#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr5 s PRO 4 N 0.00 4.20 -0.01 1.20 0.02 -1.26 -4.82 135.00 134.32 1nr5 s PRO 4 Ca 0.00 1.15 -0.25 0.00 0.02 0.00 0.00 61.00 61.92 1nr5 s PRO 4 Cb 0.00 -3.66 -0.04 0.00 0.02 0.00 0.00 34.50 30.82 1nr5 s PRO 4 CO 0.00 -0.63 0.78 0.99 -0.33 0.00 0.00 177.00 177.81 1nr5 s THR 5 N 3.13 4.88 -0.06 0.99 2.01 -0.30 -4.90 115.64 121.38 1nr5 s THR 5 Ca 0.41 1.64 0.04 0.00 0.31 0.00 0.00 61.69 64.09 1nr5 s THR 5 Cb -0.15 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1nr5 s THR 5 CO 0.08 0.28 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.58 1nr5 s LYS 6 N 0.48 2.65 -0.03 4.92 1.02 -1.26 -1.04 119.74 126.48 1nr5 s LYS 6 Ca 0.41 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.69 1nr5 s LYS 6 Cb -0.20 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1nr5 s LYS 6 CO 0.22 0.49 -0.18 0.42 -0.92 0.00 0.00 175.35 175.39 1nr5 s ILE 7 N -0.41 1.43 0.08 2.17 1.01 -0.26 -5.02 121.20 120.21 1nr5 s ILE 7 Ca 0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1nr5 s ILE 7 Cb -0.12 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 1nr5 s ILE 7 CO 0.02 0.41 0.39 -0.44 0.00 0.00 0.00 174.94 175.32 1nr5 s SER 8 N -0.15 6.62 -0.14 3.58 0.01 -1.26 -2.34 113.70 120.03 1nr5 s SER 8 Ca 0.01 0.76 -0.08 0.00 1.31 0.00 0.00 55.95 57.95 1nr5 s SER 8 Cb -0.10 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 64.02 1nr5 s SER 8 CO 0.01 0.17 0.33 -0.51 0.41 0.00 0.00 173.24 173.65 1nr5 s ILE 9 N -1.41 -0.03 -1.37 1.44 2.07 0.75 -4.83 121.20 117.82 1nr5 s ILE 9 Ca 0.33 0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.63 1nr5 s ILE 9 Cb -0.14 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 41.98 1nr5 s ILE 9 CO 0.18 0.04 0.80 0.18 -1.91 0.00 0.00 174.94 174.24 1nr5 n LEU 10 N 4.07 -2.97 -0.04 8.50 4.77 -1.26 -1.88 117.00 128.20 1nr5 n LEU 10 Ca -0.23 -0.80 -0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1nr5 n LEU 10 Cb 0.55 -2.65 -0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1nr5 n LEU 10 CO 0.12 0.43 -0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1nr5 n GLY 11 N -1.62 0.33 3.03 -0.72 0.00 -1.26 -5.00 105.19 99.94 1nr5 n GLY 11 Ca -0.19 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 1nr5 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nr5 s ARG 12 N -0.96 0.67 -1.28 1.61 6.06 -0.79 -5.06 118.95 119.21 1nr5 s ARG 12 Ca 0.00 -0.38 -0.13 0.00 -2.50 0.00 0.00 55.73 52.72 1nr5 s ARG 12 Cb 0.00 -0.63 0.14 0.00 0.06 0.00 0.00 34.95 34.52 1nr5 s ARG 12 CO 0.00 0.17 1.72 -1.91 -2.50 0.00 0.00 175.30 172.78 1nr5 n GLU 13 N 2.64 3.38 -0.00 5.12 2.13 -1.26 -0.17 120.64 132.47 1nr5 n GLU 13 Ca -0.15 -3.52 0.09 0.00 0.66 0.00 0.00 57.16 54.25 1nr5 n GLU 13 Cb 0.57 -3.09 -0.11 0.00 0.27 0.00 0.00 31.44 29.07 1nr5 n GLU 13 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1nr5 n SER 14 N 5.46 0.87 -4.62 4.31 3.41 -1.21 -4.90 113.62 116.93 1nr5 n SER 14 Ca 0.41 -0.86 -0.38 0.00 -0.26 0.00 0.00 58.87 57.78 1nr5 n SER 14 Cb 0.40 1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 65.35 1nr5 n SER 14 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nr5 s ILE 15 N -2.88 5.29 -0.14 -1.33 1.01 -0.99 -0.90 121.20 121.25 1nr5 s ILE 15 Ca 0.06 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1nr5 s ILE 15 Cb 0.14 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1nr5 s ILE 15 CO 0.80 0.26 -0.19 -0.63 0.00 0.00 0.00 174.94 175.18 1nr5 s ILE 16 N 1.60 1.87 -0.04 2.92 1.09 -0.41 -1.10 121.20 127.12 1nr5 s ILE 16 Ca 0.10 -0.85 0.02 0.00 -1.10 0.00 0.00 60.65 58.82 1nr5 s ILE 16 Cb -0.15 -1.68 0.01 0.00 -1.06 0.00 0.00 42.46 39.57 1nr5 s ILE 16 CO 0.09 0.51 -0.10 0.00 -0.10 0.00 0.00 174.94 175.34 1nr5 s ALA 17 N 1.04 1.02 0.00 9.38 0.00 -0.20 -0.39 121.76 132.60 1nr5 s ALA 17 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1nr5 s ALA 17 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1nr5 s ALA 17 CO -0.05 0.13 0.00 -3.47 0.00 0.00 0.00 175.76 172.37 1nr5 n ASP 18 N 3.48 0.00 -4.73 0.00 2.03 -0.61 -1.15 116.55 115.58 1nr5 n ASP 18 Ca -0.20 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.73 1nr5 n ASP 18 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1nr5 n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1nr5 s PHE 19 N -2.00 3.54 0.00 -0.67 0.08 -1.26 -2.52 117.98 115.15 1nr5 s PHE 19 Ca 0.00 0.97 0.00 0.00 0.12 0.00 0.00 56.93 58.02 1nr5 s PHE 19 Cb 0.00 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1nr5 s PHE 19 CO 0.00 0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 1nr5 n GLY 20 N 3.12 0.63 0.37 4.36 0.00 -1.26 -4.96 105.19 107.45 1nr5 n GLY 20 Ca -0.06 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1nr5 n GLY 20 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nr5 h LEU 21 N 0.00 0.90 -0.35 0.99 3.38 -1.91 -2.74 115.31 115.57 1nr5 h LEU 21 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1nr5 h LEU 21 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1nr5 h LEU 21 CO 0.00 0.57 0.14 -0.25 0.09 0.00 0.00 178.44 178.99 1nr5 h TRP 22 N 1.02 0.54 -0.18 1.13 -0.00 -1.93 -0.29 115.95 116.25 1nr5 h TRP 22 Ca 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 59.22 1nr5 h TRP 22 Cb 0.23 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.22 1nr5 h TRP 22 CO -0.00 0.51 -0.00 0.00 -0.00 0.00 0.00 178.44 178.94 1nr5 h ARG 23 N 0.42 0.31 -1.58 2.65 3.08 -1.90 -3.40 114.38 113.97 1nr5 h ARG 23 Ca 0.12 -0.10 -0.44 0.00 0.07 0.00 0.00 59.98 59.63 1nr5 h ARG 23 Cb 0.20 -0.03 -0.40 0.00 0.08 0.00 0.00 29.97 29.82 1nr5 h ARG 23 CO -0.01 0.53 -1.16 0.27 -1.07 0.00 0.00 179.97 178.54 1nr5 n ASN 24 N -4.72 1.38 0.06 7.04 2.04 -1.06 -4.91 115.26 115.11 1nr5 n ASN 24 Ca -0.05 -2.94 0.00 0.00 -0.44 0.00 0.00 54.58 51.15 1nr5 n ASN 24 Cb 0.23 -0.57 0.00 0.00 -2.53 0.00 0.00 39.78 36.90 1nr5 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nr5 n TYR 25 N 0.09 -3.07 0.03 -2.53 4.19 -0.56 -4.94 117.16 110.37 1nr5 n TYR 25 Ca 0.19 0.43 -0.10 0.00 3.31 0.00 0.00 57.90 61.73 1nr5 n TYR 25 Cb 0.71 1.44 -0.04 0.00 0.49 0.00 0.00 39.34 41.95 1nr5 n TYR 25 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1nr5 h VAL 26 N 0.00 0.55 -0.04 2.97 2.07 -1.32 -0.86 116.25 119.62 1nr5 h VAL 26 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1nr5 h VAL 26 Cb 0.00 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1nr5 h VAL 26 CO 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.33 1nr5 h ALA 27 N 0.69 -0.33 -0.62 1.67 0.00 -1.85 0.89 119.26 119.70 1nr5 h ALA 27 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nr5 h ALA 27 Cb 0.37 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1nr5 h ALA 27 CO -0.21 -0.76 0.38 -0.22 0.00 0.00 0.00 179.25 178.45 1nr5 h LYS 28 N -0.38 0.73 -0.41 0.00 3.64 -1.84 -2.01 116.57 116.30 1nr5 h LYS 28 Ca 0.07 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1nr5 h LYS 28 Cb 0.49 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1nr5 h LYS 28 CO -0.26 0.48 -0.08 0.22 -2.27 0.00 0.00 179.45 177.55 1nr5 h ASP 29 N 0.75 0.69 -0.02 4.20 3.58 -0.76 -2.84 116.42 122.02 1nr5 h ASP 29 Ca 0.25 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1nr5 h ASP 29 Cb 0.02 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1nr5 h ASP 29 CO -0.10 0.81 0.01 -0.07 -2.88 0.00 0.00 179.24 177.01 1nr5 h LEU 30 N 0.65 0.04 -2.09 2.28 3.38 -0.39 0.61 115.31 119.79 1nr5 h LEU 30 Ca 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1nr5 h LEU 30 Cb 0.52 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nr5 h LEU 30 CO 0.03 0.23 -0.00 0.40 0.09 0.00 0.00 178.44 179.19 1nr5 h ILE 31 N -0.16 0.90 0.04 1.22 1.08 -1.31 -0.64 117.51 118.64 1nr5 h ILE 31 Ca 0.01 -0.01 -0.37 0.00 -0.39 0.00 0.00 64.86 64.10 1nr5 h ILE 31 Cb 0.21 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1nr5 h ILE 31 CO -0.00 0.00 -2.14 -1.54 -0.69 0.00 0.00 178.15 173.79 1nr5 n SER 32 N -4.40 2.00 0.13 1.72 3.41 -1.08 -4.09 113.62 111.31 1nr5 n SER 32 Ca -0.03 0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 1nr5 n SER 32 Cb 0.09 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 63.37 1nr5 n SER 32 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nr5 h ASP 33 N -0.36 0.00 -1.81 4.04 5.19 -0.92 -3.37 116.42 119.20 1nr5 h ASP 33 Ca -0.52 -0.02 -0.51 0.00 -0.62 0.00 0.00 57.03 55.36 1nr5 h ASP 33 Cb 1.78 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.88 1nr5 h ASP 33 CO -0.13 0.01 -0.94 0.00 -3.12 0.00 0.00 179.24 175.06 1nr5 n SER 35 N -0.09 2.59 -3.63 0.00 2.88 -1.23 -4.67 113.62 109.47 1nr5 n SER 35 Ca 0.26 1.10 -0.06 0.00 -1.33 0.00 0.00 58.87 58.85 1nr5 n SER 35 Cb 0.61 -1.36 -0.02 0.00 -0.75 0.00 0.00 64.21 62.69 1nr5 n SER 35 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nr5 s SER 36 N 0.66 -0.27 0.15 -3.46 0.15 -1.26 -5.03 113.70 104.64 1nr5 s SER 36 Ca 0.78 -0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.46 1nr5 s SER 36 Cb -0.75 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.02 1nr5 s SER 36 CO 0.42 -0.76 1.03 0.35 1.20 0.00 0.00 173.24 175.49 1nr5 n THR 37 N -0.36 0.46 -3.76 6.45 -2.24 -1.26 -4.67 114.28 108.89 1nr5 n THR 37 Ca -0.08 -0.46 -0.23 0.00 -2.27 0.00 0.00 64.05 61.01 1nr5 n THR 37 Cb 0.61 -0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 68.47 1nr5 n THR 37 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nr5 s THR 38 N -3.33 0.36 -0.15 4.28 2.01 -1.26 -1.13 115.64 116.42 1nr5 s THR 38 Ca 0.00 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 1nr5 s THR 38 Cb 0.11 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1nr5 s THR 38 CO 0.79 0.21 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.57 1nr5 s TYR 39 N 1.97 2.97 -0.21 4.92 1.51 0.31 -1.37 117.35 127.45 1nr5 s TYR 39 Ca 0.05 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1nr5 s TYR 39 Cb -0.13 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1nr5 s TYR 39 CO -0.05 -0.09 -0.15 0.08 -1.11 0.00 0.00 175.55 174.22 1nr5 s VAL 40 N 0.38 2.25 -0.23 0.71 1.01 -0.16 0.07 120.40 124.42 1nr5 s VAL 40 Ca -0.06 -1.10 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 1nr5 s VAL 40 Cb -0.15 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1nr5 s VAL 40 CO 0.04 0.35 0.15 -0.22 0.00 0.00 0.00 175.10 175.42 1nr5 s LEU 41 N 1.26 4.09 -0.13 3.92 0.20 0.13 0.38 118.68 128.53 1nr5 s LEU 41 Ca 0.01 0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.96 1nr5 s LEU 41 Cb -0.15 -2.09 -0.00 0.00 -0.43 0.00 0.00 46.19 43.51 1nr5 s LEU 41 CO -0.10 0.08 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.17 1nr5 s VAL 42 N 0.96 2.44 0.30 1.68 1.01 -0.18 -0.47 120.40 126.13 1nr5 s VAL 42 Ca 0.07 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1nr5 s VAL 42 Cb -0.13 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1nr5 s VAL 42 CO 0.04 0.54 0.53 0.28 0.00 0.00 0.00 175.10 176.49 1nr5 s THR 43 N 0.58 0.00 0.42 3.92 -1.32 -0.72 -1.62 115.64 116.89 1nr5 s THR 43 Ca -0.11 -1.39 0.08 0.00 -1.21 0.00 0.00 61.69 59.06 1nr5 s THR 43 Cb -0.16 -2.45 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1nr5 s THR 43 CO 0.04 0.00 0.48 1.51 -2.21 0.00 0.00 174.62 174.44 1nr5 s ASP 44 N -3.09 5.34 0.37 8.08 1.47 -1.26 -0.50 116.67 127.09 1nr5 s ASP 44 Ca 0.24 -0.59 0.04 0.00 1.18 0.00 0.00 52.55 53.41 1nr5 s ASP 44 Cb -0.01 -0.59 0.73 0.00 -0.34 0.00 0.00 42.92 42.71 1nr5 s ASP 44 CO 0.13 -0.72 2.03 0.71 0.68 0.00 0.00 175.17 177.99 1nr5 h THR 45 N 0.82 1.14 0.44 2.11 1.35 -1.30 0.11 112.91 117.58 1nr5 h THR 45 Ca -0.40 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1nr5 h THR 45 Cb 1.27 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1nr5 h THR 45 CO 0.51 0.14 -0.21 0.78 -0.25 0.00 0.00 175.52 176.48 1nr5 h ASN 46 N 0.72 -0.50 -0.12 5.36 2.35 -1.96 -3.22 115.58 118.21 1nr5 h ASN 46 Ca 0.19 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1nr5 h ASN 46 Cb -0.07 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1nr5 h ASN 46 CO -0.04 -0.33 -0.17 0.40 -1.65 0.00 0.00 177.43 175.63 1nr5 h ILE 47 N -0.63 1.37 -0.77 2.81 2.04 -1.94 -3.34 117.51 117.05 1nr5 h ILE 47 Ca -0.06 -1.40 0.10 0.00 1.00 0.00 0.00 64.86 64.50 1nr5 h ILE 47 Cb 0.47 2.01 -0.12 0.00 -0.74 0.00 0.00 36.82 38.44 1nr5 h ILE 47 CO 0.10 0.41 -0.46 1.23 0.00 0.00 0.00 178.15 179.42 1nr5 h GLY 48 N -0.08 -0.44 2.00 5.37 0.00 -0.84 0.85 103.07 109.92 1nr5 h GLY 48 Ca 0.01 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 1nr5 h GLY 48 CO 0.04 -0.12 -0.04 1.48 0.00 0.00 0.00 176.54 177.90 1nr5 h SER 49 N -0.13 0.00 0.22 0.19 4.64 -1.68 -1.00 113.55 115.79 1nr5 h SER 49 Ca 0.21 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.18 1nr5 h SER 49 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1nr5 h SER 49 CO -0.82 0.04 -1.78 0.40 -0.87 0.00 0.00 176.83 173.80 1nr5 h ILE 50 N 0.00 0.88 0.00 0.95 2.04 -1.19 -3.44 117.51 116.75 1nr5 h ILE 50 Ca -0.00 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1nr5 h ILE 50 Cb 0.09 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1nr5 h ILE 50 CO 0.01 0.85 -0.89 -1.22 0.00 0.00 0.00 178.15 176.89 1nr5 n TYR 51 N -3.52 0.00 -0.15 1.37 4.01 0.11 -4.74 117.16 114.24 1nr5 n TYR 51 Ca -0.25 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.38 1nr5 n TYR 51 Cb 1.06 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 40.01 1nr5 n TYR 51 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1nr5 h THR 52 N 0.00 1.27 -0.61 -0.72 2.02 -1.36 -3.29 112.91 110.22 1nr5 h THR 52 Ca 0.00 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.05 1nr5 h THR 52 Cb 0.17 1.15 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 1nr5 h THR 52 CO 0.00 0.41 -0.55 -0.65 0.37 0.00 0.00 175.52 175.09 1nr5 h PRO 53 N 0.67 -0.25 0.00 6.66 0.11 -1.85 0.60 132.00 137.94 1nr5 h PRO 53 Ca 0.11 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1nr5 h PRO 53 Cb 0.63 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1nr5 h PRO 53 CO 0.04 -0.17 -0.09 0.66 -0.21 0.00 0.00 178.00 178.24 1nr5 h SER 54 N -0.26 0.00 0.03 -2.05 4.64 -1.89 -2.54 113.55 111.48 1nr5 h SER 54 Ca 0.11 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.16 1nr5 h SER 54 Cb 0.54 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1nr5 h SER 54 CO -0.71 0.09 -1.08 0.15 -0.87 0.00 0.00 176.83 174.40 1nr5 h PHE 55 N 0.00 1.04 -0.68 4.77 3.57 -1.05 -1.54 116.94 123.04 1nr5 h PHE 55 Ca -0.00 -0.58 0.09 0.00 3.53 0.00 0.00 57.97 61.01 1nr5 h PHE 55 Cb 0.19 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 1nr5 h PHE 55 CO 0.00 1.42 0.32 0.93 -2.23 0.00 0.00 178.31 178.76 1nr5 h GLU 56 N 0.36 0.54 0.82 1.11 5.08 -0.57 0.33 114.58 122.25 1nr5 h GLU 56 Ca -0.14 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1nr5 h GLU 56 Cb 1.74 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.87 1nr5 h GLU 56 CO 0.21 0.36 -0.42 1.49 -1.00 0.00 0.00 179.01 179.65 1nr5 h GLU 57 N 0.56 -1.08 -0.90 2.33 4.57 -1.47 -0.08 114.58 118.51 1nr5 h GLU 57 Ca 0.34 0.07 0.19 0.00 -1.18 0.00 0.00 59.36 58.78 1nr5 h GLU 57 Cb 0.37 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 29.13 1nr5 h GLU 57 CO -0.27 -0.72 0.59 0.00 -1.18 0.00 0.00 179.01 177.42 1nr5 h ALA 58 N -1.43 2.12 0.53 2.92 0.00 -0.95 -1.40 119.26 121.05 1nr5 h ALA 58 Ca -0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1nr5 h ALA 58 Cb 0.87 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1nr5 h ALA 58 CO 0.17 -0.40 -0.25 0.35 0.00 0.00 0.00 179.25 179.12 1nr5 h PHE 59 N 0.47 -0.66 -0.77 0.00 3.57 0.03 -2.70 116.94 116.88 1nr5 h PHE 59 Ca 0.47 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 62.11 1nr5 h PHE 59 Cb 1.08 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.99 1nr5 h PHE 59 CO -0.00 -0.33 0.51 0.00 -2.23 0.00 0.00 178.31 176.26 1nr5 h ARG 60 N -1.02 0.38 -0.58 1.11 3.08 -0.49 0.26 114.38 117.11 1nr5 h ARG 60 Ca -0.07 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1nr5 h ARG 60 Cb 0.62 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1nr5 h ARG 60 CO 0.12 0.25 0.05 -0.22 -1.07 0.00 0.00 179.97 179.10 1nr5 h LYS 61 N 0.39 0.96 0.00 0.04 3.64 -1.21 -1.91 116.57 118.48 1nr5 h LYS 61 Ca 0.38 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1nr5 h LYS 61 Cb 0.91 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1nr5 h LYS 61 CO -0.12 0.92 -1.14 0.00 -2.27 0.00 0.00 179.45 176.83 1nr5 h ARG 62 N 0.90 0.00 0.00 1.90 2.47 -0.55 -3.33 114.38 115.77 1nr5 h ARG 62 Ca 0.18 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.74 1nr5 h ARG 62 Cb 0.45 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1nr5 h ARG 62 CO 0.02 0.38 -0.76 0.00 0.56 0.00 0.00 179.97 180.16 1nr5 h ALA 63 N 1.42 0.70 -0.88 0.04 0.00 -0.54 -3.22 119.26 116.79 1nr5 h ALA 63 Ca -0.11 -0.69 0.16 0.00 0.00 0.00 0.00 54.91 54.26 1nr5 h ALA 63 Cb 1.54 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1nr5 h ALA 63 CO 0.06 0.95 0.46 0.00 0.00 0.00 0.00 179.25 180.72 1nr5 h ALA 64 N 1.24 1.35 -0.98 0.00 0.00 -1.45 0.11 119.26 119.53 1nr5 h ALA 64 Ca -0.01 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.14 1nr5 h ALA 64 Cb 1.38 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1nr5 h ALA 64 CO 0.10 -0.10 0.62 1.49 0.00 0.00 0.00 179.25 181.35 1nr5 h GLU 65 N 0.63 0.83 -6.60 0.00 4.57 -1.74 -3.43 114.58 108.84 1nr5 h GLU 65 Ca 0.49 -0.05 -0.51 0.00 -1.18 0.00 0.00 59.36 58.10 1nr5 h GLU 65 Cb 0.72 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1nr5 h GLU 65 CO -0.38 0.55 0.15 0.42 -1.18 0.00 0.00 179.01 178.57 1nr5 s ILE 66 N -5.86 4.49 -0.03 2.32 1.09 0.39 -5.07 121.20 118.53 1nr5 s ILE 66 Ca -0.11 1.42 -0.01 0.00 -1.10 0.00 0.00 60.65 60.84 1nr5 s ILE 66 Cb 0.23 -3.92 0.03 0.00 -1.06 0.00 0.00 42.46 37.74 1nr5 s ILE 66 CO 0.80 0.25 0.04 0.28 -0.10 0.00 0.00 174.94 176.21 1nr5 s THR 67 N -1.47 -0.03 0.57 2.92 -1.32 -1.26 -2.65 115.64 112.40 1nr5 s THR 67 Ca 0.43 0.30 -0.18 0.00 -1.21 0.00 0.00 61.69 61.02 1nr5 s THR 67 Cb -0.18 -0.17 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 1nr5 s THR 67 CO 0.22 0.15 1.09 -2.16 -2.21 0.00 0.00 174.62 171.71 1nr5 s PRO 68 N 1.64 3.33 0.23 7.08 0.04 -1.26 -5.10 135.00 140.97 1nr5 s PRO 68 Ca -0.02 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1nr5 s PRO 68 Cb -0.13 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1nr5 s PRO 68 CO -0.03 -0.83 1.22 -1.12 0.04 0.00 0.00 177.00 176.28 1nr5 s SER 69 N -2.23 7.03 0.57 6.66 0.01 -1.08 -5.02 113.70 119.64 1nr5 s SER 69 Ca 0.68 2.35 -0.17 0.00 1.31 0.00 0.00 55.95 60.13 1nr5 s SER 69 Cb -0.20 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.37 1nr5 s SER 69 CO 0.31 -0.38 1.07 -2.16 0.41 0.00 0.00 173.24 172.48 1nr5 s PRO 70 N -0.74 3.36 0.15 12.44 0.04 -1.26 -5.05 135.00 143.94 1nr5 s PRO 70 Ca 0.51 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1nr5 s PRO 70 Cb -0.34 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1nr5 s PRO 70 CO 0.41 -0.79 0.23 -0.98 0.04 0.00 0.00 177.00 175.91 1nr5 s ARG 71 N -3.83 3.25 -0.18 4.56 1.70 -0.28 -4.99 118.95 119.17 1nr5 s ARG 71 Ca 0.66 -0.68 0.01 0.00 -0.47 0.00 0.00 55.73 55.24 1nr5 s ARG 71 Cb -0.17 -2.86 0.03 0.00 -0.57 0.00 0.00 34.95 31.38 1nr5 s ARG 71 CO 0.33 0.52 -0.14 -1.17 -1.08 0.00 0.00 175.30 173.76 1nr5 s LEU 72 N -3.13 2.13 -0.13 -1.89 2.96 -1.26 -0.53 118.68 116.83 1nr5 s LEU 72 Ca 0.33 -0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1nr5 s LEU 72 Cb -0.11 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1nr5 s LEU 72 CO 0.27 -0.08 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.40 1nr5 s LEU 73 N 1.38 3.20 -0.08 -0.68 1.43 0.11 -4.98 118.68 119.06 1nr5 s LEU 73 Ca 0.02 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1nr5 s LEU 73 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1nr5 s LEU 73 CO -0.10 0.22 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 1nr5 s ILE 74 N 0.06 3.25 -0.10 -0.59 1.01 -1.26 0.22 121.20 123.79 1nr5 s ILE 74 Ca -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1nr5 s ILE 74 Cb -0.14 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1nr5 s ILE 74 CO 0.03 0.57 -0.10 -0.47 0.00 0.00 0.00 174.94 174.97 1nr5 s TYR 75 N -0.44 1.53 -0.24 3.97 6.14 0.38 -4.95 117.35 123.74 1nr5 s TYR 75 Ca 0.06 -0.70 -0.06 0.00 0.64 0.00 0.00 57.07 57.01 1nr5 s TYR 75 Cb -0.12 -1.20 -0.02 0.00 0.42 0.00 0.00 41.96 41.04 1nr5 s TYR 75 CO 0.02 -0.43 0.02 -0.80 0.64 0.00 0.00 175.55 175.00 1nr5 s ASN 76 N 1.27 4.77 0.29 4.32 -0.87 -1.26 -1.76 114.94 121.71 1nr5 s ASN 76 Ca -0.03 -0.31 0.08 0.00 -1.57 0.00 0.00 52.86 51.04 1nr5 s ASN 76 Cb -0.14 -1.84 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 1nr5 s ASN 76 CO -0.04 -0.03 0.17 -0.13 -2.57 0.00 0.00 177.10 174.50 1nr5 s ARG 77 N 1.55 2.65 0.13 -0.60 1.81 0.35 -4.81 118.95 120.04 1nr5 s ARG 77 Ca 0.06 -1.27 -0.31 0.00 -1.72 0.00 0.00 55.73 52.50 1nr5 s ARG 77 Cb -0.15 -2.39 -0.08 0.00 -0.45 0.00 0.00 34.95 31.88 1nr5 s ARG 77 CO 0.01 0.27 1.32 -2.14 -0.68 0.00 0.00 175.30 174.08 1nr5 s PRO 78 N -3.84 4.37 0.69 3.54 0.02 -1.26 -0.84 135.00 137.68 1nr5 s PRO 78 Ca 0.35 2.00 -0.14 0.00 0.02 0.00 0.00 61.00 63.23 1nr5 s PRO 78 Cb -0.06 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.23 1nr5 s PRO 78 CO 0.24 -0.33 1.13 -1.25 -0.33 0.00 0.00 177.00 176.45 1nr5 s PRO 79 N 0.65 2.58 0.00 5.54 0.04 -1.26 -4.54 135.00 138.01 1nr5 s PRO 79 Ca 0.60 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1nr5 s PRO 79 Cb -0.35 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1nr5 s PRO 79 CO 0.33 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.35 1nr5 n GLY 80 N -0.41 2.45 0.37 0.56 0.00 -1.26 -4.70 105.19 102.21 1nr5 n GLY 80 Ca 0.11 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.38 1nr5 n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nr5 h GLU 81 N 0.00 0.00 -0.02 1.61 4.57 -1.94 -1.24 114.58 117.56 1nr5 h GLU 81 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1nr5 h GLU 81 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1nr5 h GLU 81 CO 0.00 0.00 -0.16 -0.39 -1.18 0.00 0.00 179.01 177.28 1nr5 h VAL 82 N 0.00 1.13 0.00 0.32 -1.51 -1.92 -2.28 116.25 111.98 1nr5 h VAL 82 Ca 0.12 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1nr5 h VAL 82 Cb 1.20 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1nr5 h VAL 82 CO -0.00 0.17 0.00 0.28 -1.23 0.00 0.00 177.57 176.79 1nr5 h SER 83 N 0.03 0.00 0.00 4.19 0.02 -1.46 -3.35 113.55 112.98 1nr5 h SER 83 Ca 0.01 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.26 1nr5 h SER 83 Cb 0.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1nr5 h SER 83 CO 0.02 0.00 3.05 0.29 -1.14 0.00 0.00 176.83 179.05 1nr5 n LYS 84 N -2.91 2.69 -4.19 3.45 5.02 -0.86 -4.52 118.16 116.85 1nr5 n LYS 84 Ca 0.03 -2.47 -0.11 0.00 -2.02 0.00 0.00 58.31 53.73 1nr5 n LYS 84 Cb 0.39 -3.21 -0.10 0.00 -0.02 0.00 0.00 35.03 32.09 1nr5 n LYS 84 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nr5 s SER 85 N 3.41 0.71 0.29 4.39 1.04 -1.26 -1.18 113.70 121.09 1nr5 s SER 85 Ca 0.49 -1.19 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 1nr5 s SER 85 Cb 0.14 0.21 0.40 0.00 0.10 0.00 0.00 66.02 66.88 1nr5 s SER 85 CO -0.06 -0.66 1.95 0.03 0.98 0.00 0.00 173.24 175.48 1nr5 h ARG 86 N 2.80 1.12 -0.25 4.02 3.08 -1.88 -2.31 114.38 120.95 1nr5 h ARG 86 Ca -0.36 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 1nr5 h ARG 86 Cb 1.20 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1nr5 h ARG 86 CO 0.61 0.76 0.12 0.37 -1.07 0.00 0.00 179.97 180.76 1nr5 h GLN 87 N 1.14 0.36 -0.65 0.04 5.75 -1.93 -0.72 115.11 119.11 1nr5 h GLN 87 Ca 0.30 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.67 1nr5 h GLN 87 Cb -0.09 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1nr5 h GLN 87 CO -0.06 0.36 0.10 1.15 -2.65 0.00 0.00 178.83 177.72 1nr5 h THR 88 N 0.28 1.26 -0.07 2.39 2.02 -1.74 -0.79 112.91 116.26 1nr5 h THR 88 Ca 0.09 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1nr5 h THR 88 Cb 0.11 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1nr5 h THR 88 CO -0.01 0.39 -0.03 0.50 0.37 0.00 0.00 175.52 176.74 1nr5 h LYS 89 N 1.01 -0.02 -0.70 6.66 3.64 -1.14 -1.60 116.57 124.42 1nr5 h LYS 89 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1nr5 h LYS 89 Cb 0.45 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1nr5 h LYS 89 CO 0.01 -0.01 0.42 0.00 -2.27 0.00 0.00 179.45 177.60 1nr5 h ALA 90 N 1.05 1.41 -0.31 5.00 0.00 -0.92 -1.63 119.26 123.86 1nr5 h ALA 90 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nr5 h ALA 90 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nr5 h ALA 90 CO -0.08 0.51 0.16 -0.44 0.00 0.00 0.00 179.25 179.39 1nr5 h ASP 91 N 0.97 0.39 -0.45 0.00 3.32 -0.63 -0.75 116.42 119.27 1nr5 h ASP 91 Ca 0.25 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1nr5 h ASP 91 Cb -0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1nr5 h ASP 91 CO -0.05 0.37 0.15 0.40 -1.72 0.00 0.00 179.24 178.40 1nr5 h ILE 92 N 0.37 1.22 -0.04 0.35 2.04 -1.04 -1.82 117.51 118.59 1nr5 h ILE 92 Ca 0.11 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1nr5 h ILE 92 Cb 0.08 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1nr5 h ILE 92 CO -0.02 0.25 -0.06 -0.33 0.00 0.00 0.00 178.15 177.99 1nr5 h GLU 93 N 0.58 -0.09 -0.91 2.37 5.08 -1.07 -0.46 114.58 120.07 1nr5 h GLU 93 Ca 0.15 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1nr5 h GLU 93 Cb 0.24 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1nr5 h GLU 93 CO -0.01 -0.06 0.60 -0.44 -1.00 0.00 0.00 179.01 178.10 1nr5 h ASP 94 N -0.10 1.02 -0.33 1.42 3.32 -1.06 0.36 116.42 121.05 1nr5 h ASP 94 Ca 0.04 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1nr5 h ASP 94 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1nr5 h ASP 94 CO -0.10 0.72 0.16 -0.25 -1.72 0.00 0.00 179.24 178.05 1nr5 h TRP 95 N 1.20 0.47 -0.71 4.55 7.01 -0.97 -1.29 115.95 126.22 1nr5 h TRP 95 Ca 0.35 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 1nr5 h TRP 95 Cb -0.08 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 1nr5 h TRP 95 CO -0.01 0.41 0.34 0.52 -2.79 0.00 0.00 178.44 176.91 1nr5 h MET 96 N 0.39 1.02 0.00 2.65 2.86 -0.56 -2.34 114.93 118.95 1nr5 h MET 96 Ca 0.11 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1nr5 h MET 96 Cb 0.12 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1nr5 h MET 96 CO -0.01 0.80 0.00 1.28 1.06 0.00 0.00 176.91 180.04 1nr5 n LEU 97 N -4.43 0.54 0.05 1.22 4.77 0.07 -2.29 117.00 116.93 1nr5 n LEU 97 Ca 0.06 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 1nr5 n LEU 97 Cb 0.13 -0.52 0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1nr5 n LEU 97 CO 0.39 -0.41 0.23 -1.20 -1.33 0.00 0.00 177.39 175.07 1nr5 n SER 98 N -2.08 0.66 -4.43 -1.43 7.64 -0.51 -4.69 113.62 108.78 1nr5 n SER 98 Ca 0.03 -0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.61 1nr5 n SER 98 Cb 0.26 0.38 0.24 0.00 -1.01 0.00 0.00 64.21 64.07 1nr5 n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nr5 n GLN 99 N -2.03 -2.25 -3.77 1.43 1.13 -1.16 -4.87 117.38 105.86 1nr5 n GLN 99 Ca 0.03 -0.63 -0.29 0.00 -1.94 0.00 0.00 57.00 54.17 1nr5 n GLN 99 Cb 0.43 -2.07 -0.16 0.00 0.11 0.00 0.00 30.24 28.56 1nr5 n GLN 99 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1nr5 s ASN 100 N -2.28 3.63 0.86 1.08 3.04 -1.26 -2.16 114.94 117.85 1nr5 s ASN 100 Ca 0.66 -1.29 -0.12 0.00 0.04 0.00 0.00 52.86 52.15 1nr5 s ASN 100 Cb -0.23 -0.83 0.11 0.00 -1.54 0.00 0.00 41.25 38.76 1nr5 s ASN 100 CO 0.65 -0.35 1.11 -2.16 -3.04 0.00 0.00 177.10 173.31 1nr5 s PRO 101 N 1.65 1.53 0.69 0.43 0.04 -1.26 -5.11 135.00 132.97 1nr5 s PRO 101 Ca 0.04 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.47 1nr5 s PRO 101 Cb -0.17 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1nr5 s PRO 101 CO -0.16 -1.99 1.21 -2.30 0.04 0.00 0.00 177.00 173.80 1nr5 n PRO 102 N -3.67 0.81 -2.21 0.56 -0.02 -0.92 -4.92 135.00 124.63 1nr5 n PRO 102 Ca 0.07 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 1nr5 n PRO 102 Cb 0.57 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1nr5 n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nr5 n GLY 104 N 3.46 3.52 0.00 0.00 0.00 -1.26 -4.80 105.19 106.10 1nr5 n GLY 104 Ca 0.11 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 44.12 1nr5 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr5 n ARG 105 N -0.25 0.09 0.00 1.61 1.74 -1.26 -2.04 116.66 116.56 1nr5 n ARG 105 Ca 0.00 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1nr5 n ARG 105 Cb 0.00 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.23 1nr5 n ARG 105 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1nr5 n ASP 106 N -1.41 0.89 -4.63 0.55 5.75 -1.26 -4.73 116.55 111.71 1nr5 n ASP 106 Ca 0.05 -0.70 -0.45 0.00 -0.01 0.00 0.00 54.79 53.69 1nr5 n ASP 106 Cb 0.15 0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 1nr5 n ASP 106 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1nr5 n THR 107 N -0.97 1.56 -3.98 2.12 -1.04 -0.86 -4.65 114.28 106.46 1nr5 n THR 107 Ca 0.09 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.05 61.37 1nr5 n THR 107 Cb 0.35 -1.20 -0.14 0.00 -1.82 0.00 0.00 70.33 67.51 1nr5 n THR 107 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nr5 s VAL 108 N -0.68 2.78 -0.03 12.58 1.01 -0.47 -3.57 120.40 132.03 1nr5 s VAL 108 Ca 0.63 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 1nr5 s VAL 108 Cb -0.69 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1nr5 s VAL 108 CO 0.57 0.21 0.37 -0.69 0.00 0.00 0.00 175.10 175.55 1nr5 s VAL 109 N 1.31 5.11 -0.20 2.92 1.01 -0.43 -0.98 120.40 129.14 1nr5 s VAL 109 Ca -0.00 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 1nr5 s VAL 109 Cb -0.17 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1nr5 s VAL 109 CO -0.05 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 1nr5 s ILE 110 N -0.97 2.73 -0.46 2.22 1.01 0.16 -0.90 121.20 124.98 1nr5 s ILE 110 Ca 0.22 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1nr5 s ILE 110 Cb -0.16 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1nr5 s ILE 110 CO 0.12 0.47 0.50 0.00 0.00 0.00 0.00 174.94 176.03 1nr5 s ALA 111 N 1.38 3.43 -0.51 9.38 0.00 -0.39 -1.02 121.76 134.04 1nr5 s ALA 111 Ca 0.05 -1.68 -0.06 0.00 0.00 0.00 0.00 51.96 50.27 1nr5 s ALA 111 Cb -0.14 -3.16 0.13 0.00 0.00 0.00 0.00 23.12 19.95 1nr5 s ALA 111 CO -0.08 -1.76 0.36 -1.17 0.00 0.00 0.00 175.76 173.11 1nr5 s LEU 112 N 2.24 5.56 0.00 0.00 2.96 -0.64 -0.41 118.68 128.39 1nr5 s LEU 112 Ca 0.12 -2.21 0.00 0.00 -0.22 0.00 0.00 54.13 51.82 1nr5 s LEU 112 Cb -0.19 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1nr5 s LEU 112 CO 0.12 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 1nr5 n GLY 113 N 4.44 -1.18 0.00 7.98 0.00 -1.08 -4.35 105.19 111.01 1nr5 n GLY 113 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1nr5 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr5 n GLY 114 N 0.00 -0.02 0.26 -0.02 0.00 -1.26 -2.01 105.19 102.14 1nr5 n GLY 114 Ca 0.00 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1nr5 n GLY 114 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nr5 h GLY 115 N 0.00 0.00 0.59 -0.02 0.00 -1.95 0.04 103.07 101.74 1nr5 h GLY 115 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nr5 h GLY 115 CO 0.00 0.00 -0.05 -2.08 0.00 0.00 0.00 176.54 174.41 1nr5 h VAL 116 N 0.00 1.09 -0.51 4.60 2.07 -1.94 -0.47 116.25 121.08 1nr5 h VAL 116 Ca -0.00 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1nr5 h VAL 116 Cb 0.33 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1nr5 h VAL 116 CO 0.02 0.21 -0.07 0.40 0.02 0.00 0.00 177.57 178.14 1nr5 h ILE 117 N -0.56 1.26 -0.27 4.57 1.08 -1.85 -2.25 117.51 119.50 1nr5 h ILE 117 Ca -0.01 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.25 1nr5 h ILE 117 Cb 0.45 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1nr5 h ILE 117 CO 0.02 0.42 0.08 1.23 -0.69 0.00 0.00 178.15 179.21 1nr5 h GLY 118 N 0.97 0.46 0.96 5.37 0.00 -0.98 0.11 103.07 109.95 1nr5 h GLY 118 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1nr5 h GLY 118 CO 0.04 0.26 0.15 -0.55 0.00 0.00 0.00 176.54 176.44 1nr5 h ASP 119 N 0.27 0.66 -0.07 0.19 5.19 -1.05 -0.19 116.42 121.43 1nr5 h ASP 119 Ca 0.09 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1nr5 h ASP 119 Cb 0.25 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 1nr5 h ASP 119 CO -0.00 0.68 -0.02 0.25 -3.12 0.00 0.00 179.24 177.02 1nr5 h LEU 120 N 0.60 0.14 -0.63 1.55 5.85 -1.38 -2.46 115.31 118.98 1nr5 h LEU 120 Ca 0.15 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1nr5 h LEU 120 Cb 0.25 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1nr5 h LEU 120 CO -0.01 0.50 0.08 0.74 -0.34 0.00 0.00 178.44 179.41 1nr5 h THR 121 N -0.22 1.26 -0.71 1.05 2.02 -0.97 -1.17 112.91 114.16 1nr5 h THR 121 Ca 0.02 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 1nr5 h THR 121 Cb 0.44 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1nr5 h THR 121 CO 0.01 0.39 0.25 1.23 0.37 0.00 0.00 175.52 177.77 1nr5 h GLY 122 N 0.96 1.16 1.11 2.16 0.00 -1.07 -0.84 103.07 106.55 1nr5 h GLY 122 Ca 0.19 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1nr5 h GLY 122 CO 0.02 0.61 -0.36 -2.75 0.00 0.00 0.00 176.54 174.05 1nr5 h PHE 123 N 1.05 1.10 0.07 5.60 3.57 -1.15 -1.06 116.94 126.13 1nr5 h PHE 123 Ca 0.24 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1nr5 h PHE 123 Cb 0.25 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1nr5 h PHE 123 CO 0.02 1.15 -0.07 0.28 -2.23 0.00 0.00 178.31 177.46 1nr5 h VAL 124 N 0.74 0.83 -0.80 1.41 2.07 -0.93 -2.66 116.25 116.92 1nr5 h VAL 124 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1nr5 h VAL 124 Cb 0.96 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1nr5 h VAL 124 CO 0.09 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.12 1nr5 h ALA 125 N 0.76 1.14 0.00 1.67 0.00 -1.03 -1.42 119.26 120.38 1nr5 h ALA 125 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nr5 h ALA 125 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nr5 h ALA 125 CO -0.02 0.03 -0.04 0.66 0.00 0.00 0.00 179.25 179.87 1nr5 h SER 126 N 0.72 0.00 -0.01 0.00 4.64 -0.84 -0.90 113.55 117.17 1nr5 h SER 126 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1nr5 h SER 126 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1nr5 h SER 126 CO -0.27 0.04 -0.06 0.35 -0.87 0.00 0.00 176.83 176.02 1nr5 n THR 127 N -4.15 0.00 -2.01 2.95 -2.24 -0.90 -3.24 114.28 104.68 1nr5 n THR 127 Ca -0.03 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 1nr5 n THR 127 Cb 0.13 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1nr5 n THR 127 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nr5 s TYR 128 N -0.77 1.86 -1.31 4.78 5.04 -0.59 -1.77 117.35 124.59 1nr5 s TYR 128 Ca 0.06 0.58 -0.05 0.00 -2.44 0.00 0.00 57.07 55.22 1nr5 s TYR 128 Cb 0.05 -4.10 0.03 0.00 0.35 0.00 0.00 41.96 38.29 1nr5 s TYR 128 CO 0.12 -3.02 0.33 -1.33 -1.34 0.00 0.00 175.55 170.31 1nr5 n MET 129 N 8.25 -3.28 -1.13 4.97 2.81 -1.26 -0.43 117.12 127.03 1nr5 n MET 129 Ca 0.22 0.65 -0.05 0.00 -1.81 0.00 0.00 57.70 56.72 1nr5 n MET 129 Cb 0.46 -5.36 -0.02 0.00 -0.71 0.00 0.00 33.22 27.59 1nr5 n MET 129 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1nr5 n ARG 130 N -3.47 -0.41 0.00 0.03 1.74 -0.73 -4.90 116.66 108.92 1nr5 n ARG 130 Ca -0.09 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1nr5 n ARG 130 Cb 0.59 -4.28 0.00 0.00 -1.02 0.00 0.00 32.46 27.75 1nr5 n ARG 130 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nr5 n GLY 131 N -2.25 3.48 3.24 -0.13 0.00 0.42 -4.79 105.19 105.17 1nr5 n GLY 131 Ca -0.05 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1nr5 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nr5 s VAL 132 N 0.00 0.75 0.42 1.61 -7.23 -0.35 -4.90 120.40 110.71 1nr5 s VAL 132 Ca 0.00 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 57.95 1nr5 s VAL 132 Cb 0.00 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 1nr5 s VAL 132 CO 0.00 -0.54 1.12 -0.13 -0.31 0.00 0.00 175.10 175.24 1nr5 s ARG 133 N -3.88 3.98 0.09 4.82 0.52 -1.23 -4.59 118.95 118.65 1nr5 s ARG 133 Ca 0.22 1.70 -0.07 0.00 -0.52 0.00 0.00 55.73 57.05 1nr5 s ARG 133 Cb 0.06 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 1nr5 s ARG 133 CO 0.03 -0.34 0.16 1.52 0.02 0.00 0.00 175.30 176.69 1nr5 s TYR 134 N -1.55 0.23 0.09 -0.53 1.13 -1.26 -1.31 117.35 114.15 1nr5 s TYR 134 Ca 0.60 -0.68 0.05 0.00 -1.41 0.00 0.00 57.07 55.63 1nr5 s TYR 134 Cb -0.27 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.45 1nr5 s TYR 134 CO 0.33 -0.53 -0.14 0.14 -2.51 0.00 0.00 175.55 172.84 1nr5 s VAL 135 N -3.88 1.15 -0.13 -3.49 -7.23 -0.08 0.22 120.40 106.96 1nr5 s VAL 135 Ca 0.06 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1nr5 s VAL 135 Cb 0.05 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1nr5 s VAL 135 CO -0.10 -0.31 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.27 1nr5 s GLN 136 N -2.11 3.45 -0.56 4.82 -1.52 -0.40 -1.26 119.66 122.08 1nr5 s GLN 136 Ca 0.02 -0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.03 1nr5 s GLN 136 Cb -0.08 -2.91 0.17 0.00 -0.22 0.00 0.00 33.01 29.97 1nr5 s GLN 136 CO 0.02 0.43 0.44 0.28 -0.25 0.00 0.00 175.29 176.21 1nr5 n VAL 137 N 2.98 0.32 -1.73 1.09 0.31 0.46 -0.90 118.33 120.85 1nr5 n VAL 137 Ca -0.18 -4.21 -0.42 0.00 -0.01 0.00 0.00 64.34 59.52 1nr5 n VAL 137 Cb 0.53 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 1nr5 n VAL 137 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nr5 s PRO 138 N -0.81 4.13 -0.00 5.55 0.04 -1.24 -2.64 135.00 140.03 1nr5 s PRO 138 Ca 0.29 2.60 0.12 0.00 0.04 0.00 0.00 61.00 64.06 1nr5 s PRO 138 Cb 0.01 -3.22 -0.14 0.00 0.04 0.00 0.00 34.50 31.19 1nr5 s PRO 138 CO -0.18 -0.77 0.50 0.25 0.04 0.00 0.00 177.00 176.84 1nr5 n THR 139 N 4.19 0.00 -4.15 1.26 -2.24 -0.85 -4.58 114.28 107.91 1nr5 n THR 139 Ca 0.16 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1nr5 n THR 139 Cb 0.36 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1nr5 n THR 139 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nr5 s THR 140 N -2.25 3.74 0.19 4.28 -4.23 -1.26 -4.45 115.64 111.65 1nr5 s THR 140 Ca 0.04 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1nr5 s THR 140 Cb 0.09 -3.10 0.11 0.00 1.34 0.00 0.00 72.50 70.94 1nr5 s THR 140 CO 0.51 -0.31 1.77 0.25 -0.54 0.00 0.00 174.62 176.30 1nr5 h LEU 141 N 1.63 0.87 -1.03 4.79 5.85 -1.92 -2.00 115.31 123.50 1nr5 h LEU 141 Ca -0.46 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1nr5 h LEU 141 Cb 1.25 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1nr5 h LEU 141 CO 0.61 0.77 0.65 0.25 -0.34 0.00 0.00 178.44 180.38 1nr5 h LEU 142 N 0.92 1.10 -0.35 2.25 6.46 -1.86 -2.23 115.31 121.59 1nr5 h LEU 142 Ca 0.23 -0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.78 1nr5 h LEU 142 Cb 0.13 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1nr5 h LEU 142 CO -0.03 0.76 -0.63 0.00 -0.62 0.00 0.00 178.44 177.93 1nr5 h ALA 143 N 1.41 0.53 -0.46 1.25 0.00 -1.85 -0.33 119.26 119.80 1nr5 h ALA 143 Ca 0.39 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1nr5 h ALA 143 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nr5 h ALA 143 CO -0.11 0.70 -0.12 0.52 0.00 0.00 0.00 179.25 180.23 1nr5 h MET 144 N 0.50 0.86 0.00 0.00 2.86 -1.05 -1.43 114.93 116.67 1nr5 h MET 144 Ca -0.01 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1nr5 h MET 144 Cb 1.22 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1nr5 h MET 144 CO 0.13 0.93 -0.85 1.33 1.06 0.00 0.00 176.91 179.50 1nr5 n VAL 145 N -4.15 0.04 0.00 -2.22 0.24 -0.87 -4.78 118.33 106.59 1nr5 n VAL 145 Ca 0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1nr5 n VAL 145 Cb 0.39 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1nr5 n VAL 145 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1nr5 n ASP 146 N -1.62 0.00 -0.23 -1.34 2.03 -0.16 -4.25 116.55 110.97 1nr5 n ASP 146 Ca 0.04 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.45 1nr5 n ASP 146 Cb 0.36 0.13 0.38 0.00 -0.72 0.00 0.00 41.12 41.26 1nr5 n ASP 146 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1nr5 h SER 147 N 0.00 0.64 1.11 1.67 4.64 -1.51 -2.34 113.55 117.76 1nr5 h SER 147 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1nr5 h SER 147 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1nr5 h SER 147 CO 0.00 0.36 0.00 -1.54 -0.87 0.00 0.00 176.83 174.78 1nr5 n SER 148 N -4.52 0.76 -4.76 4.97 3.41 -0.55 -4.77 113.62 108.16 1nr5 n SER 148 Ca 0.15 0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 59.02 1nr5 n SER 148 Cb 0.38 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.44 1nr5 n SER 148 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nr5 s ILE 149 N -3.22 4.84 0.00 -1.33 1.01 -0.88 -4.63 121.20 116.99 1nr5 s ILE 149 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1nr5 s ILE 149 Cb 0.11 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1nr5 s ILE 149 CO 0.50 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.65 1nr5 n GLY 150 N 2.14 2.40 2.59 6.18 0.00 -1.26 -4.70 105.19 112.55 1nr5 n GLY 150 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1nr5 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr5 n GLY 151 N -0.60 0.80 3.71 -0.02 0.00 -1.26 -4.85 105.19 102.97 1nr5 n GLY 151 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nr5 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr5 s LYS 152 N -0.00 4.53 0.14 1.61 1.02 -1.26 -0.17 119.74 125.61 1nr5 s LYS 152 Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 55.97 57.58 1nr5 s LYS 152 Cb 0.00 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1nr5 s LYS 152 CO 0.00 -0.09 -0.10 0.95 -0.92 0.00 0.00 175.35 175.20 1nr5 s THR 153 N 0.86 1.13 0.00 2.17 -4.23 -0.44 -4.83 115.64 110.30 1nr5 s THR 153 Ca 0.54 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1nr5 s THR 153 Cb -0.24 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1nr5 s THR 153 CO 0.29 -0.76 0.00 0.00 -0.54 0.00 0.00 174.62 173.61 1nr5 n ALA 154 N -0.18 0.00 -2.47 3.99 0.00 -1.18 -2.06 120.51 118.60 1nr5 n ALA 154 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 1nr5 n ALA 154 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1nr5 n ALA 154 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nr5 s ILE 155 N -2.00 1.84 0.58 0.00 -4.36 -0.23 -4.21 121.20 112.83 1nr5 s ILE 155 Ca 0.00 -2.15 0.07 0.00 -0.26 0.00 0.00 60.65 58.32 1nr5 s ILE 155 Cb 0.00 -2.53 0.08 0.00 1.25 0.00 0.00 42.46 41.26 1nr5 s ILE 155 CO 0.00 -0.25 0.81 -1.81 0.24 0.00 0.00 174.94 173.92 1nr5 s ASP 156 N -3.50 5.03 0.13 4.36 1.01 -0.33 -2.89 116.67 120.47 1nr5 s ASP 156 Ca 0.31 -0.69 -0.01 0.00 0.71 0.00 0.00 52.55 52.86 1nr5 s ASP 156 Cb 0.03 0.11 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 1nr5 s ASP 156 CO 0.14 -1.37 0.06 0.42 0.21 0.00 0.00 175.17 174.62 1nr5 s THR 157 N -2.72 0.10 0.57 -1.27 -4.23 -1.07 -4.42 115.64 102.59 1nr5 s THR 157 Ca 0.62 -1.90 0.28 0.00 -1.18 0.00 0.00 61.69 59.51 1nr5 s THR 157 Cb -0.06 -2.03 0.39 0.00 1.34 0.00 0.00 72.50 72.15 1nr5 s THR 157 CO 0.39 -0.48 1.95 -0.65 -0.54 0.00 0.00 174.62 175.30 1nr5 h PRO 158 N 2.87 0.00 0.00 3.99 0.11 -2.00 -0.92 132.00 136.04 1nr5 h PRO 158 Ca -0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1nr5 h PRO 158 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1nr5 h PRO 158 CO 0.59 0.00 -0.29 -0.07 -0.21 0.00 0.00 178.00 178.02 1nr5 h LEU 159 N 0.00 0.00 0.00 2.35 3.38 -1.97 -3.49 115.31 115.58 1nr5 h LEU 159 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1nr5 h LEU 159 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nr5 h LEU 159 CO -0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1nr5 n GLY 160 N 0.40 -1.66 3.74 0.83 0.00 -0.35 -5.01 105.19 103.14 1nr5 n GLY 160 Ca 0.01 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1nr5 n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr5 s LYS 161 N -1.52 4.75 -1.20 1.61 -0.14 -1.26 -2.61 119.74 119.37 1nr5 s LYS 161 Ca 0.00 1.49 -0.16 0.00 -1.36 0.00 0.00 55.97 55.94 1nr5 s LYS 161 Cb 0.00 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.84 1nr5 s LYS 161 CO 0.00 0.32 0.30 0.09 -0.76 0.00 0.00 175.35 175.29 1nr5 n ASN 162 N 2.27 -1.38 0.12 2.83 3.02 -1.23 -4.86 115.26 116.02 1nr5 n ASN 162 Ca 0.01 -1.13 0.09 0.00 -0.03 0.00 0.00 54.58 53.51 1nr5 n ASN 162 Cb 0.48 -1.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.30 1nr5 n ASN 162 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1nr5 h LEU 163 N -1.68 0.00 -7.94 3.41 3.38 -1.74 -3.45 115.31 107.28 1nr5 h LEU 163 Ca -0.60 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.84 1nr5 h LEU 163 Cb 1.22 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.63 1nr5 h LEU 163 CO 0.53 0.15 -0.82 -0.63 0.09 0.00 0.00 178.44 177.77 1nr5 s ILE 164 N -3.21 1.20 -0.24 1.22 -1.09 -1.24 -5.05 121.20 112.79 1nr5 s ILE 164 Ca 0.01 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1nr5 s ILE 164 Cb 0.08 -1.11 0.00 0.00 -1.58 0.00 0.00 42.46 39.85 1nr5 s ILE 164 CO 0.76 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 175.46 1nr5 n GLY 165 N 4.09 -0.66 3.41 6.18 0.00 -1.26 -1.06 105.19 115.88 1nr5 n GLY 165 Ca -0.20 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1nr5 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr5 s ALA 166 N -1.00 -1.45 -0.29 4.61 0.00 -0.88 -4.95 121.76 117.79 1nr5 s ALA 166 Ca 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 1nr5 s ALA 166 Cb 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1nr5 s ALA 166 CO 0.00 -0.67 0.54 0.42 0.00 0.00 0.00 175.76 176.05 1nr5 s ILE 167 N -3.34 5.03 -0.23 0.00 -1.09 -1.26 -1.33 121.20 118.98 1nr5 s ILE 167 Ca -0.01 0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1nr5 s ILE 167 Cb -0.00 -3.90 0.12 0.00 -1.58 0.00 0.00 42.46 37.09 1nr5 s ILE 167 CO -0.09 -0.04 0.29 0.86 -1.23 0.00 0.00 174.94 174.73 1nr5 s TRP 168 N 2.40 -0.52 0.24 3.97 -0.11 0.76 -5.00 118.94 120.69 1nr5 s TRP 168 Ca 0.21 0.38 -0.30 0.00 1.22 0.00 0.00 56.10 57.62 1nr5 s TRP 168 Cb -0.15 -0.24 -0.09 0.00 -1.50 0.00 0.00 33.47 31.49 1nr5 s TRP 168 CO 0.11 -0.70 1.07 -0.65 -4.62 0.00 0.00 176.95 172.15 1nr5 s GLN 169 N 2.41 4.67 0.60 5.86 -1.52 -1.26 -4.49 119.66 125.93 1nr5 s GLN 169 Ca 0.09 1.71 -0.14 0.00 -1.95 0.00 0.00 55.36 55.07 1nr5 s GLN 169 Cb -0.15 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 1nr5 s GLN 169 CO -0.17 0.23 1.04 -1.25 -0.25 0.00 0.00 175.29 174.89 1nr5 s PRO 170 N -1.05 3.42 0.15 2.91 0.04 -1.26 -4.77 135.00 134.44 1nr5 s PRO 170 Ca 0.45 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1nr5 s PRO 170 Cb -0.30 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1nr5 s PRO 170 CO 0.37 -0.71 1.34 1.15 0.04 0.00 0.00 177.00 179.19 1nr5 h THR 171 N 0.22 1.53 -3.60 1.26 2.02 -0.62 -3.46 112.91 110.25 1nr5 h THR 171 Ca -0.46 -2.78 -0.11 0.00 0.77 0.00 0.00 66.41 63.83 1nr5 h THR 171 Cb 1.21 2.57 -0.17 0.00 -1.74 0.00 0.00 68.15 70.01 1nr5 h THR 171 CO 0.59 0.81 -0.42 -0.54 0.37 0.00 0.00 175.52 176.33 1nr5 s LYS 172 N -3.08 0.67 -0.17 6.66 -0.14 -1.26 -4.78 119.74 117.65 1nr5 s LYS 172 Ca -0.02 -0.65 -0.02 0.00 -1.36 0.00 0.00 55.97 53.92 1nr5 s LYS 172 Cb 0.10 0.28 0.05 0.00 -1.68 0.00 0.00 37.83 36.57 1nr5 s LYS 172 CO 0.83 -0.19 0.00 0.42 -0.76 0.00 0.00 175.35 175.65 1nr5 s ILE 173 N -2.55 0.69 -0.33 2.17 1.01 -0.08 -1.27 121.20 120.84 1nr5 s ILE 173 Ca -0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 1nr5 s ILE 173 Cb -0.01 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1nr5 s ILE 173 CO -0.04 -0.04 0.15 -0.31 0.00 0.00 0.00 174.94 174.70 1nr5 s TYR 174 N 1.80 3.19 -0.51 3.97 2.02 -0.08 -1.29 117.35 126.45 1nr5 s TYR 174 Ca 0.00 -0.84 -0.13 0.00 -0.37 0.00 0.00 57.07 55.73 1nr5 s TYR 174 Cb -0.16 -2.35 0.13 0.00 -0.40 0.00 0.00 41.96 39.18 1nr5 s TYR 174 CO -0.07 -0.56 0.44 0.42 -1.57 0.00 0.00 175.55 174.21 1nr5 s ILE 175 N 1.55 4.78 -0.48 2.71 1.01 0.48 -3.72 121.20 127.53 1nr5 s ILE 175 Ca 0.03 -1.64 -0.13 0.00 0.00 0.00 0.00 60.65 58.91 1nr5 s ILE 175 Cb -0.18 -4.10 0.10 0.00 0.01 0.00 0.00 42.46 38.29 1nr5 s ILE 175 CO 0.05 -0.83 0.38 -0.62 0.00 0.00 0.00 174.94 173.92 1nr5 s ASP 176 N 3.18 5.95 0.32 3.58 -1.08 -1.26 -1.57 116.67 125.80 1nr5 s ASP 176 Ca 0.04 -1.61 0.19 0.00 -0.52 0.00 0.00 52.55 50.65 1nr5 s ASP 176 Cb -0.28 -2.11 1.05 0.00 -1.46 0.00 0.00 42.92 40.11 1nr5 s ASP 176 CO 0.01 -0.69 1.56 0.18 0.52 0.00 0.00 175.17 176.75 1nr5 n LEU 177 N 5.09 0.50 0.27 -1.34 4.77 -1.05 -2.04 117.00 123.19 1nr5 n LEU 177 Ca -0.11 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 1nr5 n LEU 177 Cb 0.42 -0.74 0.74 0.00 -2.33 0.00 0.00 43.42 41.50 1nr5 n LEU 177 CO 0.46 -0.88 0.98 -0.08 -1.33 0.00 0.00 177.39 176.55 1nr5 h GLU 178 N 0.00 0.00 0.00 3.23 4.81 -1.93 -2.71 114.58 117.99 1nr5 h GLU 178 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1nr5 h GLU 178 Cb 0.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1nr5 h GLU 178 CO 0.00 0.11 -0.12 0.74 -0.73 0.00 0.00 179.01 179.01 1nr5 h PHE 179 N 0.00 0.00 0.00 0.92 0.04 -1.74 -2.45 116.94 113.72 1nr5 h PHE 179 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nr5 h PHE 179 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1nr5 h PHE 179 CO 0.00 0.12 0.00 -0.07 -0.60 0.00 0.00 178.31 177.76 1nr5 h LEU 180 N 0.00 0.00 -0.97 1.54 3.38 -1.69 -3.03 115.31 114.54 1nr5 h LEU 180 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1nr5 h LEU 180 Cb 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1nr5 h LEU 180 CO 0.02 0.00 0.60 -0.33 0.09 0.00 0.00 178.44 178.81 1nr5 h GLU 181 N 0.00 0.93 -0.03 1.13 4.39 -1.63 -2.61 114.58 116.76 1nr5 h GLU 181 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1nr5 h GLU 181 Cb 0.21 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nr5 h GLU 181 CO 0.00 0.62 -0.05 0.25 -1.16 0.00 0.00 179.01 178.67 1nr5 n THR 182 N -4.64 0.00 -2.10 1.13 -2.24 -1.14 -4.94 114.28 100.34 1nr5 n THR 182 Ca 0.18 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1nr5 n THR 182 Cb 0.33 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1nr5 n THR 182 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1nr5 s LEU 183 N -2.05 4.38 0.58 3.22 2.96 -0.99 -4.97 118.68 121.81 1nr5 s LEU 183 Ca 0.29 2.46 -0.20 0.00 -0.22 0.00 0.00 54.13 56.45 1nr5 s LEU 183 Cb 0.20 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1nr5 s LEU 183 CO 0.33 -0.67 1.26 -2.84 -1.32 0.00 0.00 176.35 173.12 1nr5 s PRO 184 N 0.65 2.98 0.22 0.98 0.02 -1.26 -4.81 135.00 133.77 1nr5 s PRO 184 Ca 0.63 1.99 -0.08 0.00 0.02 0.00 0.00 61.00 63.56 1nr5 s PRO 184 Cb -0.39 -2.03 0.33 0.00 0.02 0.00 0.00 34.50 32.43 1nr5 s PRO 184 CO 0.34 -1.24 1.73 0.28 -0.33 0.00 0.00 177.00 177.78 1nr5 h VAL 185 N 1.03 0.71 -0.68 3.83 2.07 -1.93 -1.51 116.25 119.76 1nr5 h VAL 185 Ca -0.51 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1nr5 h VAL 185 Cb 1.30 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1nr5 h VAL 185 CO 0.56 0.07 0.32 -0.09 0.02 0.00 0.00 177.57 178.45 1nr5 h ARG 186 N 0.39 0.97 -0.38 1.57 2.43 -1.99 -1.31 114.38 116.06 1nr5 h ARG 186 Ca 0.34 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1nr5 h ARG 186 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1nr5 h ARG 186 CO -0.36 0.76 -0.19 0.93 -1.51 0.00 0.00 179.97 179.60 1nr5 h GLU 187 N 0.97 0.81 -0.21 0.20 4.39 -1.75 -0.97 114.58 118.01 1nr5 h GLU 187 Ca 0.24 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1nr5 h GLU 187 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1nr5 h GLU 187 CO -0.03 0.98 0.13 0.35 -1.16 0.00 0.00 179.01 179.29 1nr5 h PHE 188 N 0.61 0.28 -0.67 4.33 3.04 -0.93 -1.25 116.94 122.35 1nr5 h PHE 188 Ca 0.08 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1nr5 h PHE 188 Cb 0.75 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 1nr5 h PHE 188 CO 0.06 0.21 0.25 0.82 -2.02 0.00 0.00 178.31 177.63 1nr5 h ILE 189 N 0.27 1.24 -0.94 1.41 2.04 -1.21 -2.08 117.51 118.24 1nr5 h ILE 189 Ca 0.08 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1nr5 h ILE 189 Cb 0.01 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1nr5 h ILE 189 CO -0.01 0.30 0.59 -1.13 0.00 0.00 0.00 178.15 177.90 1nr5 h ASN 190 N 0.97 0.92 0.64 1.72 -1.24 -0.62 -1.91 115.58 116.06 1nr5 h ASN 190 Ca 0.22 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.18 1nr5 h ASN 190 Cb 0.21 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1nr5 h ASN 190 CO -0.02 0.56 -0.38 1.23 -1.29 0.00 0.00 177.43 177.53 1nr5 h GLY 191 N 1.04 0.00 2.00 1.57 0.00 -0.54 -3.02 103.07 104.11 1nr5 h GLY 191 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1nr5 h GLY 191 CO -0.20 0.00 -0.07 -0.33 0.00 0.00 0.00 176.54 175.94 1nr5 h MET 192 N 0.00 0.00 -0.65 4.80 2.86 -1.04 -2.38 114.93 118.52 1nr5 h MET 192 Ca -0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1nr5 h MET 192 Cb 0.81 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 1nr5 h MET 192 CO 0.05 0.07 0.43 0.00 1.06 0.00 0.00 176.91 178.52 1nr5 h ALA 193 N 1.93 1.63 0.01 6.32 0.00 -1.58 0.93 119.26 128.50 1nr5 h ALA 193 Ca -0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1nr5 h ALA 193 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nr5 h ALA 193 CO 0.01 0.30 -0.90 0.93 0.00 0.00 0.00 179.25 179.59 1nr5 h GLU 194 N 0.78 0.13 -0.11 0.00 4.39 -1.63 -1.34 114.58 116.81 1nr5 h GLU 194 Ca 0.26 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1nr5 h GLU 194 Cb 0.06 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1nr5 h GLU 194 CO -0.07 0.94 0.01 0.28 -1.16 0.00 0.00 179.01 179.00 1nr5 h VAL 195 N 0.07 1.24 -0.53 3.13 2.07 -1.23 -0.67 116.25 120.33 1nr5 h VAL 195 Ca -0.04 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1nr5 h VAL 195 Cb 1.54 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1nr5 h VAL 195 CO 0.13 0.22 0.30 0.40 0.02 0.00 0.00 177.57 178.64 1nr5 h ILE 196 N -0.08 1.17 -0.47 4.57 2.04 -0.86 -1.33 117.51 122.56 1nr5 h ILE 196 Ca 0.03 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1nr5 h ILE 196 Cb 0.33 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1nr5 h ILE 196 CO 0.00 0.18 0.27 0.50 0.00 0.00 0.00 178.15 179.10 1nr5 h LYS 197 N 0.71 0.52 -0.71 2.37 3.64 -1.15 -0.80 116.57 121.15 1nr5 h LYS 197 Ca 0.19 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1nr5 h LYS 197 Cb 0.02 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1nr5 h LYS 197 CO -0.03 0.35 0.28 1.15 -2.27 0.00 0.00 179.45 178.92 1nr5 h THR 198 N 0.54 1.25 -0.38 1.00 2.02 -0.77 -2.80 112.91 113.76 1nr5 h THR 198 Ca 0.19 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1nr5 h THR 198 Cb 0.03 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1nr5 h THR 198 CO -0.10 0.31 0.11 0.00 0.37 0.00 0.00 175.52 176.22 1nr5 h ALA 199 N 1.13 0.50 0.00 6.16 0.00 -0.94 -3.06 119.26 123.06 1nr5 h ALA 199 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nr5 h ALA 199 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nr5 h ALA 199 CO -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.37 1nr5 h ALA 200 N 0.95 1.65 -0.08 0.00 0.00 -0.94 0.04 119.26 120.89 1nr5 h ALA 200 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nr5 h ALA 200 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nr5 h ALA 200 CO -0.00 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.71 1nr5 n ILE 201 N -4.06 0.07 0.00 0.00 -5.35 -1.08 0.12 119.36 109.06 1nr5 n ILE 201 Ca -0.03 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1nr5 n ILE 201 Cb 0.10 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1nr5 n ILE 201 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1nr5 n SER 202 N 1.18 1.78 -3.59 7.28 3.41 -0.80 -4.53 113.62 118.36 1nr5 n SER 202 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 1nr5 n SER 202 Cb 0.56 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1nr5 n SER 202 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nr5 s SER 203 N -3.36 0.00 0.42 4.04 0.15 -0.07 -4.85 113.70 110.04 1nr5 s SER 203 Ca 0.00 0.72 0.12 0.00 0.70 0.00 0.00 55.95 57.50 1nr5 s SER 203 Cb 0.00 1.15 0.98 0.00 -1.71 0.00 0.00 66.02 66.44 1nr5 s SER 203 CO 0.00 -0.25 1.97 -0.08 1.20 0.00 0.00 173.24 176.08 1nr5 h GLU 204 N 8.20 0.46 -0.03 5.44 4.22 -1.78 -1.46 114.58 129.63 1nr5 h GLU 204 Ca -0.16 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.25 1nr5 h GLU 204 Cb 1.12 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1nr5 h GLU 204 CO 0.16 0.30 0.01 0.93 -2.18 0.00 0.00 179.01 178.23 1nr5 h GLU 205 N 0.47 0.05 -0.71 1.92 5.08 -1.93 0.38 114.58 119.84 1nr5 h GLU 205 Ca 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1nr5 h GLU 205 Cb 0.51 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1nr5 h GLU 205 CO -0.09 0.27 0.33 1.49 -1.00 0.00 0.00 179.01 180.01 1nr5 h GLU 206 N -0.17 1.04 -0.78 2.33 4.57 -1.84 0.23 114.58 119.96 1nr5 h GLU 206 Ca 0.01 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1nr5 h GLU 206 Cb 0.24 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1nr5 h GLU 206 CO 0.00 0.83 0.49 0.35 -1.18 0.00 0.00 179.01 179.50 1nr5 h PHE 207 N 1.00 1.00 -0.51 0.92 3.04 -1.06 -0.42 116.94 120.91 1nr5 h PHE 207 Ca 0.24 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 1nr5 h PHE 207 Cb 0.14 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1nr5 h PHE 207 CO 0.01 0.65 0.28 1.15 -2.02 0.00 0.00 178.31 178.37 1nr5 h THR 208 N 1.06 1.18 -1.00 4.41 2.02 -0.33 -1.36 112.91 118.88 1nr5 h THR 208 Ca 0.28 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1nr5 h THR 208 Cb -0.08 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 66.81 1nr5 h THR 208 CO -0.06 0.19 0.65 0.00 0.37 0.00 0.00 175.52 176.67 1nr5 h ALA 209 N 1.11 1.39 -0.43 6.16 0.00 -0.23 -0.03 119.26 127.23 1nr5 h ALA 209 Ca 0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1nr5 h ALA 209 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1nr5 h ALA 209 CO -0.03 0.45 -0.11 -0.07 0.00 0.00 0.00 179.25 179.50 1nr5 h LEU 210 N 1.18 0.76 -0.72 0.00 3.38 -0.48 -1.91 115.31 117.52 1nr5 h LEU 210 Ca 0.43 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1nr5 h LEU 210 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nr5 h LEU 210 CO -0.17 0.89 -0.03 -0.33 0.09 0.00 0.00 178.44 178.89 1nr5 h GLU 211 N 0.70 0.95 0.00 1.13 5.08 -0.09 -2.78 114.58 119.56 1nr5 h GLU 211 Ca 0.12 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1nr5 h GLU 211 Cb 0.58 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1nr5 h GLU 211 CO 0.04 0.96 -0.27 0.93 -1.00 0.00 0.00 179.01 179.67 1nr5 h GLU 212 N 0.87 0.00 -0.03 2.33 5.08 -0.79 -3.27 114.58 118.77 1nr5 h GLU 212 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1nr5 h GLU 212 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nr5 h GLU 212 CO 0.03 0.27 -0.00 0.09 -1.00 0.00 0.00 179.01 178.40 1nr5 n ASN 213 N -3.26 2.79 -0.10 1.42 5.03 -0.74 -4.62 115.26 115.78 1nr5 n ASN 213 Ca 0.02 -1.90 -0.13 0.00 0.87 0.00 0.00 54.58 53.44 1nr5 n ASN 213 Cb 0.55 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.24 1nr5 n ASN 213 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nr5 h ALA 214 N 4.23 -0.67 -0.17 5.41 0.00 -1.55 0.21 119.26 126.72 1nr5 h ALA 214 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1nr5 h ALA 214 Cb 0.90 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 1nr5 h ALA 214 CO 0.00 -0.99 -0.14 0.93 0.00 0.00 0.00 179.25 179.05 1nr5 h GLU 215 N -0.42 -0.14 -0.22 0.00 5.08 -1.85 0.22 114.58 117.25 1nr5 h GLU 215 Ca 0.09 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1nr5 h GLU 215 Cb 0.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1nr5 h GLU 215 CO -0.54 -0.10 0.07 1.15 -1.00 0.00 0.00 179.01 178.59 1nr5 h THR 216 N -0.15 0.94 0.49 1.13 2.02 -1.77 -1.06 112.91 114.51 1nr5 h THR 216 Ca 0.11 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1nr5 h THR 216 Cb 0.31 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1nr5 h THR 216 CO -0.26 0.03 -0.23 0.40 0.37 0.00 0.00 175.52 175.82 1nr5 h ILE 217 N 0.17 0.50 -0.87 3.11 2.04 -0.66 -2.64 117.51 119.16 1nr5 h ILE 217 Ca 0.10 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.88 1nr5 h ILE 217 Cb 0.07 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1nr5 h ILE 217 CO -0.10 0.04 0.57 0.25 0.00 0.00 0.00 178.15 178.90 1nr5 h LEU 218 N -0.79 0.64 -0.45 1.44 5.85 -0.49 -1.45 115.31 120.06 1nr5 h LEU 218 Ca -0.07 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 1nr5 h LEU 218 Cb 0.56 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1nr5 h LEU 218 CO 0.11 0.33 -0.25 0.11 -0.34 0.00 0.00 178.44 178.40 1nr5 h LYS 219 N 0.68 0.96 -0.57 1.25 1.57 -1.10 -1.95 116.57 117.40 1nr5 h LYS 219 Ca 0.44 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1nr5 h LYS 219 Cb 0.71 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1nr5 h LYS 219 CO -0.19 1.10 0.05 0.00 -0.57 0.00 0.00 179.45 179.84 1nr5 h ALA 220 N 0.84 1.02 -0.37 3.86 0.00 -0.93 -0.09 119.26 123.58 1nr5 h ALA 220 Ca 0.10 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1nr5 h ALA 220 Cb 0.83 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nr5 h ALA 220 CO 0.07 0.62 -0.20 0.28 0.00 0.00 0.00 179.25 180.02 1nr5 h VAL 221 N 0.88 1.27 0.00 0.00 2.07 -1.16 -3.18 116.25 116.13 1nr5 h VAL 221 Ca 0.17 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1nr5 h VAL 221 Cb 0.44 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1nr5 h VAL 221 CO 0.02 0.43 -0.84 0.54 0.02 0.00 0.00 177.57 177.73 1nr5 n ARG 222 N -4.12 0.32 -1.56 1.57 1.74 -0.75 -4.83 116.66 109.03 1nr5 n ARG 222 Ca 0.00 0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.79 1nr5 n ARG 222 Cb 0.41 -1.66 0.08 0.00 -1.02 0.00 0.00 32.46 30.27 1nr5 n ARG 222 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1nr5 s ARG 223 N -3.20 2.36 -0.24 5.56 3.52 -0.06 -4.98 118.95 121.90 1nr5 s ARG 223 Ca 0.04 1.68 -0.21 0.00 -0.13 0.00 0.00 55.73 57.11 1nr5 s ARG 223 Cb 0.13 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.64 1nr5 s ARG 223 CO 0.76 -1.65 0.66 -2.00 -0.81 0.00 0.00 175.30 172.26 1nr5 s GLU 224 N -3.90 4.14 -0.07 5.12 -6.30 -1.26 -5.03 118.70 111.41 1nr5 s GLU 224 Ca 0.73 0.62 -0.21 0.00 -2.50 0.00 0.00 54.97 53.61 1nr5 s GLU 224 Cb -0.27 -3.63 -0.04 0.00 0.00 0.00 0.00 34.13 30.18 1nr5 s GLU 224 CO 0.43 -0.39 0.61 0.08 0.02 0.00 0.00 175.26 176.01 1nr5 s VAL 225 N 2.42 5.06 0.57 3.70 1.01 -1.26 -5.06 120.40 126.84 1nr5 s VAL 225 Ca 0.28 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 1nr5 s VAL 225 Cb -0.16 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1nr5 s VAL 225 CO 0.09 0.31 1.01 -0.89 0.00 0.00 0.00 175.10 175.62 1nr5 s THR 226 N 0.50 4.63 0.16 3.92 2.01 -1.26 -4.98 115.64 120.62 1nr5 s THR 226 Ca 0.32 1.02 -0.33 0.00 0.31 0.00 0.00 61.69 63.02 1nr5 s THR 226 Cb -0.17 -3.81 -0.13 0.00 0.01 0.00 0.00 72.50 68.40 1nr5 s THR 226 CO 0.16 -0.95 1.65 -2.65 -0.69 0.00 0.00 174.62 172.13 1nr5 n PRO 227 N -2.25 2.36 0.00 4.92 -0.02 -1.26 -2.52 135.00 136.24 1nr5 n PRO 227 Ca 0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1nr5 n PRO 227 Cb 0.54 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1nr5 n PRO 227 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nr5 n GLY 228 N 3.66 2.66 3.96 -1.23 0.00 -1.26 -5.05 105.19 107.93 1nr5 n GLY 228 Ca 0.17 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1nr5 n GLY 228 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nr5 s GLU 229 N 0.00 3.11 -0.02 1.61 -1.05 -1.05 -5.10 118.70 116.20 1nr5 s GLU 229 Ca 0.00 -0.57 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1nr5 s GLU 229 Cb 0.00 -2.61 -0.04 0.00 -0.44 0.00 0.00 34.13 31.04 1nr5 s GLU 229 CO 0.00 -0.18 0.09 -1.01 0.95 0.00 0.00 175.26 175.11 1nr5 s HIS 230 N -2.47 3.33 0.25 4.83 3.76 -1.26 -4.77 115.29 118.96 1nr5 s HIS 230 Ca 0.47 0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1nr5 s HIS 230 Cb -0.10 -1.76 0.43 0.00 1.11 0.00 0.00 32.58 32.26 1nr5 s HIS 230 CO 0.36 0.57 1.82 -0.09 -0.85 0.00 0.00 174.74 176.55 1nr5 h ARG 231 N 4.18 0.82 -1.13 1.40 2.43 -1.93 -1.68 114.38 118.47 1nr5 h ARG 231 Ca -0.50 -0.05 -0.67 0.00 -0.81 0.00 0.00 59.98 57.95 1nr5 h ARG 231 Cb 1.19 -0.18 -0.31 0.00 -0.42 0.00 0.00 29.97 30.24 1nr5 h ARG 231 CO 0.62 0.54 0.64 1.19 -1.51 0.00 0.00 179.97 181.45 1nr5 n PHE 232 N -4.71 3.14 -0.40 2.20 3.72 -1.26 -4.75 117.46 115.39 1nr5 n PHE 232 Ca 0.15 -2.83 -0.10 0.00 -0.05 0.00 0.00 57.45 54.61 1nr5 n PHE 232 Cb 0.29 -1.24 -0.09 0.00 -0.94 0.00 0.00 39.48 37.51 1nr5 n PHE 232 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1nr5 h GLU 233 N 2.19 -0.02 -0.55 -1.08 4.22 -1.71 -2.77 114.58 114.86 1nr5 h GLU 233 Ca 0.56 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.01 1nr5 h GLU 233 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1nr5 h GLU 233 CO 1.45 -0.01 0.00 0.41 -2.18 0.00 0.00 179.01 178.67 1nr5 n GLY 234 N -1.27 2.52 0.09 1.92 0.00 -1.26 -4.49 105.19 102.70 1nr5 n GLY 234 Ca 0.02 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1nr5 n GLY 234 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nr5 n THR 235 N 1.17 1.62 -0.16 2.61 -2.24 -1.06 -4.79 114.28 111.44 1nr5 n THR 235 Ca 0.19 -1.93 -0.05 0.00 -2.27 0.00 0.00 64.05 60.00 1nr5 n THR 235 Cb 0.54 -0.09 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1nr5 n THR 235 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nr5 h GLU 236 N 0.00 0.46 -0.79 -0.78 5.08 -1.75 0.08 114.58 116.88 1nr5 h GLU 236 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nr5 h GLU 236 Cb 0.97 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1nr5 h GLU 236 CO 0.00 0.31 0.42 0.93 -1.00 0.00 0.00 179.01 179.67 1nr5 h GLU 237 N 0.48 1.11 -0.22 2.33 4.39 -1.91 0.18 114.58 120.93 1nr5 h GLU 237 Ca 0.21 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1nr5 h GLU 237 Cb 0.13 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1nr5 h GLU 237 CO -0.15 0.82 -0.07 0.82 -1.16 0.00 0.00 179.01 179.27 1nr5 h ILE 238 N 1.11 1.29 -0.08 3.13 1.08 -1.75 -2.16 117.51 120.13 1nr5 h ILE 238 Ca 0.28 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1nr5 h ILE 238 Cb 0.05 1.54 -0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1nr5 h ILE 238 CO -0.04 0.33 0.03 0.25 -0.69 0.00 0.00 178.15 178.03 1nr5 h LEU 239 N 0.16 0.11 -0.96 1.44 5.85 -0.70 -2.37 115.31 118.85 1nr5 h LEU 239 Ca 0.05 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1nr5 h LEU 239 Cb 0.54 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1nr5 h LEU 239 CO 0.02 0.26 0.62 0.50 -0.34 0.00 0.00 178.44 179.50 1nr5 h LYS 240 N -0.05 1.18 -0.50 1.25 3.64 -0.66 -1.90 116.57 119.54 1nr5 h LYS 240 Ca 0.03 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1nr5 h LYS 240 Cb 0.18 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1nr5 h LYS 240 CO -0.00 0.78 0.22 0.00 -2.27 0.00 0.00 179.45 178.18 1nr5 h ALA 241 N 1.39 0.65 -0.76 5.00 0.00 -1.25 -1.40 119.26 122.89 1nr5 h ALA 241 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1nr5 h ALA 241 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1nr5 h ALA 241 CO -0.12 0.24 0.26 0.00 0.00 0.00 0.00 179.25 179.64 1nr5 h ARG 242 N 0.67 1.17 -0.11 0.00 2.47 -0.98 -1.34 114.38 116.26 1nr5 h ARG 242 Ca 0.17 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1nr5 h ARG 242 Cb 0.17 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1nr5 h ARG 242 CO -0.02 0.98 -0.06 0.82 0.56 0.00 0.00 179.97 182.25 1nr5 h ILE 243 N 1.12 1.32 -0.15 2.04 2.04 -1.19 -2.85 117.51 119.84 1nr5 h ILE 243 Ca 0.25 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1nr5 h ILE 243 Cb 0.28 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1nr5 h ILE 243 CO -0.01 0.32 -0.20 -0.07 0.00 0.00 0.00 178.15 178.19 1nr5 h LEU 244 N -0.12 0.25 -0.70 1.44 4.07 -1.21 -0.45 115.31 118.59 1nr5 h LEU 244 Ca 0.02 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 1nr5 h LEU 244 Cb 0.53 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 1nr5 h LEU 244 CO 0.02 0.46 0.26 0.00 -1.08 0.00 0.00 178.44 178.10 1nr5 h ALA 245 N 1.56 0.91 -0.01 1.53 0.00 -1.20 0.95 119.26 123.00 1nr5 h ALA 245 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nr5 h ALA 245 Cb 0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nr5 h ALA 245 CO 0.03 0.55 -0.01 1.03 0.00 0.00 0.00 179.25 180.86 1nr5 h SER 246 N 1.01 0.02 -0.34 0.00 0.87 -1.21 -2.68 113.55 111.23 1nr5 h SER 246 Ca 0.23 -0.49 0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1nr5 h SER 246 Cb 0.24 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1nr5 h SER 246 CO -0.01 0.51 0.02 0.00 -0.53 0.00 0.00 176.83 176.81 1nr5 h ALA 247 N 0.52 0.32 -0.46 6.23 0.00 -0.97 -1.26 119.26 123.63 1nr5 h ALA 247 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nr5 h ALA 247 Cb 0.50 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1nr5 h ALA 247 CO 0.00 -0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.17 1nr5 h ARG 248 N 0.12 0.59 -0.52 0.00 3.08 -0.85 -0.26 114.38 116.53 1nr5 h ARG 248 Ca 0.16 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1nr5 h ARG 248 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1nr5 h ARG 248 CO -0.26 0.39 0.03 1.25 -1.07 0.00 0.00 179.97 180.31 1nr5 h HIS 249 N 0.61 0.92 -0.58 3.04 2.76 -1.22 -1.12 115.15 119.56 1nr5 h HIS 249 Ca 0.17 -0.13 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 1nr5 h HIS 249 Cb -0.06 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 1nr5 h HIS 249 CO -0.05 0.82 0.07 -0.22 -1.30 0.00 0.00 177.93 177.26 1nr5 h LYS 250 N 0.81 0.97 -0.89 5.26 3.64 -0.77 -2.04 116.57 123.55 1nr5 h LYS 250 Ca 0.16 -0.27 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1nr5 h LYS 250 Cb 0.45 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1nr5 h LYS 250 CO 0.02 0.93 0.58 0.00 -2.27 0.00 0.00 179.45 178.71 1nr5 h ALA 251 N 1.00 1.18 -0.25 5.00 0.00 -0.65 0.94 119.26 126.47 1nr5 h ALA 251 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nr5 h ALA 251 Cb 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nr5 h ALA 251 CO 0.02 0.43 0.08 -0.92 0.00 0.00 0.00 179.25 178.85 1nr5 h TYR 252 N 1.12 0.40 -0.27 0.00 3.20 -0.96 -0.45 116.97 120.01 1nr5 h TYR 252 Ca 0.36 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 1nr5 h TYR 252 Cb 0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1nr5 h TYR 252 CO -0.02 0.44 0.08 0.28 -1.64 0.00 0.00 178.16 177.31 1nr5 h VAL 253 N 0.24 1.20 -0.80 1.81 2.07 -0.89 -1.61 116.25 118.27 1nr5 h VAL 253 Ca 0.08 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1nr5 h VAL 253 Cb 0.23 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1nr5 h VAL 253 CO -0.00 0.21 0.32 0.58 0.02 0.00 0.00 177.57 178.69 1nr5 h VAL 254 N 0.26 1.26 -0.31 2.57 2.07 -0.78 -1.86 116.25 119.47 1nr5 h VAL 254 Ca 0.09 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1nr5 h VAL 254 Cb 0.24 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1nr5 h VAL 254 CO -0.00 0.34 0.10 0.28 0.02 0.00 0.00 177.57 178.30 1nr5 h SER 255 N 1.16 0.39 1.56 0.57 0.02 -0.89 -1.85 113.55 114.51 1nr5 h SER 255 Ca 0.27 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1nr5 h SER 255 Cb 0.22 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1nr5 h SER 255 CO -0.02 0.38 -0.25 0.00 -1.14 0.00 0.00 176.83 175.80 1nr5 h ALA 256 N 1.68 0.86 -0.09 3.77 0.00 -0.61 -3.42 119.26 121.46 1nr5 h ALA 256 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1nr5 h ALA 256 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1nr5 h ALA 256 CO -0.01 0.00 -0.39 -3.47 0.00 0.00 0.00 179.25 175.38 1nr5 n ASP 257 N -2.71 -2.60 -0.13 0.00 2.03 -0.76 -4.94 116.55 107.44 1nr5 n ASP 257 Ca 0.04 -2.92 -0.04 0.00 0.52 0.00 0.00 54.79 52.39 1nr5 n ASP 257 Cb 0.50 1.58 0.03 0.00 -0.72 0.00 0.00 41.12 42.51 1nr5 n ASP 257 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1nr5 h GLU 258 N 3.92 0.10 -0.92 -0.67 4.81 -1.58 -2.67 114.58 117.56 1nr5 h GLU 258 Ca -0.15 -0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 58.71 1nr5 h GLU 258 Cb 1.07 -0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.21 1nr5 h GLU 258 CO 0.19 0.07 0.47 0.54 -0.73 0.00 0.00 179.01 179.54 1nr5 n ARG 259 N -5.21 2.60 -3.58 1.92 1.74 -1.26 -4.97 116.66 107.90 1nr5 n ARG 259 Ca 0.03 -2.70 -0.24 0.00 -0.77 0.00 0.00 57.85 54.18 1nr5 n ARG 259 Cb 0.22 -2.08 0.02 0.00 -1.02 0.00 0.00 32.46 29.61 1nr5 n ARG 259 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1nr5 n GLU 260 N -0.65 -1.30 0.03 5.56 2.13 -1.01 -4.91 120.64 120.50 1nr5 n GLU 260 Ca 0.47 0.74 0.11 0.00 0.66 0.00 0.00 57.16 59.14 1nr5 n GLU 260 Cb 1.46 -4.02 0.04 0.00 0.27 0.00 0.00 31.44 29.18 1nr5 n GLU 260 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nr5 n GLY 261 N -1.70 -1.24 0.00 8.31 0.00 -1.26 -4.90 105.19 104.41 1nr5 n GLY 261 Ca -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1nr5 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr5 n GLY 262 N 1.36 -1.96 0.37 -0.02 0.00 -1.26 -5.02 105.19 98.66 1nr5 n GLY 262 Ca 0.02 0.66 0.17 0.00 0.00 0.00 0.00 46.02 46.87 1nr5 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nr5 h LEU 263 N 0.00 0.64 -2.59 0.99 5.85 -1.86 -1.36 115.31 116.97 1nr5 h LEU 263 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1nr5 h LEU 263 Cb 0.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1nr5 h LEU 263 CO 0.00 0.19 0.00 -0.09 -0.34 0.00 0.00 178.44 178.20 1nr5 h ARG 264 N 0.60 0.00 -1.06 1.25 2.43 -1.83 -1.94 114.38 113.82 1nr5 h ARG 264 Ca 0.58 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 60.03 1nr5 h ARG 264 Cb 1.14 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.59 1nr5 h ARG 264 CO -0.35 0.00 0.68 -0.91 -1.51 0.00 0.00 179.97 177.88 1nr5 h ASN 265 N 0.00 0.42 -0.43 -3.80 -0.26 -1.59 -1.58 115.58 108.34 1nr5 h ASN 265 Ca 0.00 0.08 0.13 0.00 -0.56 0.00 0.00 56.30 55.95 1nr5 h ASN 265 Cb 0.01 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1nr5 h ASN 265 CO -0.00 0.07 0.31 -0.07 -1.06 0.00 0.00 177.43 176.68 1nr5 h LEU 266 N 0.37 0.00 -0.21 1.61 3.38 -1.55 0.10 115.31 119.01 1nr5 h LEU 266 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1nr5 h LEU 266 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1nr5 h LEU 266 CO -0.30 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.41 1nr5 n LEU 267 N -4.41 0.25 -1.03 1.67 4.77 -0.59 -2.11 117.00 115.56 1nr5 n LEU 267 Ca 0.07 0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.68 1nr5 n LEU 267 Cb 0.51 -0.51 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 1nr5 n LEU 267 CO 0.36 -0.31 0.67 -3.20 -1.33 0.00 0.00 177.39 173.58 1nr5 n ASN 268 N -1.77 2.98 -4.73 -1.43 4.05 0.36 -4.93 115.26 109.78 1nr5 n ASN 268 Ca 0.04 -2.17 -0.42 0.00 0.45 0.00 0.00 54.58 52.48 1nr5 n ASN 268 Cb 0.22 -0.40 -0.01 0.00 1.23 0.00 0.00 39.78 40.82 1nr5 n ASN 268 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 177.26 176.08 1nr5 n TRP 269 N 0.76 2.70 -0.28 1.20 -0.00 -0.90 -0.77 117.44 120.16 1nr5 n TRP 269 Ca 0.17 0.33 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 1nr5 n TRP 269 Cb 0.53 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 1nr5 n TRP 269 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1nr5 n GLY 270 N 1.85 2.24 0.07 5.87 0.00 -1.26 -4.86 105.19 109.11 1nr5 n GLY 270 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1nr5 n GLY 270 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nr5 n HIS 271 N -2.00 0.59 -0.08 1.61 8.25 0.05 -1.28 115.22 122.36 1nr5 n HIS 271 Ca 0.00 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.50 1nr5 n HIS 271 Cb 0.00 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.36 1nr5 n HIS 271 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1nr5 h SER 272 N 0.00 0.55 0.44 0.41 0.02 -1.89 0.09 113.55 113.18 1nr5 h SER 272 Ca 0.00 -0.45 -0.31 0.00 -0.84 0.00 0.00 61.79 60.20 1nr5 h SER 272 Cb 0.85 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1nr5 h SER 272 CO 0.00 0.88 -1.59 0.40 -1.14 0.00 0.00 176.83 175.38 1nr5 h ILE 273 N 0.23 1.06 -0.53 3.27 2.04 -1.86 -3.25 117.51 118.47 1nr5 h ILE 273 Ca 0.04 -2.75 0.01 0.00 1.00 0.00 0.00 64.86 63.16 1nr5 h ILE 273 Cb 0.70 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 1nr5 h ILE 273 CO 0.05 0.78 0.35 1.23 0.00 0.00 0.00 178.15 180.56 1nr5 h GLY 274 N 1.96 0.75 1.75 5.37 0.00 -1.18 -1.75 103.07 109.97 1nr5 h GLY 274 Ca -0.26 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 46.66 1nr5 h GLY 274 CO 0.14 0.26 -0.52 0.45 0.00 0.00 0.00 176.54 176.87 1nr5 h HIS 275 N 0.71 0.32 -0.41 5.60 3.86 -1.12 -0.24 115.15 123.87 1nr5 h HIS 275 Ca 0.20 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1nr5 h HIS 275 Cb -0.07 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1nr5 h HIS 275 CO -0.04 0.73 -0.03 0.00 0.86 0.00 0.00 177.93 179.45 1nr5 h ALA 276 N 1.25 1.17 -0.11 2.45 0.00 -1.53 -1.50 119.26 120.99 1nr5 h ALA 276 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1nr5 h ALA 276 Cb 0.99 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nr5 h ALA 276 CO 0.08 0.54 -0.46 0.82 0.00 0.00 0.00 179.25 180.23 1nr5 h ILE 277 N 0.64 1.37 -0.85 0.00 2.04 -1.09 -3.30 117.51 116.34 1nr5 h ILE 277 Ca 0.13 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.21 1nr5 h ILE 277 Cb 0.45 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 1nr5 h ILE 277 CO 0.02 0.53 0.56 -0.08 0.00 0.00 0.00 178.15 179.18 1nr5 h GLU 278 N 0.09 1.10 -0.46 2.37 4.81 -0.78 -0.66 114.58 121.05 1nr5 h GLU 278 Ca -0.03 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1nr5 h GLU 278 Cb 1.10 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1nr5 h GLU 278 CO 0.10 0.73 0.33 0.00 -0.73 0.00 0.00 179.01 179.43 1nr5 h ALA 279 N 1.48 2.28 0.07 2.92 0.00 -1.35 0.97 119.26 125.62 1nr5 h ALA 279 Ca 0.31 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.88 1nr5 h ALA 279 Cb -0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1nr5 h ALA 279 CO -0.07 -0.40 -1.80 -0.89 0.00 0.00 0.00 179.25 176.09 1nr5 n ILE 280 N -4.43 1.68 1.08 0.00 5.41 -0.63 -4.48 119.36 117.99 1nr5 n ILE 280 Ca 0.08 -0.44 0.13 0.00 1.00 0.00 0.00 62.75 63.52 1nr5 n ILE 280 Cb 0.45 -1.83 0.41 0.00 -0.71 0.00 0.00 39.64 37.97 1nr5 n ILE 280 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1nr5 n LEU 281 N -3.81 0.42 -4.79 1.39 4.77 -0.35 -4.87 117.00 109.75 1nr5 n LEU 281 Ca -0.34 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.41 1nr5 n LEU 281 Cb 0.92 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1nr5 n LEU 281 CO 0.33 0.09 0.73 0.28 -1.33 0.00 0.00 177.39 177.49 1nr5 s THR 282 N -2.87 3.66 -2.04 -5.08 -1.32 0.31 -1.53 115.64 106.77 1nr5 s THR 282 Ca 0.16 0.99 0.15 0.00 -1.21 0.00 0.00 61.69 61.78 1nr5 s THR 282 Cb 0.18 -3.40 0.42 0.00 -1.51 0.00 0.00 72.50 68.19 1nr5 s THR 282 CO 0.61 -0.26 1.36 -0.81 -2.21 0.00 0.00 174.62 173.31 1nr5 n PRO 283 N -1.19 2.07 -0.14 7.08 -0.04 -1.26 -4.87 135.00 136.65 1nr5 n PRO 283 Ca 0.10 -1.66 -0.12 0.00 -0.04 0.00 0.00 63.50 61.77 1nr5 n PRO 283 Cb 0.52 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1nr5 n PRO 283 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1nr5 h GLN 284 N 2.76 0.91 -5.33 0.54 7.50 -1.69 -3.42 115.11 116.38 1nr5 h GLN 284 Ca 0.00 -0.41 -0.62 0.00 0.50 0.00 0.00 58.65 58.12 1nr5 h GLN 284 Cb 0.63 -0.02 -0.16 0.00 0.05 0.00 0.00 27.48 27.98 1nr5 h GLN 284 CO 0.00 1.06 -0.57 0.42 -1.50 0.00 0.00 178.83 178.24 1nr5 s ILE 285 N -4.61 4.70 0.96 2.54 -1.09 -0.58 -4.96 121.20 118.15 1nr5 s ILE 285 Ca -0.12 -0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 1nr5 s ILE 285 Cb 0.11 -3.10 0.17 0.00 -1.58 0.00 0.00 42.46 38.06 1nr5 s ILE 285 CO 0.86 0.48 1.11 -0.76 -1.23 0.00 0.00 174.94 175.39 1nr5 s LEU 286 N 0.26 1.77 0.08 2.97 1.43 -1.26 -4.32 118.68 119.61 1nr5 s LEU 286 Ca 0.03 1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 54.04 1nr5 s LEU 286 Cb -0.12 -3.34 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 1nr5 s LEU 286 CO 0.01 -2.89 1.53 -0.74 0.23 0.00 0.00 176.35 174.49 1nr5 h HIS 287 N -1.73 0.42 -0.44 0.29 -0.00 -1.98 -2.40 115.15 109.31 1nr5 h HIS 287 Ca -0.53 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 59.71 1nr5 h HIS 287 Cb 1.33 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.61 1nr5 h HIS 287 CO 0.29 0.55 -0.01 0.78 -0.00 0.00 0.00 177.93 179.54 1nr5 h GLY 288 N 0.18 0.78 1.25 5.26 0.00 -1.95 -0.36 103.07 108.22 1nr5 h GLY 288 Ca 0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1nr5 h GLY 288 CO 0.01 0.47 0.08 0.83 0.00 0.00 0.00 176.54 177.93 1nr5 h GLU 289 N 0.68 0.92 -0.08 4.80 5.08 -1.78 0.07 114.58 124.27 1nr5 h GLU 289 Ca 0.13 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1nr5 h GLU 289 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nr5 h GLU 289 CO 0.02 0.86 -0.69 0.00 -1.00 0.00 0.00 179.01 178.20 1nr5 h VAL 291 N 0.26 1.29 -0.07 0.00 2.07 -0.73 -0.91 116.25 118.16 1nr5 h VAL 291 Ca -0.02 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1nr5 h VAL 291 Cb 1.24 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1nr5 h VAL 291 CO 0.12 0.46 0.04 0.00 0.02 0.00 0.00 177.57 178.21 1nr5 h ALA 292 N 1.23 0.09 -0.70 1.67 0.00 -0.90 0.15 119.26 120.80 1nr5 h ALA 292 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nr5 h ALA 292 Cb 0.81 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1nr5 h ALA 292 CO 0.07 -0.40 0.16 0.82 0.00 0.00 0.00 179.25 179.89 1nr5 h ILE 293 N 0.07 1.26 -0.30 0.00 2.04 -1.44 -2.72 117.51 116.43 1nr5 h ILE 293 Ca 0.03 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1nr5 h ILE 293 Cb 0.02 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1nr5 h ILE 293 CO -0.01 0.38 0.04 1.23 0.00 0.00 0.00 178.15 179.80 1nr5 h GLY 294 N 1.08 0.46 0.98 5.37 0.00 -0.68 -1.93 103.07 108.35 1nr5 h GLY 294 Ca 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1nr5 h GLY 294 CO 0.01 0.23 -0.11 -0.33 0.00 0.00 0.00 176.54 176.33 1nr5 h MET 295 N 0.42 0.76 -0.17 4.80 2.86 -0.42 -0.36 114.93 122.84 1nr5 h MET 295 Ca 0.10 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1nr5 h MET 295 Cb 0.22 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1nr5 h MET 295 CO 0.00 0.91 0.03 0.28 1.06 0.00 0.00 176.91 179.19 1nr5 h VAL 296 N 0.57 1.22 -0.94 -2.22 2.07 -1.27 -0.48 116.25 115.20 1nr5 h VAL 296 Ca 0.10 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1nr5 h VAL 296 Cb 0.64 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1nr5 h VAL 296 CO 0.04 0.21 0.56 0.11 0.02 0.00 0.00 177.57 178.52 1nr5 h LYS 297 N 0.07 1.28 0.00 1.57 1.79 -1.32 -0.59 116.57 119.36 1nr5 h LYS 297 Ca 0.05 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 58.26 1nr5 h LYS 297 Cb 0.30 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1nr5 h LYS 297 CO 0.00 0.89 -0.69 0.93 -1.08 0.00 0.00 179.45 179.50 1nr5 h GLU 298 N 1.30 0.00 -0.34 3.15 5.08 -0.96 -1.38 114.58 121.44 1nr5 h GLU 298 Ca 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 1nr5 h GLU 298 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1nr5 h GLU 298 CO -0.06 0.69 -0.26 0.00 -1.00 0.00 0.00 179.01 178.38 1nr5 h ALA 299 N 1.31 0.49 -0.88 3.43 0.00 -0.70 -1.65 119.26 121.25 1nr5 h ALA 299 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1nr5 h ALA 299 Cb 1.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1nr5 h ALA 299 CO 0.09 0.49 0.51 0.93 0.00 0.00 0.00 179.25 181.28 1nr5 h GLU 300 N 0.55 1.21 -0.80 0.00 5.08 -1.01 0.50 114.58 120.12 1nr5 h GLU 300 Ca 0.06 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1nr5 h GLU 300 Cb 0.83 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1nr5 h GLU 300 CO 0.07 0.86 0.32 1.25 -1.00 0.00 0.00 179.01 180.51 1nr5 h LEU 301 N 1.22 1.11 -0.75 1.33 5.85 -1.10 0.18 115.31 123.15 1nr5 h LEU 301 Ca 0.31 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1nr5 h LEU 301 Cb -0.02 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1nr5 h LEU 301 CO -0.06 0.98 -0.16 0.00 -0.34 0.00 0.00 178.44 178.87 1nr5 h ALA 302 N 1.18 0.94 -0.44 1.25 0.00 -0.36 -1.44 119.26 120.38 1nr5 h ALA 302 Ca 0.27 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1nr5 h ALA 302 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nr5 h ALA 302 CO -0.02 0.62 -0.12 -0.09 0.00 0.00 0.00 179.25 179.63 1nr5 h ARG 303 N 0.70 0.86 -0.69 0.00 2.43 -0.42 -0.13 114.38 117.13 1nr5 h ARG 303 Ca 0.11 -0.34 0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1nr5 h ARG 303 Cb 0.65 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1nr5 h ARG 303 CO 0.05 0.98 0.46 1.25 -1.51 0.00 0.00 179.97 181.19 1nr5 h HIS 304 N 0.70 0.63 -0.18 2.20 2.76 -0.28 0.89 115.15 121.87 1nr5 h HIS 304 Ca 0.11 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1nr5 h HIS 304 Cb 0.66 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1nr5 h HIS 304 CO 0.05 0.31 0.00 1.28 -1.30 0.00 0.00 177.93 178.27 1nr5 n LEU 305 N -4.49 1.15 -0.63 0.26 4.77 -0.58 -4.89 117.00 112.59 1nr5 n LEU 305 Ca 0.11 -0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 55.47 1nr5 n LEU 305 Cb 0.31 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1nr5 n LEU 305 CO 0.33 0.27 -0.08 0.61 -1.33 0.00 0.00 177.39 177.19 1nr5 n GLY 306 N 0.91 0.99 0.12 -0.72 0.00 0.31 -4.90 105.19 101.90 1nr5 n GLY 306 Ca 0.10 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1nr5 n GLY 306 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nr5 n ILE 307 N -2.65 1.63 -4.59 -0.61 5.41 -0.10 -4.95 119.36 113.50 1nr5 n ILE 307 Ca -0.08 -0.68 -0.31 0.00 1.00 0.00 0.00 62.75 62.67 1nr5 n ILE 307 Cb 0.33 -1.36 -0.12 0.00 -0.71 0.00 0.00 39.64 37.77 1nr5 n ILE 307 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1nr5 s LEU 308 N -6.53 2.72 0.33 1.39 2.96 -1.00 -4.45 118.68 114.10 1nr5 s LEU 308 Ca -0.21 -0.39 -0.27 0.00 -0.22 0.00 0.00 54.13 53.04 1nr5 s LEU 308 Cb 0.07 -1.58 -0.09 0.00 0.50 0.00 0.00 46.19 45.09 1nr5 s LEU 308 CO 0.74 0.25 1.10 -0.75 -1.32 0.00 0.00 176.35 176.38 1nr5 s LYS 309 N -1.51 4.42 0.43 1.98 2.47 -1.26 -4.10 119.74 122.17 1nr5 s LYS 309 Ca 0.16 1.75 0.11 0.00 -1.56 0.00 0.00 55.97 56.43 1nr5 s LYS 309 Cb -0.11 -2.94 0.95 0.00 -1.46 0.00 0.00 37.83 34.27 1nr5 s LYS 309 CO 0.06 0.03 2.02 0.78 0.16 0.00 0.00 175.35 178.40 1nr5 h GLY 310 N 3.28 0.23 1.80 5.54 0.00 -1.98 -0.78 103.07 111.17 1nr5 h GLY 310 Ca -0.47 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1nr5 h GLY 310 CO 0.65 0.11 -0.25 -2.08 0.00 0.00 0.00 176.54 174.97 1nr5 h VAL 311 N 0.22 1.23 -0.47 4.60 2.07 -2.00 -2.35 116.25 119.56 1nr5 h VAL 311 Ca 0.05 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 1nr5 h VAL 311 Cb 0.18 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1nr5 h VAL 311 CO 0.00 0.33 -0.09 0.00 0.02 0.00 0.00 177.57 177.84 1nr5 h ALA 312 N 1.53 0.64 -0.01 1.67 0.00 -1.53 -2.31 119.26 119.25 1nr5 h ALA 312 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nr5 h ALA 312 Cb 0.56 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nr5 h ALA 312 CO 0.04 0.52 0.01 0.28 0.00 0.00 0.00 179.25 180.09 1nr5 h VAL 313 N 0.73 1.04 -0.64 0.00 2.07 -1.16 -1.64 116.25 116.64 1nr5 h VAL 313 Ca 0.12 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1nr5 h VAL 313 Cb 0.63 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1nr5 h VAL 313 CO 0.04 0.03 0.42 0.28 0.02 0.00 0.00 177.57 178.36 1nr5 h SER 314 N -0.03 0.55 -0.10 0.57 0.02 -1.38 -0.65 113.55 112.53 1nr5 h SER 314 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1nr5 h SER 314 Cb 0.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1nr5 h SER 314 CO -0.00 0.36 -0.42 -0.09 -1.14 0.00 0.00 176.83 175.54 1nr5 h ARG 315 N 0.63 0.64 -0.24 3.45 2.43 -1.00 -1.27 114.38 119.03 1nr5 h ARG 315 Ca 0.27 -0.34 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1nr5 h ARG 315 Cb 0.28 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1nr5 h ARG 315 CO -0.08 0.94 -0.16 0.82 -1.51 0.00 0.00 179.97 179.98 1nr5 h ILE 316 N 0.52 1.31 -0.56 1.20 2.04 -0.30 -2.23 117.51 119.49 1nr5 h ILE 316 Ca 0.04 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1nr5 h ILE 316 Cb 0.95 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1nr5 h ILE 316 CO 0.09 0.40 0.35 0.58 0.00 0.00 0.00 178.15 179.56 1nr5 h VAL 317 N 0.23 1.09 -0.10 1.67 2.07 -1.04 -1.61 116.25 118.56 1nr5 h VAL 317 Ca 0.05 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1nr5 h VAL 317 Cb 0.69 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1nr5 h VAL 317 CO 0.04 0.13 -0.40 0.11 0.02 0.00 0.00 177.57 177.47 1nr5 h LYS 318 N 0.70 0.21 -0.29 1.57 1.57 -1.21 -0.21 116.57 118.90 1nr5 h LYS 318 Ca 0.22 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1nr5 h LYS 318 Cb -0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1nr5 h LYS 318 CO -0.08 0.59 -0.22 0.00 -0.57 0.00 0.00 179.45 179.17 1nr5 h LEU 320 N 0.41 0.53 -1.23 0.00 3.38 -1.14 -2.81 115.31 114.45 1nr5 h LEU 320 Ca 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1nr5 h LEU 320 Cb 0.77 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1nr5 h LEU 320 CO 0.06 0.64 0.32 0.00 0.09 0.00 0.00 178.44 179.55 1nr5 h ALA 321 N 0.91 1.41 0.00 1.53 0.00 -0.97 -1.91 119.26 120.21 1nr5 h ALA 321 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nr5 h ALA 321 Cb 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nr5 h ALA 321 CO 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 179.25 179.72 1nr5 h ALA 322 N 1.49 1.36 -0.02 0.00 0.00 -0.76 -1.35 119.26 119.98 1nr5 h ALA 322 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nr5 h ALA 322 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nr5 h ALA 322 CO -0.03 0.02 -0.27 0.66 0.00 0.00 0.00 179.25 179.63 1nr5 n TYR 323 N -3.63 0.00 -0.34 0.00 4.01 -0.89 -4.79 117.16 111.52 1nr5 n TYR 323 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1nr5 n TYR 323 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1nr5 n TYR 323 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nr5 n GLY 324 N 1.38 0.81 3.82 2.72 0.00 -0.51 -4.91 105.19 108.50 1nr5 n GLY 324 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1nr5 n GLY 324 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nr5 s LEU 325 N 0.00 4.13 0.50 0.99 1.43 -0.77 -5.00 118.68 119.95 1nr5 s LEU 325 Ca 0.00 1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.40 1nr5 s LEU 325 Cb 0.00 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.06 1nr5 s LEU 325 CO 0.00 -0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.33 1nr5 s PRO 326 N -2.68 3.67 0.00 1.29 0.04 -1.26 -4.14 135.00 131.91 1nr5 s PRO 326 Ca 0.53 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1nr5 s PRO 326 Cb -0.13 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1nr5 s PRO 326 CO 0.18 -0.57 0.76 0.25 0.04 0.00 0.00 177.00 177.66 1nr5 n THR 327 N -0.95 0.58 -3.49 1.26 -2.24 -1.26 -3.75 114.28 104.43 1nr5 n THR 327 Ca 0.10 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 1nr5 n THR 327 Cb 0.51 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1nr5 n THR 327 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nr5 s SER 328 N -0.58 -0.41 0.05 3.42 1.04 -1.26 -4.84 113.70 111.12 1nr5 s SER 328 Ca 0.00 0.03 0.18 0.00 0.48 0.00 0.00 55.95 56.64 1nr5 s SER 328 Cb 0.00 0.42 0.77 0.00 0.10 0.00 0.00 66.02 67.31 1nr5 s SER 328 CO 0.00 -0.68 1.58 0.18 0.98 0.00 0.00 173.24 175.30 1nr5 n LEU 329 N -0.21 0.15 -0.56 2.42 4.77 -1.26 -1.89 117.00 120.42 1nr5 n LEU 329 Ca -0.11 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 1nr5 n LEU 329 Cb 0.62 -0.51 0.45 0.00 -2.33 0.00 0.00 43.42 41.66 1nr5 n LEU 329 CO 0.11 -0.28 0.83 0.29 -1.33 0.00 0.00 177.39 177.02 1nr5 n LYS 330 N -1.66 1.77 -1.64 3.23 5.02 -1.26 -4.63 118.16 118.99 1nr5 n LYS 330 Ca 0.04 -1.13 -0.40 0.00 -2.02 0.00 0.00 58.31 54.80 1nr5 n LYS 330 Cb 0.21 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1nr5 n LYS 330 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nr5 n ASP 331 N 0.37 1.46 0.12 4.39 -0.08 -0.79 -4.86 116.55 117.16 1nr5 n ASP 331 Ca 0.18 0.99 -0.13 0.00 -1.51 0.00 0.00 54.79 54.33 1nr5 n ASP 331 Cb 0.39 -1.40 -0.06 0.00 2.34 0.00 0.00 41.12 42.40 1nr5 n ASP 331 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nr5 h ALA 332 N 1.40 -0.38 0.31 -1.67 0.00 -1.91 -2.72 119.26 114.28 1nr5 h ALA 332 Ca -0.46 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nr5 h ALA 332 Cb 1.33 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1nr5 h ALA 332 CO 0.56 -0.75 -0.52 0.00 0.00 0.00 0.00 179.25 178.54 1nr5 h ARG 333 N -0.41 -0.85 -0.96 0.00 3.08 -1.98 -1.67 114.38 111.58 1nr5 h ARG 333 Ca 0.02 0.06 0.31 0.00 0.07 0.00 0.00 59.98 60.44 1nr5 h ARG 333 Cb 0.42 0.19 -0.16 0.00 0.08 0.00 0.00 29.97 30.50 1nr5 h ARG 333 CO -0.10 -0.57 0.33 0.82 -1.07 0.00 0.00 179.97 179.38 1nr5 h ILE 334 N -0.89 0.15 -0.25 2.04 1.08 -1.90 0.26 117.51 118.00 1nr5 h ILE 334 Ca -0.03 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1nr5 h ILE 334 Cb 0.82 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1nr5 h ILE 334 CO -0.18 0.02 0.12 0.03 -0.69 0.00 0.00 178.15 177.45 1nr5 h ARG 335 N 0.12 0.36 0.11 2.37 2.47 -1.00 -1.52 114.38 117.28 1nr5 h ARG 335 Ca 0.68 -0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 59.06 1nr5 h ARG 335 Cb 1.56 -0.06 0.02 0.00 -1.65 0.00 0.00 29.97 29.84 1nr5 h ARG 335 CO -0.75 0.36 -1.21 1.57 0.56 0.00 0.00 179.97 180.49 1nr5 h LYS 336 N 0.27 0.58 -0.09 0.04 2.10 -0.12 -3.05 116.57 116.30 1nr5 h LYS 336 Ca 0.09 -0.76 -0.09 0.00 -2.00 0.00 0.00 60.65 57.88 1nr5 h LYS 336 Cb 0.12 0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1nr5 h LYS 336 CO -0.01 1.34 -0.37 -0.07 -2.00 0.00 0.00 179.45 178.34 1nr5 h LEU 337 N 0.26 0.19 -3.89 7.07 3.38 -0.68 -2.87 115.31 118.77 1nr5 h LEU 337 Ca -0.17 -0.07 -0.59 0.00 0.09 0.00 0.00 57.88 57.13 1nr5 h LEU 337 Cb 1.89 -0.05 -0.31 0.00 0.09 0.00 0.00 40.66 42.27 1nr5 h LEU 337 CO 0.23 0.55 0.39 0.35 0.09 0.00 0.00 178.44 180.05 1nr5 n THR 338 N -4.07 3.25 -1.48 0.22 -2.24 -0.57 -4.91 114.28 104.49 1nr5 n THR 338 Ca -0.01 -3.10 -0.44 0.00 -2.27 0.00 0.00 64.05 58.23 1nr5 n THR 338 Cb 0.44 -1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 67.57 1nr5 n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr5 n ALA 339 N -0.92 0.75 -0.48 6.98 0.00 -1.09 -1.08 120.51 124.68 1nr5 n ALA 339 Ca 0.56 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nr5 n ALA 339 Cb 0.87 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1nr5 n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr5 n GLY 340 N 6.43 0.85 3.36 0.00 0.00 -1.26 -5.11 105.19 109.46 1nr5 n GLY 340 Ca 0.47 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 1nr5 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr5 s LYS 341 N -0.72 0.44 -0.01 1.61 1.02 -0.24 -5.16 119.74 116.67 1nr5 s LYS 341 Ca 0.00 1.00 0.02 0.00 0.02 0.00 0.00 55.97 57.01 1nr5 s LYS 341 Cb 0.00 0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1nr5 s LYS 341 CO 0.00 -0.19 -0.06 -1.58 -0.92 0.00 0.00 175.35 172.60 1nr5 s HIS 342 N 1.97 0.54 -0.53 3.18 5.65 -1.26 -4.97 115.29 119.87 1nr5 s HIS 342 Ca -0.07 -0.11 -0.18 0.00 0.25 0.00 0.00 55.06 54.96 1nr5 s HIS 342 Cb -0.09 -0.38 0.09 0.00 -1.18 0.00 0.00 32.58 31.02 1nr5 s HIS 342 CO -0.15 -0.03 0.58 0.00 -0.65 0.00 0.00 174.74 174.50 1nr5 s SER 344 N 3.12 6.58 0.35 0.00 1.04 -1.26 -4.93 113.70 118.61 1nr5 s SER 344 Ca 0.10 1.38 0.08 0.00 0.48 0.00 0.00 55.95 57.99 1nr5 s SER 344 Cb -0.24 -2.43 0.79 0.00 0.10 0.00 0.00 66.02 64.24 1nr5 s SER 344 CO 0.08 -0.50 1.89 0.58 0.98 0.00 0.00 173.24 176.26 1nr5 h VAL 345 N 1.01 0.88 -0.31 5.02 2.07 -1.97 -1.86 116.25 121.10 1nr5 h VAL 345 Ca -0.47 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 66.62 1nr5 h VAL 345 Cb 1.19 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1nr5 h VAL 345 CO 0.63 0.13 -0.53 0.44 0.02 0.00 0.00 177.57 178.26 1nr5 h ASP 346 N 0.72 0.99 -0.40 0.57 3.32 -1.98 -1.19 116.42 118.46 1nr5 h ASP 346 Ca 0.42 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 1nr5 h ASP 346 Cb 0.61 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1nr5 h ASP 346 CO -0.18 1.33 -0.09 -0.61 -1.72 0.00 0.00 179.24 177.96 1nr5 h GLN 347 N 0.69 0.84 -0.38 3.56 5.75 -1.83 -0.30 115.11 123.45 1nr5 h GLN 347 Ca 0.02 -0.28 -0.07 0.00 -0.15 0.00 0.00 58.65 58.17 1nr5 h GLN 347 Cb 1.14 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1nr5 h GLN 347 CO 0.12 0.90 -0.04 -0.07 -2.65 0.00 0.00 178.83 177.09 1nr5 h LEU 348 N 0.76 0.70 -1.29 -2.39 3.38 -1.30 -0.37 115.31 114.80 1nr5 h LEU 348 Ca 0.13 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1nr5 h LEU 348 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1nr5 h LEU 348 CO 0.04 0.87 -0.13 0.24 0.09 0.00 0.00 178.44 179.55 1nr5 h MET 349 N 0.52 0.32 -0.34 1.13 2.86 -0.96 -1.10 114.93 117.37 1nr5 h MET 349 Ca 0.10 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 1nr5 h MET 349 Cb 0.54 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1nr5 h MET 349 CO 0.03 0.46 -0.14 0.35 1.06 0.00 0.00 176.91 178.66 1nr5 h PHE 350 N 0.30 0.80 -0.01 -0.22 3.57 -0.68 -2.95 116.94 117.76 1nr5 h PHE 350 Ca 0.06 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.29 1nr5 h PHE 350 Cb 0.42 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1nr5 h PHE 350 CO 0.01 0.89 -0.36 -0.91 -2.23 0.00 0.00 178.31 175.71 1nr5 h ASN 351 N 0.48 0.01 0.99 0.41 2.35 -0.41 -2.49 115.58 116.93 1nr5 h ASN 351 Ca 0.08 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1nr5 h ASN 351 Cb 0.67 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1nr5 h ASN 351 CO 0.05 0.38 0.00 0.24 -1.65 0.00 0.00 177.43 176.44 1nr5 h MET 352 N 0.01 0.00 0.00 0.81 2.86 -1.06 -2.14 114.93 115.42 1nr5 h MET 352 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nr5 h MET 352 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1nr5 h MET 352 CO 0.05 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.02 1nr5 n ALA 353 N -2.01 1.80 1.15 6.32 0.00 -0.94 -2.15 120.51 124.68 1nr5 n ALA 353 Ca 0.01 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1nr5 n ALA 353 Cb 0.30 -1.40 0.29 0.00 0.00 0.00 0.00 19.45 18.64 1nr5 n ALA 353 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nr5 n LEU 354 N -2.23 2.36 -4.71 0.00 4.77 -0.80 -4.94 117.00 111.44 1nr5 n LEU 354 Ca 0.03 -0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 54.76 1nr5 n LEU 354 Cb 0.27 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1nr5 n LEU 354 CO 0.22 0.41 1.36 -0.62 -1.33 0.00 0.00 177.39 177.43 1nr5 s ASP 355 N -1.92 6.44 0.30 -1.43 -1.08 -0.91 -4.88 116.67 113.19 1nr5 s ASP 355 Ca 0.33 2.78 0.24 0.00 -0.52 0.00 0.00 52.55 55.38 1nr5 s ASP 355 Cb 0.20 -2.59 1.09 0.00 -1.46 0.00 0.00 42.92 40.17 1nr5 s ASP 355 CO 0.31 -0.94 1.72 0.11 0.52 0.00 0.00 175.17 176.89 1nr5 h LYS 356 N 7.17 0.00 0.00 4.34 1.57 -1.92 -2.65 116.57 125.09 1nr5 h LYS 356 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1nr5 h LYS 356 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1nr5 h LYS 356 CO 0.95 0.00 -0.12 0.87 -0.57 0.00 0.00 179.45 180.58 1nr5 h LYS 357 N 0.00 0.00 -6.88 3.15 1.57 -1.90 -3.47 116.57 109.04 1nr5 h LYS 357 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1nr5 h LYS 357 Cb 0.25 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.64 1nr5 h LYS 357 CO 0.00 0.00 0.79 -0.80 -0.57 0.00 0.00 179.45 178.87 1nr5 s ASN 358 N -4.99 6.44 -0.51 0.86 0.01 -1.00 -4.62 114.94 111.13 1nr5 s ASN 358 Ca 0.09 2.94 -0.15 0.00 -0.71 0.00 0.00 52.86 55.02 1nr5 s ASN 358 Cb 0.10 -2.65 0.11 0.00 0.41 0.00 0.00 41.25 39.22 1nr5 s ASN 358 CO 0.64 -0.82 0.45 -0.62 -1.51 0.00 0.00 177.10 175.23 1nr5 s ASP 359 N 0.05 6.12 1.57 -1.22 2.15 -0.62 -4.93 116.67 119.79 1nr5 s ASP 359 Ca 0.56 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 51.91 1nr5 s ASP 359 Cb -0.46 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1nr5 s ASP 359 CO 0.55 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1nr5 n GLY 360 N 5.20 3.34 0.09 2.66 0.00 -1.26 -0.99 105.19 114.23 1nr5 n GLY 360 Ca -0.13 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 45.88 1nr5 n GLY 360 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nr5 n PRO 361 N 14.00 0.84 -2.76 1.61 -0.04 -1.26 -4.82 135.00 142.58 1nr5 n PRO 361 Ca 0.00 -0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 1nr5 n PRO 361 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1nr5 n PRO 361 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1nr5 s LYS 362 N -2.28 4.03 0.28 0.54 1.02 -0.16 -5.03 119.74 118.15 1nr5 s LYS 362 Ca 0.37 0.90 -0.29 0.00 0.02 0.00 0.00 55.97 56.96 1nr5 s LYS 362 Cb 0.21 -3.73 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 1nr5 s LYS 362 CO 0.42 -0.80 1.05 0.15 -0.92 0.00 0.00 175.35 175.25 1nr5 s LYS 363 N 3.36 4.66 -0.10 1.68 1.02 -1.26 -1.58 119.74 127.52 1nr5 s LYS 363 Ca 0.40 1.69 0.03 0.00 0.02 0.00 0.00 55.97 58.12 1nr5 s LYS 363 Cb -0.13 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1nr5 s LYS 363 CO 0.14 0.27 -0.21 0.15 -0.92 0.00 0.00 175.35 174.77 1nr5 s LYS 364 N -1.48 2.77 0.04 1.68 1.02 -1.26 -1.89 119.74 120.62 1nr5 s LYS 364 Ca 0.45 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.71 1nr5 s LYS 364 Cb -0.29 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1nr5 s LYS 364 CO 0.37 0.13 -0.14 0.42 -0.92 0.00 0.00 175.35 175.20 1nr5 s ILE 365 N 0.47 1.13 -0.13 2.17 1.01 0.27 -4.77 121.20 121.35 1nr5 s ILE 365 Ca -0.17 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 1nr5 s ILE 365 Cb -0.17 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1nr5 s ILE 365 CO 0.07 0.01 0.99 -0.69 0.00 0.00 0.00 174.94 175.31 1nr5 s VAL 366 N -0.85 4.78 -0.17 2.92 1.01 -1.26 0.12 120.40 126.95 1nr5 s VAL 366 Ca 0.02 1.99 -0.03 0.00 0.00 0.00 0.00 61.98 63.95 1nr5 s VAL 366 Cb -0.08 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1nr5 s VAL 366 CO 0.01 -0.01 -0.05 -0.76 0.00 0.00 0.00 175.10 174.29 1nr5 s LEU 367 N 2.17 3.07 0.06 3.92 1.43 -1.26 -4.78 118.68 123.28 1nr5 s LEU 367 Ca 0.46 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 1nr5 s LEU 367 Cb -0.18 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1nr5 s LEU 367 CO 0.16 0.12 0.47 -0.76 0.23 0.00 0.00 176.35 176.57 1nr5 s LEU 368 N 0.66 4.44 -0.04 1.79 1.43 -1.26 0.23 118.68 125.93 1nr5 s LEU 368 Ca -0.03 1.03 0.19 0.00 -1.03 0.00 0.00 54.13 54.29 1nr5 s LEU 368 Cb -0.15 -2.87 -0.29 0.00 0.03 0.00 0.00 46.19 42.92 1nr5 s LEU 368 CO 0.02 0.24 0.39 -1.54 0.23 0.00 0.00 176.35 175.69 1nr5 n SER 369 N 1.43 0.62 -3.54 2.29 3.41 -0.06 -3.96 113.62 113.82 1nr5 n SER 369 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 1nr5 n SER 369 Cb 0.52 1.80 -0.03 0.00 -0.26 0.00 0.00 64.21 66.24 1nr5 n SER 369 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr5 s ALA 370 N -3.26 -1.88 -0.01 7.33 0.00 -0.97 -4.39 121.76 118.58 1nr5 s ALA 370 Ca -0.07 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 1nr5 s ALA 370 Cb 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 1nr5 s ALA 370 CO 0.79 -0.57 1.99 -0.89 0.00 0.00 0.00 175.76 177.08 1nr5 n ILE 371 N 0.06 0.70 -0.38 0.00 -0.00 -1.26 0.02 119.36 118.49 1nr5 n ILE 371 Ca -0.08 -0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.50 1nr5 n ILE 371 Cb 0.60 -2.26 0.00 0.00 -0.00 0.00 0.00 39.64 37.98 1nr5 n ILE 371 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nr5 n GLY 372 N 4.67 0.71 2.60 7.39 0.00 0.32 -4.20 105.19 116.68 1nr5 n GLY 372 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1nr5 n GLY 372 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nr5 s THR 373 N -2.63 -0.01 0.53 2.61 2.01 0.10 -4.18 115.64 114.07 1nr5 s THR 373 Ca 0.00 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.37 1nr5 s THR 373 Cb 0.00 -0.78 -0.07 0.00 0.01 0.00 0.00 72.50 71.66 1nr5 s THR 373 CO 0.00 -0.44 1.10 -2.84 -0.69 0.00 0.00 174.62 171.74 1nr5 s PRO 374 N 2.09 3.49 0.15 4.92 0.02 -1.26 -0.88 135.00 143.53 1nr5 s PRO 374 Ca 0.04 1.51 -0.15 0.00 0.02 0.00 0.00 61.00 62.43 1nr5 s PRO 374 Cb -0.16 -2.04 0.03 0.00 0.02 0.00 0.00 34.50 32.35 1nr5 s PRO 374 CO -0.19 -0.71 1.73 -0.92 -0.33 0.00 0.00 177.00 176.57 1nr5 h TYR 375 N 1.27 0.68 -4.22 6.54 3.20 -0.50 -3.42 116.97 120.53 1nr5 h TYR 375 Ca -0.50 -0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.10 1nr5 h TYR 375 Cb 1.25 -0.21 -0.15 0.00 1.54 0.00 0.00 36.73 39.16 1nr5 h TYR 375 CO 0.53 0.55 -0.64 -1.21 -1.64 0.00 0.00 178.16 175.75 1nr5 s GLU 376 N -5.69 1.07 -0.28 1.82 2.02 -1.26 -4.99 118.70 111.39 1nr5 s GLU 376 Ca -0.13 -1.53 -0.02 0.00 0.02 0.00 0.00 54.97 53.31 1nr5 s GLU 376 Cb 0.11 0.07 0.09 0.00 0.10 0.00 0.00 34.13 34.50 1nr5 s GLU 376 CO 0.76 -0.25 2.39 0.25 0.02 0.00 0.00 175.26 178.43 1nr5 n THR 377 N -0.20 2.85 -3.65 3.63 -2.24 -1.26 -4.79 114.28 108.62 1nr5 n THR 377 Ca -0.04 -1.86 0.02 0.00 -2.27 0.00 0.00 64.05 59.91 1nr5 n THR 377 Cb 0.64 -1.50 -0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1nr5 n THR 377 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr5 s ARG 378 N -1.27 0.32 0.38 -0.78 1.70 -1.26 -2.66 118.95 115.38 1nr5 s ARG 378 Ca 0.38 -0.18 -0.24 0.00 -0.47 0.00 0.00 55.73 55.23 1nr5 s ARG 378 Cb 0.26 0.10 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 1nr5 s ARG 378 CO -0.06 -0.15 0.98 0.00 -1.08 0.00 0.00 175.30 174.99 1nr5 s ALA 379 N -2.29 3.12 0.11 7.88 0.00 -1.26 -4.73 121.76 124.59 1nr5 s ALA 379 Ca 0.16 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1nr5 s ALA 379 Cb 0.05 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1nr5 s ALA 379 CO -0.04 0.05 0.18 -1.12 0.00 0.00 0.00 175.76 174.83 1nr5 s SER 380 N -1.77 5.94 0.08 0.00 0.01 0.12 -4.73 113.70 113.35 1nr5 s SER 380 Ca 0.56 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.59 1nr5 s SER 380 Cb -0.17 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.30 1nr5 s SER 380 CO 0.22 0.12 1.20 -0.69 0.41 0.00 0.00 173.24 174.49 1nr5 s VAL 381 N -1.60 3.96 -0.02 3.43 1.01 -1.26 -0.57 120.40 125.36 1nr5 s VAL 381 Ca 0.32 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.78 1nr5 s VAL 381 Cb -0.12 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1nr5 s VAL 381 CO 0.25 0.13 -0.11 -0.69 0.00 0.00 0.00 175.10 174.69 1nr5 s VAL 382 N 0.86 0.88 0.45 2.92 1.01 -0.79 -4.94 120.40 120.79 1nr5 s VAL 382 Ca 0.58 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 1nr5 s VAL 382 Cb -0.30 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 1nr5 s VAL 382 CO 0.30 0.26 1.15 0.00 0.00 0.00 0.00 175.10 176.82 1nr5 s ALA 383 N 0.03 2.98 0.29 5.51 0.00 -1.26 -4.26 121.76 125.05 1nr5 s ALA 383 Ca -0.01 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1nr5 s ALA 383 Cb -0.07 -3.37 0.52 0.00 0.00 0.00 0.00 23.12 20.20 1nr5 s ALA 383 CO 0.00 -0.60 1.89 -0.91 0.00 0.00 0.00 175.76 176.15 1nr5 h ASN 384 N 2.07 0.93 -0.47 0.00 2.35 -1.97 -2.29 115.58 116.20 1nr5 h ASN 384 Ca -0.49 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.30 1nr5 h ASN 384 Cb 1.24 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 1nr5 h ASN 384 CO 0.60 0.58 0.26 -0.33 -1.65 0.00 0.00 177.43 176.89 1nr5 h GLU 385 N 1.05 0.50 -0.83 0.81 5.08 -2.00 -0.31 114.58 118.89 1nr5 h GLU 385 Ca 0.42 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1nr5 h GLU 385 Cb 0.26 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1nr5 h GLU 385 CO -0.18 0.33 0.37 -0.44 -1.00 0.00 0.00 179.01 178.10 1nr5 h ASP 386 N 0.52 1.12 -0.54 1.42 3.32 -1.81 -2.69 116.42 117.76 1nr5 h ASP 386 Ca 0.20 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1nr5 h ASP 386 Cb 0.06 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1nr5 h ASP 386 CO -0.11 0.96 0.14 0.40 -1.72 0.00 0.00 179.24 178.91 1nr5 h ILE 387 N 1.20 1.24 -0.96 0.35 2.04 -1.05 -3.08 117.51 117.25 1nr5 h ILE 387 Ca 0.28 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.33 1nr5 h ILE 387 Cb 0.17 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1nr5 h ILE 387 CO -0.03 0.32 0.63 0.03 0.00 0.00 0.00 178.15 179.09 1nr5 h ARG 388 N 0.76 1.13 -0.10 2.37 3.08 -0.76 -2.51 114.38 118.35 1nr5 h ARG 388 Ca 0.17 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1nr5 h ARG 388 Cb 0.33 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1nr5 h ARG 388 CO 0.00 0.75 -0.12 -0.39 -1.07 0.00 0.00 179.97 179.13 1nr5 h VAL 389 N 1.16 1.15 0.00 2.04 -1.51 -1.40 -1.96 116.25 115.73 1nr5 h VAL 389 Ca 0.40 -0.65 -0.08 0.00 -1.23 0.00 0.00 66.70 65.14 1nr5 h VAL 389 Cb 0.09 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 1nr5 h VAL 389 CO -0.14 0.20 -0.36 -0.37 -1.23 0.00 0.00 177.57 175.67 1nr5 h VAL 390 N 0.14 0.66 0.00 7.19 -1.51 -1.49 -3.26 116.25 117.97 1nr5 h VAL 390 Ca 0.03 -1.81 -0.06 0.00 -1.23 0.00 0.00 66.70 63.63 1nr5 h VAL 390 Cb 0.31 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1nr5 h VAL 390 CO 0.02 0.36 -1.04 -0.07 -1.23 0.00 0.00 177.57 175.61 1nr5 h LEU 391 N 0.00 0.00 0.00 4.19 3.38 -1.28 -3.50 115.31 118.11 1nr5 h LEU 391 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nr5 h LEU 391 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1nr5 h LEU 391 CO 0.05 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.79