.32 2.96 -1.16 -1.25 118.68 121.61 1a53 s LEU 131 Ca 0.24 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 1a53 s LEU 131 Cb 0.06 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1a53 s LEU 131 CO 0.04 0.32 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.43 1a53 s LEU 132 N -0.51 1.96 -0.34 -0.68 1.43 -0.43 -4.49 118.68 115.62 1a53 s LEU 132 Ca 0.13 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1a53 s LEU 132 Cb -0.12 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1a53 s LEU 132 CO 0.02 0.13 0.16 -0.63 0.23 0.00 0.00 176.35 176.26 1a53 s ILE 133 N 0.36 4.36 0.32 -0.59 1.01 -1.26 -0.84 121.20 124.55 1a53 s ILE 133 Ca -0.15 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1a53 s ILE 133 Cb -0.17 -3.36 0.29 0.00 0.01 0.00 0.00 42.46 39.24 1a53 s ILE 133 CO 0.07 -0.10 1.91 0.58 0.00 0.00 0.00 174.94 177.40 1a53 h VAL 134 N 5.87 1.01 0.00 2.92 2.07 -1.80 -2.64 116.25 123.67 1a53 h VAL 134 Ca -0.28 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1a53 h VAL 134 Cb 1.11 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1a53 h VAL 134 CO 0.63 0.17 0.00 2.29 0.02 0.00 0.00 177.57 180.68 1a53 n LYS 135 N -4.51 0.11 -0.00 1.57 2.85 -1.26 -2.80 118.16 114.12 1a53 n LYS 135 Ca 0.14 0.37 0.07 0.00 -1.05 0.00 0.00 58.31 57.84 1a53 n LYS 135 Cb 0.26 -1.72 -0.09 0.00 -0.65 0.00 0.00 35.03 32.83 1a53 n LYS 135 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1a53 n ILE 136 N -1.93 0.00 -4.17 0.58 -5.35 -1.00 -4.84 119.36 102.65 1a53 n ILE 136 Ca 0.02 -0.17 -0.28 0.00 -0.27 0.00 0.00 62.75 62.05 1a53 n ILE 136 Cb 0.19 0.91 -0.08 0.00 -1.74 0.00 0.00 39.64 38.92 1a53 n ILE 136 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1a53 s LEU 137 N -2.83 3.36 0.65 7.28 1.02 -1.12 -0.73 118.68 126.31 1a53 s LEU 137 Ca 0.04 -0.31 -0.09 0.00 0.02 0.00 0.00 54.13 53.80 1a53 s LEU 137 Cb 0.11 -2.05 0.01 0.00 0.02 0.00 0.00 46.19 44.28 1a53 s LEU 137 CO 0.60 0.13 1.00 0.42 0.02 0.00 0.00 176.35 178.52 1a53 s THR 138 N -1.52 3.51 0.27 5.49 -4.23 -1.26 -4.70 115.64 113.20 1a53 s THR 138 Ca 0.26 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1a53 s THR 138 Cb -0.10 -3.44 0.24 0.00 1.34 0.00 0.00 72.50 70.54 1a53 s THR 138 CO 0.18 -0.52 1.93 -0.08 -0.54 0.00 0.00 174.62 175.59 1a53 h GLU 139 N -0.42 1.16 -0.42 3.99 4.81 -1.99 -0.97 114.58 120.73 1a53 h GLU 139 Ca -0.45 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1a53 h GLU 139 Cb 1.26 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1a53 h GLU 139 CO 0.62 0.80 0.09 0.00 -0.73 0.00 0.00 179.01 179.79 1a53 h ARG 140 N 1.18 0.69 -0.40 1.92 3.08 -1.99 -1.81 114.38 117.05 1a53 h ARG 140 Ca 0.31 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1a53 h ARG 140 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1a53 h ARG 140 CO -0.06 0.71 0.20 0.93 -1.07 0.00 0.00 179.97 180.68 1a53 h GLU 141 N 0.55 0.57 -0.52 0.04 5.08 -1.85 -1.84 114.58 116.60 1a53 h GLU 141 Ca 0.13 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a53 h GLU 141 Cb 0.34 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1a53 h GLU 141 CO 0.00 0.48 0.34 1.25 -1.00 0.00 0.00 179.01 180.08 1a53 h LEU 142 N 0.51 0.58 -0.79 1.33 6.46 -1.09 -0.83 115.31 121.48 1a53 h LEU 142 Ca 0.14 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1a53 h LEU 142 Cb 0.09 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1a53 h LEU 142 CO -0.02 0.42 0.23 -0.08 -0.62 0.00 0.00 178.44 178.37 1a53 h GLU 143 N 0.69 1.13 -0.09 1.25 4.81 -1.18 -0.18 114.58 121.02 1a53 h GLU 143 Ca 0.20 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1a53 h GLU 143 Cb -0.06 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1a53 h GLU 143 CO -0.05 0.96 -0.02 0.77 -0.73 0.00 0.00 179.01 179.94 1a53 h SER 144 N 1.09 0.17 -0.80 1.04 0.02 -0.96 -1.72 113.55 112.38 1a53 h SER 144 Ca 0.24 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1a53 h SER 144 Cb 0.30 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1a53 h SER 144 CO -0.01 0.49 0.37 -0.07 -1.14 0.00 0.00 176.83 176.47 1a53 h LEU 145 N -0.14 1.07 -0.07 5.07 4.07 -1.11 0.18 115.31 124.37 1a53 h LEU 145 Ca 0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1a53 h LEU 145 Cb 0.41 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1a53 h LEU 145 CO 0.01 0.91 0.04 0.25 -1.08 0.00 0.00 178.44 178.57 1a53 h LEU 146 N 1.16 0.09 -0.96 1.67 5.85 -0.98 0.73 115.31 122.87 1a53 h LEU 146 Ca 0.28 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1a53 h LEU 146 Cb 0.14 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1a53 h LEU 146 CO -0.03 0.14 0.42 -0.33 -0.34 0.00 0.00 178.44 178.30 1a53 h GLU 147 N 0.03 1.16 -0.24 1.25 4.39 -0.89 -1.89 114.58 118.39 1a53 h GLU 147 Ca 0.03 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1a53 h GLU 147 Cb 0.07 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1a53 h GLU 147 CO -0.00 0.87 0.06 -0.92 -1.16 0.00 0.00 179.01 177.85 1a53 h TYR 148 N 1.16 0.41 -0.89 4.33 3.20 -0.26 -2.48 116.97 122.42 1a53 h TYR 148 Ca 0.29 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1a53 h TYR 148 Cb 0.07 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1a53 h TYR 148 CO 0.01 0.48 0.59 0.00 -1.64 0.00 0.00 178.16 177.60 1a53 h ALA 149 N 0.88 1.14 0.00 1.82 0.00 -0.66 -1.98 119.26 120.46 1a53 h ALA 149 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a53 h ALA 149 Cb 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a53 h ALA 149 CO 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 1a53 h ARG 150 N 1.19 0.00 0.00 0.00 3.08 -1.12 -1.61 114.38 115.92 1a53 h ARG 150 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1a53 h ARG 150 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1a53 h ARG 150 CO -0.08 0.09 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 1a53 h SER 151 N 0.00 0.00 -0.58 7.04 4.64 -0.90 0.21 113.55 123.96 1a53 h SER 151 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a53 h SER 151 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1a53 h SER 151 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1a53 n TYR 152 N -2.51 0.76 -1.09 4.77 4.01 -0.65 -4.93 117.16 117.52 1a53 n TYR 152 Ca 0.01 -0.38 -0.03 0.00 -0.16 0.00 0.00 57.90 57.34 1a53 n TYR 152 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1a53 n TYR 152 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a53 n GLY 153 N 1.60 0.62 3.88 2.72 0.00 0.06 -4.96 105.19 109.11 1a53 n GLY 153 Ca 0.22 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1a53 n GLY 153 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a53 s MET 154 N -2.25 3.40 -0.38 1.61 -1.94 -0.93 -4.97 119.30 113.84 1a53 s MET 154 Ca 0.00 -0.29 -0.04 0.00 -1.71 0.00 0.00 55.69 53.65 1a53 s MET 154 Cb 0.00 -3.09 0.08 0.00 2.01 0.00 0.00 34.83 33.83 1a53 s MET 154 CO 0.00 0.70 0.16 -2.00 -0.01 0.00 0.00 175.02 173.87 1a53 s GLU 155 N -1.66 2.31 0.65 2.03 2.56 -1.26 -3.16 118.70 120.16 1a53 s GLU 155 Ca 0.23 -1.54 -0.16 0.00 0.00 0.00 0.00 54.97 53.51 1a53 s GLU 155 Cb -0.12 -3.52 -0.01 0.00 2.00 0.00 0.00 34.13 32.48 1a53 s GLU 155 CO 0.14 -0.90 1.12 -1.25 -0.56 0.00 0.00 175.26 173.81 1a53 s PRO 156 N 1.26 2.83 -0.28 4.30 0.04 -1.26 -4.74 135.00 137.15 1a53 s PRO 156 Ca 0.03 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 1a53 s PRO 156 Cb -0.22 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1a53 s PRO 156 CO -0.01 -1.23 0.68 -1.17 0.04 0.00 0.00 177.00 175.30 1a53 s LEU 157 N -4.74 4.09 -0.31 -3.56 2.96 -0.38 -4.47 118.68 112.26 1a53 s LEU 157 Ca 0.68 0.65 -0.12 0.00 -0.22 0.00 0.00 54.13 55.13 1a53 s LEU 157 Cb -0.21 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 1a53 s LEU 157 CO 0.40 -0.47 0.21 -0.63 -1.32 0.00 0.00 176.35 174.54 1a53 s ILE 158 N 2.66 5.16 -0.14 6.68 1.01 0.09 -1.32 121.20 135.34 1a53 s ILE 158 Ca 0.28 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 1a53 s ILE 158 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1a53 s ILE 158 CO 0.10 0.10 0.49 -0.70 0.00 0.00 0.00 174.94 174.93 1a53 s GLU 159 N 1.72 4.30 0.20 2.79 2.12 -0.02 -0.82 118.70 128.98 1a53 s GLU 159 Ca 0.06 0.44 0.11 0.00 0.36 0.00 0.00 54.97 55.94 1a53 s GLU 159 Cb -0.17 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1a53 s GLU 159 CO 0.10 0.07 -0.19 0.96 -0.54 0.00 0.00 175.26 175.66 1a53 s ILE 160 N 0.91 2.63 0.00 -3.70 -4.36 -0.06 -2.26 121.20 114.36 1a53 s ILE 160 Ca 0.25 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1a53 s ILE 160 Cb -0.15 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.27 1a53 s ILE 160 CO 0.10 -0.14 0.00 -3.20 0.24 0.00 0.00 174.94 171.94 1a53 n ASN 161 N 0.12 0.46 -3.16 4.36 2.85 -1.26 -1.72 115.26 116.91 1a53 n ASN 161 Ca -0.11 -0.10 -0.13 0.00 -0.11 0.00 0.00 54.58 54.12 1a53 n ASN 161 Cb 0.56 0.29 -0.03 0.00 1.24 0.00 0.00 39.78 41.85 1a53 n ASN 161 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1a53 s ASP 162 N -0.38 0.72 0.29 1.20 1.47 -1.26 -4.93 116.67 113.77 1a53 s ASP 162 Ca 0.00 -1.41 0.00 0.00 1.18 0.00 0.00 52.55 52.32 1a53 s ASP 162 Cb 0.00 0.71 0.44 0.00 -0.34 0.00 0.00 42.92 43.72 1a53 s ASP 162 CO 0.00 -1.39 1.82 -0.33 0.68 0.00 0.00 175.17 175.94 1a53 h GLU 163 N 2.08 0.73 -0.49 2.11 5.08 -1.99 -2.47 114.58 119.62 1a53 h GLU 163 Ca -0.29 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 1a53 h GLU 163 Cb 1.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1a53 h GLU 163 CO 0.39 0.71 -0.06 -0.97 -1.00 0.00 0.00 179.01 178.08 1a53 h ASN 164 N 0.69 0.85 -0.64 1.42 -1.24 -2.00 -1.92 115.58 112.74 1a53 h ASN 164 Ca 0.15 -0.24 0.01 0.00 0.71 0.00 0.00 56.30 56.92 1a53 h ASN 164 Cb 0.36 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1a53 h ASN 164 CO 0.01 0.94 0.42 0.44 -1.29 0.00 0.00 177.43 177.96 1a53 h ASP 165 N 0.79 0.74 -0.68 1.15 3.32 -1.88 -2.57 116.42 117.29 1a53 h ASP 165 Ca 0.14 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1a53 h ASP 165 Cb 0.55 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1a53 h ASP 165 CO 0.03 0.54 0.17 0.25 -1.72 0.00 0.00 179.24 178.50 1a53 h LEU 166 N 0.87 1.04 -0.22 1.55 5.85 -1.11 0.12 115.31 123.41 1a53 h LEU 166 Ca 0.23 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1a53 h LEU 166 Cb -0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 1a53 h LEU 166 CO -0.05 1.00 0.14 0.44 -0.34 0.00 0.00 178.44 179.62 1a53 h ASP 167 N 1.04 0.26 -0.03 1.25 3.32 -1.13 0.53 116.42 121.66 1a53 h ASP 167 Ca 0.22 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1a53 h ASP 167 Cb 0.37 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1a53 h ASP 167 CO 0.00 0.21 0.01 0.40 -1.72 0.00 0.00 179.24 178.15 1a53 h ILE 168 N 0.28 1.09 -0.81 0.35 2.04 -1.27 0.29 117.51 119.48 1a53 h ILE 168 Ca 0.08 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1a53 h ILE 168 Cb -0.00 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1a53 h ILE 168 CO -0.02 0.07 0.45 0.00 0.00 0.00 0.00 178.15 178.66 1a53 h ALA 169 N 0.91 1.14 -0.29 1.87 0.00 -0.73 -0.42 119.26 121.73 1a53 h ALA 169 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1a53 h ALA 169 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a53 h ALA 169 CO -0.00 0.08 -0.34 -0.07 0.00 0.00 0.00 179.25 178.92 1a53 h LEU 170 N 0.76 0.80 -0.80 0.00 4.07 -0.70 -1.56 115.31 117.88 1a53 h LEU 170 Ca 0.39 -0.49 0.02 0.00 0.08 0.00 0.00 57.88 57.88 1a53 h LEU 170 Cb 0.36 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 1a53 h LEU 170 CO -0.25 1.13 0.53 -0.09 -1.08 0.00 0.00 178.44 178.68 1a53 h ARG 171 N 0.50 1.03 -0.01 1.13 2.43 -0.10 -2.08 114.38 117.27 1a53 h ARG 171 Ca 0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1a53 h ARG 171 Cb 0.92 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1a53 h ARG 171 CO 0.08 0.68 0.00 0.44 -1.51 0.00 0.00 179.97 179.66 1a53 n ILE 172 N -4.54 0.02 -2.42 1.20 -5.35 -0.25 -4.93 119.36 103.08 1a53 n ILE 172 Ca 0.09 -0.04 -0.03 0.00 -0.27 0.00 0.00 62.75 62.50 1a53 n ILE 172 Cb 0.04 -0.27 0.01 0.00 -1.74 0.00 0.00 39.64 37.68 1a53 n ILE 172 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a53 n GLY 173 N 0.91 0.60 3.75 3.28 0.00 -0.78 -5.02 105.19 107.92 1a53 n GLY 173 Ca 0.18 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1a53 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a53 s ALA 174 N -2.71 3.57 -0.36 4.61 0.00 -0.60 -4.93 121.76 121.33 1a53 s ALA 174 Ca 0.05 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.35 1a53 s ALA 174 Cb -0.02 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1a53 s ALA 174 CO 0.06 -0.67 0.34 0.54 0.00 0.00 0.00 175.76 176.03 1a53 n ARG 175 N 1.94 4.06 -3.66 0.00 1.74 -1.26 -4.89 116.66 114.59 1a53 n ARG 175 Ca 0.05 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 1a53 n ARG 175 Cb 0.41 -0.90 -0.16 0.00 -1.02 0.00 0.00 32.46 30.79 1a53 n ARG 175 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1a53 s PHE 176 N -1.82 0.94 -0.04 -1.55 5.36 -1.26 -1.44 117.98 118.18 1a53 s PHE 176 Ca 0.03 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 54.97 1a53 s PHE 176 Cb 0.06 -1.17 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1a53 s PHE 176 CO 0.34 -0.75 -0.19 0.42 -1.46 0.00 0.00 175.22 173.58 1a53 s ILE 177 N 1.88 2.63 -0.17 3.12 1.01 -0.25 -0.73 121.20 128.70 1a53 s ILE 177 Ca 0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1a53 s ILE 177 Cb -0.17 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1a53 s ILE 177 CO -0.22 0.59 -0.04 -0.83 0.00 0.00 0.00 174.94 174.44 1a53 s GLY 178 N -0.65 1.69 -0.40 6.18 0.00 0.00 -0.38 107.32 113.76 1a53 s GLY 178 Ca 0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 1a53 s GLY 178 CO 0.00 0.02 0.24 -0.42 0.00 0.00 0.00 173.10 172.95 1a53 s ILE 179 N 0.59 4.49 -0.31 0.90 1.09 0.36 -0.88 121.20 127.43 1a53 s ILE 179 Ca -0.03 -1.09 -0.20 0.00 -1.10 0.00 0.00 60.65 58.24 1a53 s ILE 179 Cb -0.14 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1a53 s ILE 179 CO 0.03 -0.37 0.60 0.21 -0.10 0.00 0.00 174.94 175.31 1a53 s ASN 180 N 1.85 6.45 0.25 3.58 3.84 -0.70 -1.13 114.94 129.08 1a53 s ASN 180 Ca 0.02 0.34 0.25 0.00 0.21 0.00 0.00 52.86 53.67 1a53 s ASN 180 Cb -0.21 -2.31 0.92 0.00 -0.55 0.00 0.00 41.25 39.10 1a53 s ASN 180 CO 0.05 -0.47 1.74 -1.54 -2.79 0.00 0.00 177.10 174.09 1a53 n SER 181 N 5.84 0.74 -4.64 -4.21 3.41 -0.65 -4.63 113.62 109.48 1a53 n SER 181 Ca -0.02 0.64 -0.35 0.00 -0.26 0.00 0.00 58.87 58.88 1a53 n SER 181 Cb 0.49 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1a53 n SER 181 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1a53 s ARG 182 N -3.24 4.00 -0.32 4.33 3.52 -1.26 -0.85 118.95 125.13 1a53 s ARG 182 Ca 0.07 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.05 1a53 s ARG 182 Cb 0.10 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1a53 s ARG 182 CO 0.47 0.22 1.29 0.34 -0.81 0.00 0.00 175.30 176.81 1a53 s ASP 183 N 0.53 6.66 0.49 -2.12 -1.08 0.06 -4.90 116.67 116.31 1a53 s ASP 183 Ca 0.04 1.14 0.16 0.00 -0.52 0.00 0.00 52.55 53.38 1a53 s ASP 183 Cb -0.12 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 39.99 1a53 s ASP 183 CO 0.01 -1.10 2.08 -0.07 0.52 0.00 0.00 175.17 176.61 1a53 h LEU 184 N 10.94 0.13 -0.03 -1.34 3.38 -1.95 0.55 115.31 126.98 1a53 h LEU 184 Ca -0.26 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 1a53 h LEU 184 Cb 1.09 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1a53 h LEU 184 CO 1.04 0.08 -0.57 -0.08 0.09 0.00 0.00 178.44 179.00 1a53 h GLU 185 N 0.14 0.44 -0.00 1.13 4.81 -1.97 -3.36 114.58 115.77 1a53 h GLU 185 Ca 0.11 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1a53 h GLU 185 Cb 0.27 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1a53 h GLU 185 CO -0.02 1.09 -0.88 0.25 -0.73 0.00 0.00 179.01 178.73 1a53 n THR 186 N -4.22 0.00 -1.10 0.32 -2.24 -1.12 -4.94 114.28 100.97 1a53 n THR 186 Ca -0.10 -0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1a53 n THR 186 Cb 0.65 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.87 1a53 n THR 186 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a53 n LEU 187 N -1.40 0.27 -4.75 3.22 4.77 0.19 -4.98 117.00 114.33 1a53 n LEU 187 Ca 0.04 0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1a53 n LEU 187 Cb 0.30 -1.97 -0.05 0.00 -2.33 0.00 0.00 43.42 39.37 1a53 n LEU 187 CO 0.38 -0.72 0.50 -1.61 -1.33 0.00 0.00 177.39 174.61 1a53 s GLU 188 N -1.85 4.54 0.05 3.23 2.02 -1.24 -4.77 118.70 120.68 1a53 s GLU 188 Ca 0.00 1.14 -0.07 0.00 0.02 0.00 0.00 54.97 56.05 1a53 s GLU 188 Cb 0.00 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 1a53 s GLU 188 CO 0.00 0.31 0.32 0.42 0.02 0.00 0.00 175.26 176.33 1a53 s ILE 189 N -0.19 5.22 -0.36 -1.63 1.01 -1.26 -0.76 121.20 123.23 1a53 s ILE 189 Ca 0.39 0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.30 1a53 s ILE 189 Cb -0.21 -3.60 0.15 0.00 0.01 0.00 0.00 42.46 38.81 1a53 s ILE 189 CO 0.24 0.30 0.35 0.21 0.00 0.00 0.00 174.94 176.04 1a53 s ASN 190 N -1.83 1.35 0.35 3.58 3.84 -0.03 -4.99 114.94 117.22 1a53 s ASN 190 Ca 0.31 -1.49 0.03 0.00 0.21 0.00 0.00 52.86 51.92 1a53 s ASN 190 Cb -0.13 0.49 0.65 0.00 -0.55 0.00 0.00 41.25 41.71 1a53 s ASN 190 CO 0.18 -0.28 1.97 0.11 -2.79 0.00 0.00 177.10 176.29 1a53 h LYS 191 N 7.24 0.70 -0.20 0.43 1.79 -1.98 -2.84 116.57 121.71 1a53 h LYS 191 Ca 0.02 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1a53 h LYS 191 Cb 1.05 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1a53 h LYS 191 CO 0.22 0.53 -0.04 1.49 -1.08 0.00 0.00 179.45 180.57 1a53 h GLU 192 N 0.71 0.39 -0.84 3.15 4.57 -1.97 -1.98 114.58 118.61 1a53 h GLU 192 Ca 0.18 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1a53 h GLU 192 Cb 0.04 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1a53 h GLU 192 CO -0.03 0.63 0.47 -0.97 -1.18 0.00 0.00 179.01 177.94 1a53 h ASN 193 N 0.11 1.03 -0.48 1.04 -0.73 -1.95 -1.96 115.58 112.64 1a53 h ASN 193 Ca 0.05 -0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.16 1a53 h ASN 193 Cb 0.49 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 1a53 h ASN 193 CO 0.02 0.81 0.28 -0.61 -0.37 0.00 0.00 177.43 177.57 1a53 h GLN 194 N 1.16 0.55 -0.88 6.67 4.15 -1.35 -1.57 115.11 123.85 1a53 h GLN 194 Ca 0.30 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1a53 h GLN 194 Cb 0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 1a53 h GLN 194 CO -0.05 0.37 0.47 0.00 -1.93 0.00 0.00 178.83 177.68 1a53 h ARG 195 N 0.57 1.25 -0.20 1.69 3.08 -0.78 -0.88 114.38 119.10 1a53 h ARG 195 Ca 0.19 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1a53 h ARG 195 Cb 0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1a53 h ARG 195 CO -0.08 0.93 0.10 -0.22 -1.07 0.00 0.00 179.97 179.62 1a53 h LYS 196 N 1.25 0.29 -0.55 0.04 3.64 -1.01 -2.51 116.57 117.71 1a53 h LYS 196 Ca 0.31 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1a53 h LYS 196 Cb 0.06 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1a53 h LYS 196 CO -0.05 0.32 0.27 -0.07 -2.27 0.00 0.00 179.45 177.65 1a53 h LEU 197 N 0.19 0.72 -1.07 5.20 3.38 -0.99 -2.63 115.31 120.12 1a53 h LEU 197 Ca 0.07 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1a53 h LEU 197 Cb 0.12 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1a53 h LEU 197 CO -0.01 0.64 0.62 0.40 0.09 0.00 0.00 178.44 180.18 1a53 h ILE 198 N 0.75 1.03 0.00 1.22 2.04 -1.05 -1.54 117.51 119.95 1a53 h ILE 198 Ca 0.19 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1a53 h ILE 198 Cb 0.11 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1a53 h ILE 198 CO -0.02 0.19 0.00 0.28 0.00 0.00 0.00 178.15 178.60 1a53 h SER 199 N 1.06 0.00 0.54 1.72 0.02 -1.08 -2.97 113.55 112.85 1a53 h SER 199 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1a53 h SER 199 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1a53 h SER 199 CO -0.18 0.00 -0.84 0.23 -1.14 0.00 0.00 176.83 174.90 1a53 n MET 200 N -2.42 0.23 -2.53 3.45 2.81 -0.59 -4.96 117.12 113.11 1a53 n MET 200 Ca 0.02 0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 1a53 n MET 200 Cb 0.27 -1.60 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 1a53 n MET 200 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1a53 s ILE 201 N -3.15 3.97 0.32 2.02 1.01 -1.12 -5.00 121.20 119.25 1a53 s ILE 201 Ca 0.06 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.08 1a53 s ILE 201 Cb 0.15 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.43 1a53 s ILE 201 CO 0.77 0.26 1.28 -2.65 0.00 0.00 0.00 174.94 174.60 1a53 n PRO 202 N 2.59 2.03 0.30 2.79 -0.02 -1.26 -4.86 135.00 136.57 1a53 n PRO 202 Ca 0.03 0.71 0.20 0.00 -2.02 0.00 0.00 63.50 62.43 1a53 n PRO 202 Cb 0.47 -2.28 1.05 0.00 -0.02 0.00 0.00 33.50 32.71 1a53 n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a53 h SER 203 N 2.77 0.00 -0.10 2.55 4.64 -1.98 -2.25 113.55 119.19 1a53 h SER 203 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1a53 h SER 203 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1a53 h SER 203 CO 0.65 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 1a53 n ASN 204 N -2.92 1.31 -4.77 4.97 2.04 -1.26 -4.83 115.26 109.80 1a53 n ASN 204 Ca -0.02 -1.58 -0.36 0.00 -0.44 0.00 0.00 54.58 52.17 1a53 n ASN 204 Cb 0.09 -0.06 -0.07 0.00 -2.53 0.00 0.00 39.78 37.21 1a53 n ASN 204 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1a53 s VAL 205 N -1.88 5.35 -0.15 3.53 1.01 -0.85 -5.01 120.40 122.41 1a53 s VAL 205 Ca 0.34 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 1a53 s VAL 205 Cb 0.18 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1a53 s VAL 205 CO 0.28 0.47 1.20 -0.69 0.00 0.00 0.00 175.10 176.36 1a53 s VAL 206 N -0.04 4.37 -0.17 2.92 1.01 -0.52 -4.93 120.40 123.04 1a53 s VAL 206 Ca 0.14 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 1a53 s VAL 206 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1a53 s VAL 206 CO 0.03 -0.11 0.06 -0.54 0.00 0.00 0.00 175.10 174.54 1a53 s LYS 207 N 3.09 3.85 -0.16 2.72 1.02 -1.26 -1.09 119.74 127.91 1a53 s LYS 207 Ca 0.53 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 56.19 1a53 s LYS 207 Cb -0.21 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 1a53 s LYS 207 CO 0.15 0.35 -0.18 0.08 -0.92 0.00 0.00 175.35 174.83 1a53 s VAL 208 N 0.14 1.85 0.06 3.17 1.01 0.49 -1.31 120.40 125.80 1a53 s VAL 208 Ca 0.05 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 1a53 s VAL 208 Cb -0.12 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1a53 s VAL 208 CO 0.01 0.51 0.91 0.00 0.00 0.00 0.00 175.10 176.52 1a53 s ALA 209 N 1.28 3.25 0.01 5.51 0.00 -0.26 -0.49 121.76 131.07 1a53 s ALA 209 Ca 0.03 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1a53 s ALA 209 Cb -0.13 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1a53 s ALA 209 CO -0.10 -0.07 -0.17 -1.21 0.00 0.00 0.00 175.76 174.21 1a53 s GLU 210 N 0.31 1.27 0.00 0.00 2.02 -0.29 -0.86 118.70 121.16 1a53 s GLU 210 Ca 0.46 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1a53 s GLU 210 Cb -0.22 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1a53 s GLU 210 CO 0.27 0.34 0.00 0.43 0.02 0.00 0.00 175.26 176.32 1a53 n SER 211 N 2.33 -0.67 -1.12 -0.19 7.64 -1.24 -1.63 113.62 118.74 1a53 n SER 211 Ca -0.16 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.58 1a53 n SER 211 Cb 0.54 0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 64.59 1a53 n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a53 n GLY 212 N -0.86 1.43 3.66 0.23 0.00 -1.26 -4.73 105.19 103.66 1a53 n GLY 212 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1a53 n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a53 s ILE 213 N -2.32 5.02 0.00 -0.61 1.01 -1.26 -4.87 121.20 118.16 1a53 s ILE 213 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1a53 s ILE 213 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1a53 s ILE 213 CO 0.00 0.10 0.03 -1.54 0.00 0.00 0.00 174.94 173.53 1a53 n SER 214 N 5.14 0.06 -4.25 3.58 3.41 -1.26 -4.59 113.62 115.71 1a53 n SER 214 Ca -0.01 -0.36 -0.27 0.00 -0.26 0.00 0.00 58.87 57.97 1a53 n SER 214 Cb 0.50 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.47 1a53 n SER 214 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1a53 s GLU 215 N -0.17 1.53 0.42 4.33 0.41 -1.26 -5.03 118.70 118.92 1a53 s GLU 215 Ca 0.00 -0.91 0.08 0.00 -0.41 0.00 0.00 54.97 53.74 1a53 s GLU 215 Cb 0.00 -1.60 0.90 0.00 -1.78 0.00 0.00 34.13 31.65 1a53 s GLU 215 CO 0.00 0.42 2.06 -0.09 -0.49 0.00 0.00 175.26 177.15 1a53 h ARG 216 N 5.07 0.49 -0.07 1.61 2.43 -1.94 -2.31 114.38 119.67 1a53 h ARG 216 Ca -0.42 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 1a53 h ARG 216 Cb 1.15 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1a53 h ARG 216 CO 0.45 0.33 -0.28 -2.95 -1.51 0.00 0.00 179.97 176.00 1a53 h ASN 217 N 0.51 0.12 -0.68 -3.80 7.08 -1.97 -1.45 115.58 115.38 1a53 h ASN 217 Ca 0.16 -0.04 -0.08 0.00 -3.08 0.00 0.00 56.30 53.26 1a53 h ASN 217 Cb 0.01 -0.03 -0.03 0.00 -2.08 0.00 0.00 38.32 36.19 1a53 h ASN 217 CO -0.04 0.41 0.13 -0.33 -2.08 0.00 0.00 177.43 175.52 1a53 h GLU 218 N 0.11 1.12 -0.03 4.14 4.39 -1.84 -1.10 114.58 121.37 1a53 h GLU 218 Ca 0.02 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 1a53 h GLU 218 Cb 0.56 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1a53 h GLU 218 CO 0.04 1.01 0.01 0.82 -1.16 0.00 0.00 179.01 179.73 1a53 h ILE 219 N 1.05 1.13 -0.65 3.13 2.04 -1.32 -1.26 117.51 121.63 1a53 h ILE 219 Ca 0.21 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1a53 h ILE 219 Cb 0.42 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1a53 h ILE 219 CO 0.01 0.10 0.37 -0.33 0.00 0.00 0.00 178.15 178.30 1a53 h GLU 220 N -0.11 0.67 0.23 2.37 3.07 -1.08 -0.24 114.58 119.49 1a53 h GLU 220 Ca 0.01 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1a53 h GLU 220 Cb 0.16 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1a53 h GLU 220 CO -0.00 0.44 -0.11 0.93 -1.40 0.00 0.00 179.01 178.87 1a53 h GLU 221 N 0.69 -0.30 -1.00 2.33 5.08 -1.07 -2.75 114.58 117.56 1a53 h GLU 221 Ca 0.28 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1a53 h GLU 221 Cb 0.14 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1a53 h GLU 221 CO -0.16 -0.16 0.65 -0.07 -1.00 0.00 0.00 179.01 178.27 1a53 h LEU 222 N -0.36 1.05 -1.42 1.33 4.07 -0.95 -1.49 115.31 117.54 1a53 h LEU 222 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1a53 h LEU 222 Cb 0.28 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1a53 h LEU 222 CO 0.05 0.67 0.38 -0.09 -1.08 0.00 0.00 178.44 178.37 1a53 h ARG 223 N 1.19 0.77 0.00 1.13 9.65 -0.89 -0.75 114.38 125.47 1a53 h ARG 223 Ca 0.43 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 1a53 h ARG 223 Cb 0.15 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1a53 h ARG 223 CO -0.17 0.51 0.00 1.57 2.80 0.00 0.00 179.97 184.69 1a53 h LYS 224 N 0.79 0.00 -0.00 0.20 2.10 -0.98 -2.30 116.57 116.37 1a53 h LYS 224 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1a53 h LYS 224 Cb -0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1a53 h LYS 224 CO -0.04 0.00 -0.11 1.28 -2.00 0.00 0.00 179.45 178.57 1a53 n LEU 225 N -2.59 0.51 0.00 7.07 4.32 -0.31 -4.92 117.00 121.09 1a53 n LEU 225 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1a53 n LEU 225 Cb 0.33 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1a53 n LEU 225 CO 0.26 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1a53 n GLY 226 N 1.28 0.61 3.73 -0.72 0.00 -0.87 -4.76 105.19 104.46 1a53 n GLY 226 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1a53 n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a53 s VAL 227 N -2.00 2.46 -0.04 1.61 1.01 -1.11 -4.80 120.40 117.53 1a53 s VAL 227 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1a53 s VAL 227 Cb 0.00 -3.23 -0.25 0.00 0.00 0.00 0.00 36.38 32.90 1a53 s VAL 227 CO 0.00 0.04 0.69 0.78 0.00 0.00 0.00 175.10 176.61 1a53 h ASN 228 N 5.84 0.24 -5.25 3.32 4.21 -1.56 -3.41 115.58 118.97 1a53 h ASN 228 Ca -0.45 -0.43 -0.10 0.00 1.21 0.00 0.00 56.30 56.53 1a53 h ASN 228 Cb 1.21 -0.08 -0.13 0.00 -1.12 0.00 0.00 38.32 38.20 1a53 h ASN 228 CO 0.85 1.38 -0.36 0.00 -1.29 0.00 0.00 177.43 178.00 1a53 s ALA 229 N -2.60 0.01 -0.07 -0.83 0.00 -0.81 -4.44 121.76 113.02 1a53 s ALA 229 Ca -0.10 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1a53 s ALA 229 Cb 0.07 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1a53 s ALA 229 CO 0.82 -0.59 -0.12 -0.06 0.00 0.00 0.00 175.76 175.81 1a53 s PHE 230 N -3.94 1.48 -0.34 0.00 0.40 -0.37 -1.11 117.98 114.10 1a53 s PHE 230 Ca 0.14 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.79 1a53 s PHE 230 Cb 0.04 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.47 1a53 s PHE 230 CO -0.03 -0.30 0.21 -1.17 0.70 0.00 0.00 175.22 174.63 1a53 s LEU 231 N 0.75 4.44 -0.10 -0.37 0.20 -0.04 0.10 118.68 123.67 1a53 s LEU 231 Ca -0.13 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.20 1a53 s LEU 231 Cb -0.16 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.52 1a53 s LEU 231 CO 0.03 -0.25 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.02 1a53 s ILE 232 N 1.68 1.70 0.00 6.68 1.01 -0.54 -3.70 121.20 128.03 1a53 s ILE 232 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1a53 s ILE 232 Cb -0.17 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1a53 s ILE 232 CO 0.09 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1a53 n GLY 233 N 3.85 0.16 0.25 6.18 0.00 -1.26 -1.02 105.19 113.35 1a53 n GLY 233 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1a53 n GLY 233 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a53 h SER 234 N 0.00 -0.51 -0.31 1.61 0.02 -1.92 0.04 113.55 112.48 1a53 h SER 234 Ca 0.00 0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1a53 h SER 234 Cb 0.00 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1a53 h SER 234 CO 0.00 -0.19 -0.08 0.77 -1.14 0.00 0.00 176.83 176.19 1a53 h SER 235 N 0.03 0.70 0.53 3.07 4.64 -1.92 -2.05 113.55 118.55 1a53 h SER 235 Ca 0.33 -0.19 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1a53 h SER 235 Cb 0.52 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1a53 h SER 235 CO -0.64 0.82 -0.77 -0.07 -0.87 0.00 0.00 176.83 175.30 1a53 h LEU 236 N 0.66 0.23 -0.70 5.97 3.38 -1.58 -1.28 115.31 121.98 1a53 h LEU 236 Ca 0.12 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1a53 h LEU 236 Cb 0.52 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1a53 h LEU 236 CO 0.03 0.91 -0.23 0.24 0.09 0.00 0.00 178.44 179.47 1a53 h MET 237 N 0.12 0.75 -0.01 1.13 2.86 -0.76 -1.23 114.93 117.78 1a53 h MET 237 Ca -0.03 -0.30 -0.21 0.00 -2.06 0.00 0.00 59.70 57.10 1a53 h MET 237 Cb 1.34 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 1a53 h MET 237 CO 0.12 0.91 -0.88 0.00 1.06 0.00 0.00 176.91 178.12 1a53 h ARG 238 N 0.65 0.34 -1.98 1.72 3.08 -1.38 -3.42 114.38 113.38 1a53 h ARG 238 Ca 0.09 -0.34 -0.41 0.00 0.07 0.00 0.00 59.98 59.39 1a53 h ARG 238 Cb 0.74 0.09 -0.31 0.00 0.08 0.00 0.00 29.97 30.57 1a53 h ARG 238 CO 0.06 1.03 -0.74 1.21 -1.07 0.00 0.00 179.97 180.46 1a53 s ASN 239 N -7.01 1.09 0.48 7.04 3.84 -0.49 -5.01 114.94 114.89 1a53 s ASN 239 Ca -0.05 -1.95 0.22 0.00 0.21 0.00 0.00 52.86 51.29 1a53 s ASN 239 Cb 0.10 0.43 1.24 0.00 -0.55 0.00 0.00 41.25 42.46 1a53 s ASN 239 CO 0.85 -0.22 1.93 -0.65 -2.79 0.00 0.00 177.10 176.21 1a53 h PRO 240 N 6.55 0.21 0.00 0.43 0.11 -1.46 -1.76 132.00 136.08 1a53 h PRO 240 Ca 0.10 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1a53 h PRO 240 Cb 1.03 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1a53 h PRO 240 CO 0.22 0.14 -0.03 0.93 -0.21 0.00 0.00 178.00 179.04 1a53 h GLU 241 N 0.21 0.00 -0.19 1.05 4.39 -1.94 -2.49 114.58 115.62 1a53 h GLU 241 Ca 0.36 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.11 1a53 h GLU 241 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1a53 h GLU 241 CO -0.07 0.03 0.27 0.87 -1.16 0.00 0.00 179.01 178.95 1a53 h LYS 242 N 0.00 0.00 -0.52 2.33 1.79 -1.66 -1.27 116.57 117.24 1a53 h LYS 242 Ca -0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1a53 h LYS 242 Cb 0.07 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1a53 h LYS 242 CO 0.00 0.00 0.36 0.97 -1.08 0.00 0.00 179.45 179.71 1a53 h ILE 243 N 0.00 0.83 -0.21 1.86 6.09 -1.66 0.52 117.51 124.95 1a53 h ILE 243 Ca 0.09 -0.07 -0.10 0.00 -1.37 0.00 0.00 64.86 63.41 1a53 h ILE 243 Cb 0.62 0.61 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 1a53 h ILE 243 CO -0.00 0.04 -0.31 0.11 -3.07 0.00 0.00 178.15 174.91 1a53 h LYS 244 N 0.20 0.43 -0.16 2.19 1.57 -1.47 -2.64 116.57 116.70 1a53 h LYS 244 Ca 0.25 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 1a53 h LYS 244 Cb 0.70 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.00 1a53 h LYS 244 CO -0.04 0.70 -0.60 0.93 -0.57 0.00 0.00 179.45 179.87 1a53 h GLU 245 N 0.37 0.68 -0.50 3.15 5.08 -1.09 -3.32 114.58 118.97 1a53 h GLU 245 Ca 0.05 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1a53 h GLU 245 Cb 0.73 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1a53 h GLU 245 CO 0.06 1.14 0.25 0.74 -1.00 0.00 0.00 179.01 180.20 1a53 h PHE 246 N 0.37 0.67 -0.36 4.33 0.04 -1.14 -3.01 116.94 117.84 1a53 h PHE 246 Ca -0.03 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1a53 h PHE 246 Cb 1.23 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1a53 h PHE 246 CO 0.10 0.49 0.00 0.44 -0.60 0.00 0.00 178.31 178.74 1a53 n ILE 247 N -4.39 1.02 1.90 -0.55 -5.35 -1.01 -4.96 119.36 106.03 1a53 n ILE 247 Ca 0.04 -0.65 0.16 0.00 -0.27 0.00 0.00 62.75 62.03 1a53 n ILE 247 Cb 0.12 -0.06 0.87 0.00 -1.74 0.00 0.00 39.64 38.83 1a53 n ILE 247 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97