#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr5 s THR 5 N 0.00 4.92 -0.04 0.52 2.01 0.06 -4.89 115.64 118.22 1nr5 s THR 5 Ca 0.00 1.32 0.06 0.00 0.31 0.00 0.00 61.69 63.38 1nr5 s THR 5 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1nr5 s THR 5 CO 0.00 0.38 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.56 1nr5 s LYS 6 N 0.02 2.35 -0.06 4.92 1.02 -1.26 -0.49 119.74 126.24 1nr5 s LYS 6 Ca 0.33 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1nr5 s LYS 6 Cb -0.18 -2.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1nr5 s LYS 6 CO 0.18 0.55 -0.10 0.42 -0.92 0.00 0.00 175.35 175.48 1nr5 s ILE 7 N -0.56 0.95 0.23 2.17 1.01 -0.56 -5.03 121.20 119.41 1nr5 s ILE 7 Ca 0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1nr5 s ILE 7 Cb -0.11 -0.90 -0.08 0.00 0.01 0.00 0.00 42.46 41.38 1nr5 s ILE 7 CO 0.00 0.32 0.68 -0.44 0.00 0.00 0.00 174.94 175.50 1nr5 s SER 8 N 0.80 6.92 -0.13 3.58 0.01 -1.26 -2.58 113.70 121.04 1nr5 s SER 8 Ca -0.12 1.28 -0.07 0.00 1.31 0.00 0.00 55.95 58.35 1nr5 s SER 8 Cb -0.15 -2.37 0.05 0.00 0.21 0.00 0.00 66.02 63.76 1nr5 s SER 8 CO 0.02 -0.01 0.31 -0.51 0.41 0.00 0.00 173.24 173.45 1nr5 s ILE 9 N -1.63 -0.04 -1.41 1.44 2.07 0.60 -4.83 121.20 117.41 1nr5 s ILE 9 Ca 0.45 0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.75 1nr5 s ILE 9 Cb -0.14 -0.46 0.04 0.00 0.13 0.00 0.00 42.46 42.02 1nr5 s ILE 9 CO 0.20 0.05 0.84 0.18 -1.91 0.00 0.00 174.94 174.30 1nr5 n LEU 10 N 4.25 -2.87 -0.31 8.50 4.77 -1.26 -1.74 117.00 128.34 1nr5 n LEU 10 Ca -0.25 -0.79 -0.04 0.00 -0.03 0.00 0.00 56.01 54.90 1nr5 n LEU 10 Cb 0.54 -2.63 -0.02 0.00 -2.33 0.00 0.00 43.42 38.98 1nr5 n LEU 10 CO 0.12 0.44 -0.04 0.61 -1.33 0.00 0.00 177.39 177.20 1nr5 n GLY 11 N -1.65 0.58 3.09 -0.72 0.00 -1.26 -4.99 105.19 100.24 1nr5 n GLY 11 Ca -0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.78 1.26 -1.43 1.61 6.06 -0.71 -5.05 118.95 118.91 1nr5 s ARG 12 Ca 0.00 -0.49 -0.09 0.00 -2.50 0.00 0.00 55.73 52.66 1nr5 s ARG 12 Cb 0.00 -1.17 0.05 0.00 0.06 0.00 0.00 34.95 33.89 1nr5 s ARG 12 CO 0.00 0.25 2.46 -1.91 -2.50 0.00 0.00 175.30 173.59 1nr5 n GLU 13 N 2.96 3.93 0.02 5.12 2.13 -1.26 -0.29 120.64 133.24 1nr5 n GLU 13 Ca -0.16 -2.97 0.11 0.00 0.66 0.00 0.00 57.16 54.80 1nr5 n GLU 13 Cb 0.54 -2.82 0.09 0.00 0.27 0.00 0.00 31.44 29.53 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 3.24 0.63 -4.62 4.31 3.41 -1.24 -4.85 113.62 114.50 1nr5 n SER 14 Ca 0.62 -0.24 -0.39 0.00 -0.26 0.00 0.00 58.87 58.61 1nr5 n SER 14 Cb 0.28 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 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 -3.12 5.19 -0.17 -1.33 1.01 -1.07 -0.53 121.20 121.18 1nr5 s ILE 15 Ca 0.06 0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1nr5 s ILE 15 Cb 0.15 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1nr5 s ILE 15 CO 0.77 0.19 -0.16 -0.63 0.00 0.00 0.00 174.94 175.10 1nr5 s ILE 16 N 1.86 1.78 -0.05 2.92 1.01 -0.42 -1.49 121.20 126.80 1nr5 s ILE 16 Ca 0.16 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1nr5 s ILE 16 Cb -0.15 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 1nr5 s ILE 16 CO 0.09 0.47 -0.18 0.00 0.00 0.00 0.00 174.94 175.32 1nr5 s ALA 17 N 1.40 1.64 -0.08 9.38 0.00 0.36 -0.63 121.76 133.84 1nr5 s ALA 17 Ca 0.04 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 1nr5 s ALA 17 Cb -0.13 -0.56 0.12 0.00 0.00 0.00 0.00 23.12 22.55 1nr5 s ALA 17 CO -0.11 0.28 1.38 0.34 0.00 0.00 0.00 175.76 177.65 1nr5 s ASP 18 N 0.09 -0.01 -0.18 0.00 2.15 -0.65 -0.76 116.67 117.32 1nr5 s ASP 18 Ca -0.06 -0.05 -0.18 0.00 0.43 0.00 0.00 52.55 52.69 1nr5 s ASP 18 Cb -0.13 0.04 -0.04 0.00 -0.30 0.00 0.00 42.92 42.50 1nr5 s ASP 18 CO 0.03 -0.08 0.50 -0.36 -0.17 0.00 0.00 175.17 175.09 1nr5 s PHE 19 N -2.06 3.41 0.00 -5.34 0.08 -1.26 -2.71 117.98 110.11 1nr5 s PHE 19 Ca 0.23 0.80 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1nr5 s PHE 19 Cb 0.04 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1nr5 s PHE 19 CO -0.04 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.47 1nr5 n GLY 20 N 3.70 0.74 0.36 4.36 0.00 -1.26 -4.98 105.19 108.12 1nr5 n GLY 20 Ca -0.06 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.86 -0.42 0.99 3.38 -1.92 -2.70 115.31 115.50 1nr5 h LEU 21 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1nr5 h LEU 21 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1nr5 h LEU 21 CO 0.00 0.54 0.13 -0.25 0.09 0.00 0.00 178.44 178.95 1nr5 h TRP 22 N 0.97 0.68 -0.20 1.13 2.91 -1.93 -0.23 115.95 119.28 1nr5 h TRP 22 Ca 0.39 -0.07 -0.04 0.00 1.13 0.00 0.00 58.89 60.30 1nr5 h TRP 22 Cb 0.27 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1nr5 h TRP 22 CO -0.00 0.62 -0.05 0.00 -1.03 0.00 0.00 178.44 177.98 1nr5 h ARG 23 N 0.54 0.38 -1.46 2.65 3.08 -1.89 -3.40 114.38 114.28 1nr5 h ARG 23 Ca 0.14 -0.15 -0.43 0.00 0.07 0.00 0.00 59.98 59.61 1nr5 h ARG 23 Cb 0.26 -0.02 -0.40 0.00 0.08 0.00 0.00 29.97 29.89 1nr5 h ARG 23 CO -0.00 0.64 -1.13 0.27 -1.07 0.00 0.00 179.97 178.67 1nr5 n ASN 24 N -4.63 1.66 0.03 7.04 2.04 -1.06 -4.91 115.26 115.44 1nr5 n ASN 24 Ca -0.05 -2.95 0.00 0.00 -0.44 0.00 0.00 54.58 51.14 1nr5 n ASN 24 Cb 0.28 -0.56 0.00 0.00 -2.53 0.00 0.00 39.78 36.97 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 0.01 -2.71 0.01 -2.53 4.19 -0.48 -4.94 117.16 110.71 1nr5 n TYR 25 Ca 0.18 0.22 -0.10 0.00 3.31 0.00 0.00 57.90 61.52 1nr5 n TYR 25 Cb 0.73 0.96 -0.03 0.00 0.49 0.00 0.00 39.34 41.48 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 0.64 0.02 2.97 2.07 -1.32 -1.17 116.25 119.46 1nr5 h VAL 26 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1nr5 h VAL 26 Cb 0.00 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 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 0.88 -0.38 -0.84 1.67 0.00 -1.85 0.26 119.26 119.01 1nr5 h ALA 27 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1nr5 h ALA 27 Cb 0.29 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1nr5 h ALA 27 CO -0.21 -0.77 0.52 -0.22 0.00 0.00 0.00 179.25 178.56 1nr5 h LYS 28 N -0.42 0.91 -0.33 0.00 3.64 -1.84 -2.11 116.57 116.42 1nr5 h LYS 28 Ca 0.06 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1nr5 h LYS 28 Cb 0.49 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1nr5 h LYS 28 CO -0.21 0.60 -0.33 0.22 -2.27 0.00 0.00 179.45 177.46 1nr5 h ASP 29 N 0.94 0.76 -0.08 4.20 3.58 -0.77 -2.97 116.42 122.08 1nr5 h ASP 29 Ca 0.37 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1nr5 h ASP 29 Cb 0.17 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 1nr5 h ASP 29 CO -0.17 1.03 0.02 -0.07 -2.88 0.00 0.00 179.24 177.16 1nr5 h LEU 30 N 0.62 0.11 -2.18 2.28 3.38 -0.53 0.14 115.31 119.12 1nr5 h LEU 30 Ca 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1nr5 h LEU 30 Cb 0.85 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1nr5 h LEU 30 CO 0.07 0.30 -0.02 0.40 0.09 0.00 0.00 178.44 179.29 1nr5 h ILE 31 N -0.08 0.79 0.02 1.22 1.08 -1.41 -0.57 117.51 118.57 1nr5 h ILE 31 Ca 0.02 -0.06 -0.39 0.00 -0.39 0.00 0.00 64.86 64.05 1nr5 h ILE 31 Cb 0.23 1.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1nr5 h ILE 31 CO -0.00 0.01 -2.38 -1.54 -0.69 0.00 0.00 178.15 173.55 1nr5 n SER 32 N -4.20 2.01 0.06 1.72 3.41 -1.10 -4.09 113.62 111.43 1nr5 n SER 32 Ca -0.03 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.65 1nr5 n SER 32 Cb 0.10 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.54 1nr5 n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nr5 n ASP 33 N -3.36 0.65 -2.83 4.04 9.92 0.46 -4.32 116.55 121.12 1nr5 n ASP 33 Ca -0.44 0.11 -0.21 0.00 -0.53 0.00 0.00 54.79 53.73 1nr5 n ASP 33 Cb 0.99 0.71 -0.01 0.00 -0.64 0.00 0.00 41.12 42.17 1nr5 n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nr5 n SER 35 N -0.13 2.37 -3.63 0.00 2.88 -1.23 -4.66 113.62 109.21 1nr5 n SER 35 Ca 0.26 1.09 -0.07 0.00 -1.33 0.00 0.00 58.87 58.83 1nr5 n SER 35 Cb 0.62 -1.29 -0.02 0.00 -0.75 0.00 0.00 64.21 62.77 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 0.99 -0.31 0.09 -3.46 0.15 -1.26 -5.03 113.70 104.87 1nr5 s SER 36 Ca 0.83 -0.24 0.20 0.00 0.70 0.00 0.00 55.95 57.45 1nr5 s SER 36 Cb -0.83 0.50 -0.12 0.00 -1.71 0.00 0.00 66.02 63.86 1nr5 s SER 36 CO 0.44 -0.88 0.82 0.35 1.20 0.00 0.00 173.24 175.17 1nr5 n THR 37 N -0.38 0.75 -3.88 6.45 -2.24 -1.26 -4.68 114.28 109.04 1nr5 n THR 37 Ca -0.08 -0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 1nr5 n THR 37 Cb 0.61 -0.42 -0.17 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.19 1.04 -0.20 4.28 2.01 -1.26 -0.49 115.64 117.84 1nr5 s THR 38 Ca -0.03 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1nr5 s THR 38 Cb 0.10 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 1nr5 s THR 38 CO 0.82 0.18 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.58 1nr5 s TYR 39 N 1.67 2.98 -0.23 4.92 1.51 0.38 -1.17 117.35 127.40 1nr5 s TYR 39 Ca 0.02 -0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 55.38 1nr5 s TYR 39 Cb -0.15 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1nr5 s TYR 39 CO -0.08 -0.34 -0.04 0.08 -1.11 0.00 0.00 175.55 174.06 1nr5 s VAL 40 N 1.06 3.37 -0.22 0.71 1.01 -0.47 0.13 120.40 125.98 1nr5 s VAL 40 Ca 0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1nr5 s VAL 40 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1nr5 s VAL 40 CO 0.00 0.39 0.11 -0.22 0.00 0.00 0.00 175.10 175.39 1nr5 s LEU 41 N 1.47 3.88 -0.10 3.92 0.20 0.14 0.34 118.68 128.53 1nr5 s LEU 41 Ca 0.05 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.94 1nr5 s LEU 41 Cb -0.14 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.58 1nr5 s LEU 41 CO -0.03 0.09 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.25 1nr5 s VAL 42 N 0.92 2.68 0.27 1.68 1.01 -0.19 -0.34 120.40 126.43 1nr5 s VAL 42 Ca 0.06 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1nr5 s VAL 42 Cb -0.13 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1nr5 s VAL 42 CO 0.03 0.55 0.68 0.28 0.00 0.00 0.00 175.10 176.64 1nr5 s THR 43 N 0.12 0.00 0.44 3.92 -1.32 -0.79 -1.45 115.64 116.55 1nr5 s THR 43 Ca -0.09 -1.06 0.07 0.00 -1.21 0.00 0.00 61.69 59.41 1nr5 s THR 43 Cb -0.15 -2.02 0.01 0.00 -1.51 0.00 0.00 72.50 68.83 1nr5 s THR 43 CO 0.05 -0.00 0.60 1.51 -2.21 0.00 0.00 174.62 174.57 1nr5 s ASP 44 N -2.93 5.61 0.33 8.08 1.47 -1.26 -0.76 116.67 127.20 1nr5 s ASP 44 Ca 0.13 -0.35 0.03 0.00 1.18 0.00 0.00 52.55 53.53 1nr5 s ASP 44 Cb -0.05 -0.71 0.61 0.00 -0.34 0.00 0.00 42.92 42.43 1nr5 s ASP 44 CO 0.07 -0.81 1.95 0.71 0.68 0.00 0.00 175.17 177.76 1nr5 h THR 45 N 0.56 1.08 0.74 2.11 1.35 -1.26 0.11 112.91 117.59 1nr5 h THR 45 Ca -0.40 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 1nr5 h THR 45 Cb 1.28 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1nr5 h THR 45 CO 0.46 0.17 -0.38 0.78 -0.25 0.00 0.00 175.52 176.30 1nr5 h ASN 46 N 0.92 -0.92 -0.17 5.36 2.35 -1.95 -3.16 115.58 118.01 1nr5 h ASN 46 Ca 0.33 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.08 1nr5 h ASN 46 Cb 0.15 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1nr5 h ASN 46 CO -0.11 -0.63 -0.06 0.40 -1.65 0.00 0.00 177.43 175.38 1nr5 h ILE 47 N -1.03 1.30 -0.81 2.81 2.04 -1.94 -3.32 117.51 116.56 1nr5 h ILE 47 Ca -0.10 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 64.76 1nr5 h ILE 47 Cb 0.80 1.65 -0.10 0.00 -0.74 0.00 0.00 36.82 38.43 1nr5 h ILE 47 CO 0.15 0.32 -0.48 0.61 0.00 0.00 0.00 178.15 178.75 1nr5 n GLY 48 N -0.07 -2.27 0.33 5.37 0.00 0.36 -0.42 105.19 108.50 1nr5 n GLY 48 Ca -0.05 0.99 0.13 0.00 0.00 0.00 0.00 46.02 47.09 1nr5 n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nr5 h SER 49 N 0.00 0.15 0.27 1.61 4.64 -1.64 -1.56 113.55 117.02 1nr5 h SER 49 Ca 0.13 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.11 1nr5 h SER 49 Cb 0.33 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1nr5 h SER 49 CO -0.76 0.09 -1.77 0.40 -0.87 0.00 0.00 176.83 173.92 1nr5 h ILE 50 N 0.17 0.88 0.00 0.95 2.04 -0.85 -3.44 117.51 117.26 1nr5 h ILE 50 Ca 0.17 -2.55 -0.01 0.00 1.00 0.00 0.00 64.86 63.47 1nr5 h ILE 50 Cb 0.47 2.65 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1nr5 h ILE 50 CO -0.03 0.82 -1.32 -1.22 0.00 0.00 0.00 178.15 176.41 1nr5 n TYR 51 N -3.46 0.00 -0.09 1.37 4.01 0.20 -4.70 117.16 114.49 1nr5 n TYR 51 Ca -0.24 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.41 1nr5 n TYR 51 Cb 1.06 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.90 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 1.10 -0.83 -0.72 2.02 -1.46 -3.28 112.91 109.74 1nr5 h THR 52 Ca -0.02 -0.23 0.08 0.00 0.77 0.00 0.00 66.41 67.00 1nr5 h THR 52 Cb 0.43 0.73 -0.10 0.00 -1.74 0.00 0.00 68.15 67.46 1nr5 h THR 52 CO 0.00 0.10 -0.54 -0.65 0.37 0.00 0.00 175.52 174.80 1nr5 h PRO 53 N 0.38 -0.07 0.00 6.66 0.11 -1.84 0.82 132.00 138.06 1nr5 h PRO 53 Ca 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1nr5 h PRO 53 Cb 0.01 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1nr5 h PRO 53 CO -0.02 -0.05 -0.07 0.66 -0.21 0.00 0.00 178.00 178.31 1nr5 h SER 54 N -0.07 0.00 -0.01 -2.05 4.64 -1.88 -2.62 113.55 111.56 1nr5 h SER 54 Ca 0.13 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.30 1nr5 h SER 54 Cb 0.41 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1nr5 h SER 54 CO -0.81 0.07 -0.60 0.15 -0.87 0.00 0.00 176.83 174.78 1nr5 h PHE 55 N 0.00 0.61 -0.80 4.77 3.57 -0.98 -1.29 116.94 122.82 1nr5 h PHE 55 Ca -0.00 -0.33 0.12 0.00 3.53 0.00 0.00 57.97 61.29 1nr5 h PHE 55 Cb 0.27 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.85 1nr5 h PHE 55 CO 0.00 1.14 0.41 0.93 -2.23 0.00 0.00 178.31 178.57 1nr5 h GLU 56 N -0.09 0.62 0.94 1.11 5.08 -0.74 0.34 114.58 121.84 1nr5 h GLU 56 Ca -0.07 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1nr5 h GLU 56 Cb 1.30 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1nr5 h GLU 56 CO 0.12 0.41 -0.45 1.49 -1.00 0.00 0.00 179.01 179.58 1nr5 h GLU 57 N 0.64 -1.21 -0.75 2.33 4.57 -1.48 -0.76 114.58 117.92 1nr5 h GLU 57 Ca 0.42 0.08 0.16 0.00 -1.18 0.00 0.00 59.36 58.84 1nr5 h GLU 57 Cb 0.51 0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 29.33 1nr5 h GLU 57 CO -0.32 -0.81 0.51 0.00 -1.18 0.00 0.00 179.01 177.21 1nr5 h ALA 58 N -1.36 2.21 0.56 2.92 0.00 -0.70 -1.69 119.26 121.20 1nr5 h ALA 58 Ca -0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1nr5 h ALA 58 Cb 0.97 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1nr5 h ALA 58 CO 0.21 -0.42 -0.27 0.35 0.00 0.00 0.00 179.25 179.12 1nr5 h PHE 59 N 0.34 -0.70 -0.80 0.00 3.57 -0.06 -2.72 116.94 116.58 1nr5 h PHE 59 Ca 0.37 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 62.03 1nr5 h PHE 59 Cb 0.95 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1nr5 h PHE 59 CO -0.00 -0.38 0.54 -0.09 -2.23 0.00 0.00 178.31 176.15 1nr5 h ARG 60 N -1.11 0.37 -0.71 1.11 2.43 -0.79 0.34 114.38 116.02 1nr5 h ARG 60 Ca -0.08 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1nr5 h ARG 60 Cb 0.63 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1nr5 h ARG 60 CO 0.13 0.25 0.20 -0.22 -1.51 0.00 0.00 179.97 178.81 1nr5 h LYS 61 N 0.38 1.11 0.00 0.20 3.64 -1.27 -1.97 116.57 118.67 1nr5 h LYS 61 Ca 0.40 -0.25 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1nr5 h LYS 61 Cb 1.00 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1nr5 h LYS 61 CO -0.13 0.96 -1.28 0.00 -2.27 0.00 0.00 179.45 176.73 1nr5 h ARG 62 N 1.06 0.00 0.00 1.90 2.47 -0.54 -3.33 114.38 115.94 1nr5 h ARG 62 Ca 0.23 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.85 1nr5 h ARG 62 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1nr5 h ARG 62 CO -0.00 0.38 -0.48 0.00 0.56 0.00 0.00 179.97 180.43 1nr5 h ALA 63 N 1.36 0.84 -0.98 0.04 0.00 -0.39 -3.18 119.26 116.95 1nr5 h ALA 63 Ca -0.14 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.45 1nr5 h ALA 63 Cb 1.62 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1nr5 h ALA 63 CO 0.06 0.60 0.62 0.00 0.00 0.00 0.00 179.25 180.53 1nr5 h ALA 64 N 1.52 1.58 -0.73 0.00 0.00 -1.46 -1.18 119.26 118.99 1nr5 h ALA 64 Ca -0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nr5 h ALA 64 Cb 1.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1nr5 h ALA 64 CO 0.06 0.17 0.48 1.49 0.00 0.00 0.00 179.25 181.45 1nr5 h GLU 65 N 0.94 0.83 -7.02 0.00 4.57 -1.74 -3.43 114.58 108.72 1nr5 h GLU 65 Ca 0.48 -0.05 -0.50 0.00 -1.18 0.00 0.00 59.36 58.12 1nr5 h GLU 65 Cb 0.52 -0.19 0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1nr5 h GLU 65 CO -0.25 0.55 0.20 0.42 -1.18 0.00 0.00 179.01 178.75 1nr5 s ILE 66 N -5.74 4.81 -0.22 2.32 1.09 -0.45 -5.08 121.20 117.92 1nr5 s ILE 66 Ca -0.10 0.51 -0.09 0.00 -1.10 0.00 0.00 60.65 59.86 1nr5 s ILE 66 Cb 0.19 -3.83 0.09 0.00 -1.06 0.00 0.00 42.46 37.85 1nr5 s ILE 66 CO 0.77 -0.83 0.51 0.28 -0.10 0.00 0.00 174.94 175.57 1nr5 s THR 67 N -2.74 -0.48 0.53 2.92 -1.32 -1.26 -3.54 115.64 109.75 1nr5 s THR 67 Ca 0.51 0.09 -0.21 0.00 -1.21 0.00 0.00 61.69 60.87 1nr5 s THR 67 Cb -0.10 -0.77 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1nr5 s THR 67 CO 0.43 0.04 1.22 -2.16 -2.21 0.00 0.00 174.62 171.93 1nr5 s PRO 68 N 2.24 3.33 0.23 7.08 0.04 -1.26 -5.09 135.00 141.56 1nr5 s PRO 68 Ca -0.06 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 1nr5 s PRO 68 Cb -0.10 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1nr5 s PRO 68 CO -0.15 -0.93 1.24 -1.12 0.04 0.00 0.00 177.00 176.08 1nr5 s SER 69 N -1.39 6.99 0.61 6.66 0.01 -1.23 -5.00 113.70 120.34 1nr5 s SER 69 Ca 0.71 2.39 -0.15 0.00 1.31 0.00 0.00 55.95 60.20 1nr5 s SER 69 Cb -0.31 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.27 1nr5 s SER 69 CO 0.36 -0.42 1.06 -2.16 0.41 0.00 0.00 173.24 172.49 1nr5 s PRO 70 N -0.70 3.27 0.12 12.44 0.04 -1.26 -5.05 135.00 143.86 1nr5 s PRO 70 Ca 0.52 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1nr5 s PRO 70 Cb -0.35 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1nr5 s PRO 70 CO 0.41 -0.84 0.16 -0.98 0.04 0.00 0.00 177.00 175.79 1nr5 s ARG 71 N -4.19 3.07 -0.21 4.56 1.70 0.36 -4.99 118.95 119.25 1nr5 s ARG 71 Ca 0.63 -0.71 0.02 0.00 -0.47 0.00 0.00 55.73 55.20 1nr5 s ARG 71 Cb -0.16 -2.78 0.04 0.00 -0.57 0.00 0.00 34.95 31.48 1nr5 s ARG 71 CO 0.39 0.53 -0.15 -1.17 -1.08 0.00 0.00 175.30 173.82 1nr5 s LEU 72 N -2.85 2.68 -0.17 -1.89 2.96 -1.26 -0.47 118.68 117.69 1nr5 s LEU 72 Ca 0.32 -0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1nr5 s LEU 72 Cb -0.11 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1nr5 s LEU 72 CO 0.25 -0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.41 1nr5 s LEU 73 N 1.23 3.32 -0.09 -0.68 1.43 0.12 -4.99 118.68 119.01 1nr5 s LEU 73 Ca -0.01 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1nr5 s LEU 73 Cb -0.16 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1nr5 s LEU 73 CO -0.09 0.14 -0.02 -0.63 0.23 0.00 0.00 176.35 175.98 1nr5 s ILE 74 N 0.52 4.14 -0.09 -0.59 1.01 -1.26 0.27 121.20 125.21 1nr5 s ILE 74 Ca -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1nr5 s ILE 74 Cb -0.14 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1nr5 s ILE 74 CO 0.02 0.59 -0.09 -0.47 0.00 0.00 0.00 174.94 175.00 1nr5 s TYR 75 N -0.70 1.39 -0.23 3.97 6.14 0.54 -4.94 117.35 123.53 1nr5 s TYR 75 Ca 0.11 -0.61 -0.06 0.00 0.64 0.00 0.00 57.07 57.15 1nr5 s TYR 75 Cb -0.12 -1.12 -0.02 0.00 0.42 0.00 0.00 41.96 41.12 1nr5 s TYR 75 CO 0.02 -0.41 0.02 -0.80 0.64 0.00 0.00 175.55 175.02 1nr5 s ASN 76 N 1.32 4.81 0.30 4.32 -0.87 -1.26 -1.89 114.94 121.68 1nr5 s ASN 76 Ca -0.03 -0.25 0.08 0.00 -1.57 0.00 0.00 52.86 51.09 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 0.00 0.13 -0.13 -2.57 0.00 0.00 177.10 174.49 1nr5 s ARG 77 N 1.38 2.49 0.14 -0.60 1.81 0.06 -4.81 118.95 119.42 1nr5 s ARG 77 Ca 0.05 -1.39 -0.31 0.00 -1.72 0.00 0.00 55.73 52.36 1nr5 s ARG 77 Cb -0.15 -2.27 -0.08 0.00 -0.45 0.00 0.00 34.95 32.00 1nr5 s ARG 77 CO 0.01 0.23 1.31 -2.14 -0.68 0.00 0.00 175.30 174.03 1nr5 s PRO 78 N -3.81 4.38 0.65 3.54 0.02 -1.26 -0.75 135.00 137.77 1nr5 s PRO 78 Ca 0.35 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.22 1nr5 s PRO 78 Cb -0.05 -3.24 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 1nr5 s PRO 78 CO 0.23 -0.30 1.12 -1.25 -0.33 0.00 0.00 177.00 176.47 1nr5 s PRO 79 N 0.52 2.78 0.00 5.54 0.04 -1.26 -4.53 135.00 138.09 1nr5 s PRO 79 Ca 0.60 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1nr5 s PRO 79 Cb -0.35 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1nr5 s PRO 79 CO 0.34 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1nr5 n GLY 80 N -0.35 2.51 0.35 0.56 0.00 -1.26 -4.69 105.19 102.31 1nr5 n GLY 80 Ca 0.11 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.05 1.61 4.57 -1.94 -0.69 114.58 118.08 1nr5 h GLU 81 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 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 -0.21 -0.39 -1.18 0.00 0.00 179.01 177.23 1nr5 h VAL 82 N 0.00 1.18 0.00 0.32 -1.51 -1.92 -2.56 116.25 111.76 1nr5 h VAL 82 Ca 0.04 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.67 1nr5 h VAL 82 Cb 1.13 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1nr5 h VAL 82 CO -0.00 0.24 -0.08 0.28 -1.23 0.00 0.00 177.57 176.79 1nr5 h SER 83 N 0.08 0.00 0.00 4.19 0.02 -1.35 -3.35 113.55 113.13 1nr5 h SER 83 Ca 0.01 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.27 1nr5 h SER 83 Cb 0.42 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1nr5 h SER 83 CO 0.03 0.08 3.13 0.29 -1.14 0.00 0.00 176.83 179.21 1nr5 n LYS 84 N -3.17 2.80 -4.20 3.45 5.02 -0.97 -4.58 118.16 116.51 1nr5 n LYS 84 Ca 0.01 -2.47 -0.12 0.00 -2.02 0.00 0.00 58.31 53.71 1nr5 n LYS 84 Cb 0.40 -3.19 -0.10 0.00 -0.02 0.00 0.00 35.03 32.12 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 3.27 0.83 0.14 4.39 1.04 -1.26 -1.11 113.70 121.00 1nr5 s SER 85 Ca 0.50 -1.19 -0.18 0.00 0.48 0.00 0.00 55.95 55.57 1nr5 s SER 85 Cb 0.14 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1nr5 s SER 85 CO -0.07 -0.64 1.73 0.03 0.98 0.00 0.00 173.24 175.28 1nr5 h ARG 86 N 2.77 0.14 -0.23 4.02 3.08 -1.89 -2.34 114.38 119.93 1nr5 h ARG 86 Ca -0.36 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.74 1nr5 h ARG 86 Cb 1.20 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 1nr5 h ARG 86 CO 0.61 0.09 -0.33 0.37 -1.07 0.00 0.00 179.97 179.64 1nr5 h GLN 87 N 0.14 -0.34 -0.20 0.04 5.75 -1.97 -1.06 115.11 117.48 1nr5 h GLN 87 Ca 0.13 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1nr5 h GLN 87 Cb 0.14 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1nr5 h GLN 87 CO -0.18 -0.22 0.08 1.15 -2.65 0.00 0.00 178.83 177.01 1nr5 h THR 88 N -0.35 1.08 -0.07 2.39 2.02 -1.77 -1.02 112.91 115.20 1nr5 h THR 88 Ca 0.12 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1nr5 h THR 88 Cb 0.55 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1nr5 h THR 88 CO -0.43 0.10 -0.09 0.50 0.37 0.00 0.00 175.52 175.97 1nr5 h LYS 89 N 0.28 0.18 -0.72 6.66 3.64 -0.77 -2.52 116.57 123.32 1nr5 h LYS 89 Ca 0.07 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1nr5 h LYS 89 Cb 0.06 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1nr5 h LYS 89 CO -0.01 0.65 0.48 0.00 -2.27 0.00 0.00 179.45 178.29 1nr5 h ALA 90 N 0.53 1.50 -0.39 5.00 0.00 -0.85 -2.26 119.26 122.79 1nr5 h ALA 90 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nr5 h ALA 90 Cb 0.62 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1nr5 h ALA 90 CO 0.02 0.45 0.19 -0.44 0.00 0.00 0.00 179.25 179.48 1nr5 h ASP 91 N 0.96 0.50 -0.54 0.00 3.32 -1.10 -0.34 116.42 119.21 1nr5 h ASP 91 Ca 0.27 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1nr5 h ASP 91 Cb -0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1nr5 h ASP 91 CO -0.06 0.48 0.07 0.40 -1.72 0.00 0.00 179.24 178.41 1nr5 h ILE 92 N 0.49 1.25 0.59 0.35 2.04 -1.14 -1.76 117.51 119.33 1nr5 h ILE 92 Ca 0.13 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 1nr5 h ILE 92 Cb 0.11 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1nr5 h ILE 92 CO -0.02 0.36 -0.29 -0.33 0.00 0.00 0.00 178.15 177.88 1nr5 h GLU 93 N 0.90 -0.77 -0.61 2.37 5.08 -1.17 -1.02 114.58 119.36 1nr5 h GLU 93 Ca 0.18 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 1nr5 h GLU 93 Cb 0.42 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1nr5 h GLU 93 CO 0.01 -0.46 0.41 -0.44 -1.00 0.00 0.00 179.01 177.53 1nr5 h ASP 94 N -1.05 0.42 -0.27 1.42 3.32 -1.08 0.16 116.42 119.33 1nr5 h ASP 94 Ca -0.08 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1nr5 h ASP 94 Cb 0.67 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1nr5 h ASP 94 CO 0.13 0.26 0.02 -0.25 -1.72 0.00 0.00 179.24 177.68 1nr5 h TRP 95 N 0.47 0.50 -0.67 4.55 7.01 -1.19 -1.92 115.95 124.71 1nr5 h TRP 95 Ca 0.28 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 61.16 1nr5 h TRP 95 Cb 0.48 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1nr5 h TRP 95 CO -0.00 0.60 0.26 0.52 -2.79 0.00 0.00 178.44 177.02 1nr5 h MET 96 N 0.26 1.00 0.00 2.65 2.86 0.33 -2.31 114.93 119.72 1nr5 h MET 96 Ca 0.08 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1nr5 h MET 96 Cb 0.38 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1nr5 h MET 96 CO 0.01 0.84 0.00 -0.07 1.06 0.00 0.00 176.91 178.75 1nr5 h LEU 97 N 0.95 0.00 -0.14 1.22 3.38 -0.73 -2.38 115.31 117.60 1nr5 h LEU 97 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1nr5 h LEU 97 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1nr5 h LEU 97 CO -0.02 0.00 -0.46 -1.20 0.09 0.00 0.00 178.44 176.86 1nr5 n SER 98 N -2.69 0.68 -4.35 -0.43 7.64 -0.73 -4.66 113.62 109.08 1nr5 n SER 98 Ca 0.01 -0.47 -0.29 0.00 1.01 0.00 0.00 58.87 59.14 1nr5 n SER 98 Cb 0.26 0.25 0.23 0.00 -1.01 0.00 0.00 64.21 63.95 1nr5 n SER 98 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nr5 s GLN 99 N -2.86 -0.86 -0.26 1.43 -1.52 -1.17 -4.90 119.66 109.52 1nr5 s GLN 99 Ca 0.15 0.52 -0.03 0.00 -1.95 0.00 0.00 55.36 54.05 1nr5 s GLN 99 Cb 0.18 -1.59 0.09 0.00 -0.22 0.00 0.00 33.01 31.47 1nr5 s GLN 99 CO 0.66 -3.60 0.09 1.21 -0.25 0.00 0.00 175.29 173.40 1nr5 s ASN 100 N -3.05 3.45 0.91 5.90 3.04 -1.26 -2.35 114.94 121.58 1nr5 s ASN 100 Ca 0.68 -1.23 -0.12 0.00 0.04 0.00 0.00 52.86 52.23 1nr5 s ASN 100 Cb -0.20 -0.59 0.13 0.00 -1.54 0.00 0.00 41.25 39.06 1nr5 s ASN 100 CO 0.61 -0.39 1.10 -2.16 -3.04 0.00 0.00 177.10 173.22 1nr5 s PRO 101 N 1.87 1.18 0.86 0.43 0.04 -1.26 -5.12 135.00 133.00 1nr5 s PRO 101 Ca 0.06 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.63 1nr5 s PRO 101 Cb -0.17 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1nr5 s PRO 101 CO -0.23 -2.25 1.12 -2.14 0.04 0.00 0.00 177.00 173.55 1nr5 s PRO 102 N -5.03 1.52 0.01 0.56 0.02 -0.99 -4.94 135.00 126.15 1nr5 s PRO 102 Ca 0.63 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 1nr5 s PRO 102 Cb -0.17 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1nr5 s PRO 102 CO 0.56 -2.23 1.14 0.00 -0.33 0.00 0.00 177.00 176.14 1nr5 n GLY 104 N 3.17 2.95 0.00 0.00 0.00 -1.26 -4.81 105.19 105.25 1nr5 n GLY 104 Ca 0.09 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 0.00 0.00 1.61 1.74 -1.26 -2.79 116.66 115.96 1nr5 n ARG 105 Ca 0.00 0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.30 1nr5 n ARG 105 Cb 0.00 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.51 1.06 -4.68 0.55 5.75 -1.26 -4.72 116.55 111.74 1nr5 n ASP 106 Ca 0.06 -0.96 -0.44 0.00 -0.01 0.00 0.00 54.79 53.44 1nr5 n ASP 106 Cb 0.28 0.10 -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 -0.55 1.33 -3.91 2.12 -1.04 -1.12 -4.62 114.28 106.49 1nr5 n THR 107 Ca 0.13 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 1nr5 n THR 107 Cb 0.34 -1.52 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 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 -0.42 3.11 -0.02 12.58 1.01 -0.32 -3.55 120.40 132.79 1nr5 s VAL 108 Ca 0.63 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1nr5 s VAL 108 Cb -0.61 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1nr5 s VAL 108 CO 0.54 0.09 0.43 -0.69 0.00 0.00 0.00 175.10 175.47 1nr5 s VAL 109 N 1.34 5.04 -0.20 2.92 1.01 -0.46 -1.37 120.40 128.67 1nr5 s VAL 109 Ca -0.01 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 1nr5 s VAL 109 Cb -0.18 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1nr5 s VAL 109 CO -0.02 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 174.88 1nr5 s ILE 110 N -0.70 3.02 -0.46 2.22 1.01 0.15 -0.95 121.20 125.49 1nr5 s ILE 110 Ca 0.24 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1nr5 s ILE 110 Cb -0.17 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.02 1nr5 s ILE 110 CO 0.13 0.46 0.43 0.00 0.00 0.00 0.00 174.94 175.96 1nr5 s ALA 111 N 1.31 3.50 -0.52 9.38 0.00 -0.56 -1.02 121.76 133.86 1nr5 s ALA 111 Ca 0.04 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 49.98 1nr5 s ALA 111 Cb -0.14 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 20.02 1nr5 s ALA 111 CO -0.05 -1.73 0.39 -1.17 0.00 0.00 0.00 175.76 173.21 1nr5 s LEU 112 N 1.87 5.74 0.00 0.00 2.96 -0.53 -0.42 118.68 128.30 1nr5 s LEU 112 Ca 0.07 -2.09 0.00 0.00 -0.22 0.00 0.00 54.13 51.89 1nr5 s LEU 112 Cb -0.22 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1nr5 s LEU 112 CO 0.09 -0.65 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 1nr5 n GLY 113 N 4.66 -1.10 0.00 7.98 0.00 -1.12 -4.29 105.19 111.32 1nr5 n GLY 113 Ca -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 0.13 0.26 -0.02 0.00 -1.26 -2.03 105.19 102.27 1nr5 n GLY 114 Ca 0.00 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 0.55 -0.02 0.00 -1.95 0.01 103.07 101.66 1nr5 h GLY 115 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nr5 h GLY 115 CO 0.00 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.43 1nr5 h VAL 116 N 0.00 1.21 -0.46 4.60 2.07 -1.95 -0.61 116.25 121.11 1nr5 h VAL 116 Ca -0.00 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.41 1nr5 h VAL 116 Cb 0.33 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1nr5 h VAL 116 CO 0.01 0.25 -0.16 0.40 0.02 0.00 0.00 177.57 178.09 1nr5 h ILE 117 N -0.54 1.27 -0.22 4.57 1.08 -1.86 -2.39 117.51 119.42 1nr5 h ILE 117 Ca -0.01 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.17 1nr5 h ILE 117 Cb 0.47 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1nr5 h ILE 117 CO 0.01 0.44 0.08 1.23 -0.69 0.00 0.00 178.15 179.23 1nr5 h GLY 118 N 0.95 0.36 0.99 5.37 0.00 -1.00 -0.37 103.07 109.37 1nr5 h GLY 118 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1nr5 h GLY 118 CO 0.05 0.19 0.17 -0.55 0.00 0.00 0.00 176.54 176.40 1nr5 h ASP 119 N 0.20 0.81 0.01 0.19 5.19 -1.08 -0.24 116.42 121.50 1nr5 h ASP 119 Ca 0.07 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1nr5 h ASP 119 Cb 0.20 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1nr5 h ASP 119 CO -0.00 0.80 -0.01 0.25 -3.12 0.00 0.00 179.24 177.16 1nr5 h LEU 120 N 0.77 -0.01 -0.71 1.55 5.85 -1.40 -2.38 115.31 118.97 1nr5 h LEU 120 Ca 0.18 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1nr5 h LEU 120 Cb 0.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1nr5 h LEU 120 CO -0.00 0.46 0.33 0.74 -0.34 0.00 0.00 178.44 179.62 1nr5 h THR 121 N -0.50 1.24 -0.71 1.05 2.02 -1.07 -1.14 112.91 113.80 1nr5 h THR 121 Ca -0.00 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1nr5 h THR 121 Cb 0.48 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1nr5 h THR 121 CO 0.00 0.29 0.36 1.23 0.37 0.00 0.00 175.52 177.77 1nr5 h GLY 122 N 1.01 1.07 1.21 2.16 0.00 -1.08 -1.04 103.07 106.39 1nr5 h GLY 122 Ca 0.24 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1nr5 h GLY 122 CO -0.03 0.49 -0.19 -2.75 0.00 0.00 0.00 176.54 174.06 1nr5 h PHE 123 N 0.98 1.04 0.12 5.60 3.57 -1.11 -1.00 116.94 126.14 1nr5 h PHE 123 Ca 0.25 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1nr5 h PHE 123 Cb 0.08 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1nr5 h PHE 123 CO 0.00 1.02 -0.06 0.28 -2.23 0.00 0.00 178.31 177.32 1nr5 h VAL 124 N 0.80 0.91 -1.00 1.41 2.07 -0.92 -2.72 116.25 116.80 1nr5 h VAL 124 Ca 0.11 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1nr5 h VAL 124 Cb 0.74 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1nr5 h VAL 124 CO 0.06 0.03 0.63 0.00 0.02 0.00 0.00 177.57 178.31 1nr5 h ALA 125 N 0.65 1.46 0.00 1.67 0.00 -1.04 -1.23 119.26 120.77 1nr5 h ALA 125 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nr5 h ALA 125 Cb 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nr5 h ALA 125 CO 0.03 0.29 -0.13 0.66 0.00 0.00 0.00 179.25 180.10 1nr5 h SER 126 N 1.04 0.00 -0.01 0.00 4.64 -0.86 -1.23 113.55 117.14 1nr5 h SER 126 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1nr5 h SER 126 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nr5 h SER 126 CO -0.24 0.13 -0.08 0.35 -0.87 0.00 0.00 176.83 176.13 1nr5 n THR 127 N -4.08 0.00 -2.00 2.95 -2.24 -0.92 -3.20 114.28 104.78 1nr5 n THR 127 Ca -0.02 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1nr5 n THR 127 Cb 0.21 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.86 1.80 -1.42 4.78 5.04 -0.51 -1.95 117.35 124.23 1nr5 s TYR 128 Ca 0.07 0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 55.27 1nr5 s TYR 128 Cb 0.06 -4.12 0.03 0.00 0.35 0.00 0.00 41.96 38.28 1nr5 s TYR 128 CO 0.13 -2.91 0.53 -1.33 -1.34 0.00 0.00 175.55 170.63 1nr5 n MET 129 N 8.47 -4.12 -1.11 4.97 2.81 -1.26 -0.90 117.12 125.98 1nr5 n MET 129 Ca 0.23 0.71 -0.04 0.00 -1.81 0.00 0.00 57.70 56.79 1nr5 n MET 129 Cb 0.47 -5.49 -0.02 0.00 -0.71 0.00 0.00 33.22 27.47 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 -3.85 -0.54 0.00 0.03 1.74 -0.82 -4.89 116.66 108.34 1nr5 n ARG 130 Ca -0.07 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1nr5 n ARG 130 Cb 0.59 -4.12 0.00 0.00 -1.02 0.00 0.00 32.46 27.91 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 -1.97 3.58 3.22 -0.13 0.00 -0.08 -4.77 105.19 105.04 1nr5 n GLY 131 Ca -0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 0.73 0.44 1.61 -7.23 -0.47 -4.90 120.40 110.58 1nr5 s VAL 132 Ca 0.00 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 1nr5 s VAL 132 Cb 0.00 -1.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 1nr5 s VAL 132 CO 0.00 -0.62 1.12 -0.13 -0.31 0.00 0.00 175.10 175.16 1nr5 s ARG 133 N -3.87 3.92 0.06 4.82 0.52 -1.23 -4.60 118.95 118.56 1nr5 s ARG 133 Ca 0.20 1.67 -0.09 0.00 -0.52 0.00 0.00 55.73 56.98 1nr5 s ARG 133 Cb 0.05 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1nr5 s ARG 133 CO 0.01 -0.39 0.20 1.52 0.02 0.00 0.00 175.30 176.66 1nr5 s TYR 134 N -1.60 0.08 0.16 -0.53 1.13 -1.26 -1.36 117.35 113.98 1nr5 s TYR 134 Ca 0.61 -0.38 0.08 0.00 -1.41 0.00 0.00 57.07 55.98 1nr5 s TYR 134 Cb -0.26 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 1nr5 s TYR 134 CO 0.32 -0.47 -0.18 0.14 -2.51 0.00 0.00 175.55 172.84 1nr5 s VAL 135 N -3.03 1.79 -0.12 -3.49 -7.23 -0.13 0.11 120.40 108.29 1nr5 s VAL 135 Ca -0.01 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1nr5 s VAL 135 Cb 0.01 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 1nr5 s VAL 135 CO -0.06 -0.32 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.26 1nr5 s GLN 136 N -2.77 3.35 -0.57 4.82 -1.52 -0.24 -1.50 119.66 121.23 1nr5 s GLN 136 Ca 0.15 -0.53 0.05 0.00 -1.95 0.00 0.00 55.36 53.09 1nr5 s GLN 136 Cb -0.06 -2.80 0.19 0.00 -0.22 0.00 0.00 33.01 30.12 1nr5 s GLN 136 CO 0.06 0.40 0.48 0.28 -0.25 0.00 0.00 175.29 176.26 1nr5 n VAL 137 N 3.05 0.52 -1.70 1.09 0.31 0.44 -0.79 118.33 121.25 1nr5 n VAL 137 Ca -0.18 -4.34 -0.44 0.00 -0.01 0.00 0.00 64.34 59.38 1nr5 n VAL 137 Cb 0.53 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1nr5 n VAL 137 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1nr5 n PRO 138 N 2.05 2.51 -0.00 5.55 -0.04 -1.24 -2.77 135.00 141.05 1nr5 n PRO 138 Ca 0.25 0.90 0.05 0.00 -0.04 0.00 0.00 63.50 64.66 1nr5 n PRO 138 Cb 0.42 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 1nr5 n PRO 138 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nr5 n THR 139 N 3.68 0.00 -4.11 0.52 -2.24 -0.86 -4.57 114.28 106.69 1nr5 n THR 139 Ca 0.16 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1nr5 n THR 139 Cb 0.32 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.08 4.02 0.19 4.28 -4.23 -1.26 -4.43 115.64 112.12 1nr5 s THR 140 Ca 0.02 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 58.90 1nr5 s THR 140 Cb 0.07 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1nr5 s THR 140 CO 0.39 -0.32 1.77 0.25 -0.54 0.00 0.00 174.62 176.18 1nr5 h LEU 141 N 1.55 0.92 -1.20 4.79 5.85 -1.92 -1.94 115.31 123.37 1nr5 h LEU 141 Ca -0.47 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1nr5 h LEU 141 Cb 1.24 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1nr5 h LEU 141 CO 0.60 0.81 0.48 0.25 -0.34 0.00 0.00 178.44 180.24 1nr5 h LEU 142 N 0.97 0.90 -0.26 2.25 6.46 -1.86 -2.16 115.31 121.61 1nr5 h LEU 142 Ca 0.24 -0.04 -0.21 0.00 -0.12 0.00 0.00 57.88 57.75 1nr5 h LEU 142 Cb 0.14 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1nr5 h LEU 142 CO -0.03 0.67 -0.75 0.00 -0.62 0.00 0.00 178.44 177.71 1nr5 h ALA 143 N 1.48 0.42 -0.53 1.25 0.00 -1.84 -0.15 119.26 119.89 1nr5 h ALA 143 Ca 0.28 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1nr5 h ALA 143 Cb -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nr5 h ALA 143 CO -0.06 0.71 0.05 0.52 0.00 0.00 0.00 179.25 180.47 1nr5 h MET 144 N 0.45 0.87 -0.01 0.00 2.86 -1.05 -1.55 114.93 116.50 1nr5 h MET 144 Ca -0.04 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1nr5 h MET 144 Cb 1.36 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1nr5 h MET 144 CO 0.15 0.84 -0.60 1.33 1.06 0.00 0.00 176.91 179.69 1nr5 n VAL 145 N -4.22 0.00 0.03 -2.22 0.24 -0.84 -4.77 118.33 106.55 1nr5 n VAL 145 Ca 0.03 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1nr5 n VAL 145 Cb 0.29 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.68 -0.36 0.03 -1.34 2.03 -0.10 -4.41 116.55 111.72 1nr5 n ASP 146 Ca 0.08 0.12 0.04 0.00 0.52 0.00 0.00 54.79 55.55 1nr5 n ASP 146 Cb 0.40 0.55 0.45 0.00 -0.72 0.00 0.00 41.12 41.80 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 0.41 1.07 1.67 4.64 -1.48 -2.45 113.55 117.42 1nr5 h SER 147 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nr5 h SER 147 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1nr5 h SER 147 CO 0.00 0.31 0.00 -1.54 -0.87 0.00 0.00 176.83 174.73 1nr5 n SER 148 N -4.48 0.61 -4.73 4.97 3.41 -0.60 -4.78 113.62 108.03 1nr5 n SER 148 Ca 0.02 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.87 1nr5 n SER 148 Cb 0.07 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 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 -3.16 4.61 0.00 -1.33 1.01 -0.92 -4.65 121.20 116.75 1nr5 s ILE 149 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1nr5 s ILE 149 Cb 0.12 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1nr5 s ILE 149 CO 0.49 0.61 0.00 0.61 0.00 0.00 0.00 174.94 176.64 1nr5 n GLY 150 N 2.13 2.76 2.67 6.18 0.00 -1.26 -4.69 105.19 112.98 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 -0.93 0.61 3.72 -0.02 0.00 -1.26 -4.86 105.19 102.45 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 -0.27 4.57 0.13 1.61 1.02 -1.26 -0.38 119.74 125.15 1nr5 s LYS 152 Ca 0.00 1.54 0.03 0.00 0.02 0.00 0.00 55.97 57.56 1nr5 s LYS 152 Cb 0.00 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1nr5 s LYS 152 CO 0.00 -0.01 -0.09 0.95 -0.92 0.00 0.00 175.35 175.28 1nr5 s THR 153 N 0.62 0.99 0.00 2.17 -4.23 -0.35 -4.83 115.64 110.01 1nr5 s THR 153 Ca 0.52 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1nr5 s THR 153 Cb -0.24 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1nr5 s THR 153 CO 0.30 -0.79 0.00 0.00 -0.54 0.00 0.00 174.62 173.58 1nr5 n ALA 154 N -0.13 0.00 -2.24 3.99 0.00 -1.18 -1.95 120.51 119.00 1nr5 n ALA 154 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1nr5 n ALA 154 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 0.83 0.49 0.00 -4.36 -0.32 -4.15 121.20 111.70 1nr5 s ILE 155 Ca 0.00 -1.99 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 1nr5 s ILE 155 Cb 0.00 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.78 1nr5 s ILE 155 CO 0.00 -0.61 0.68 -1.81 0.24 0.00 0.00 174.94 173.43 1nr5 s ASP 156 N -3.16 5.40 0.16 4.36 1.01 -0.27 -2.89 116.67 121.28 1nr5 s ASP 156 Ca 0.20 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 52.86 1nr5 s ASP 156 Cb 0.05 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 1nr5 s ASP 156 CO 0.02 -1.03 0.02 0.42 0.21 0.00 0.00 175.17 174.80 1nr5 s THR 157 N -2.50 0.50 0.57 -1.27 -4.23 -0.99 -4.43 115.64 103.29 1nr5 s THR 157 Ca 0.58 -1.95 0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1nr5 s THR 157 Cb -0.08 -2.07 0.41 0.00 1.34 0.00 0.00 72.50 72.10 1nr5 s THR 157 CO 0.36 -0.50 1.89 -0.65 -0.54 0.00 0.00 174.62 175.19 1nr5 h PRO 158 N 2.76 0.00 0.00 3.99 0.11 -2.00 -0.74 132.00 136.12 1nr5 h PRO 158 Ca -0.36 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 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 0.62 0.00 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.15 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1nr5 h LEU 159 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1nr5 h LEU 159 CO -0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1nr5 n GLY 160 N 0.42 -1.70 3.74 0.83 0.00 -0.29 -5.01 105.19 103.19 1nr5 n GLY 160 Ca 0.01 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.58 4.77 -0.91 1.61 -0.14 -1.26 -2.35 119.74 119.88 1nr5 s LYS 161 Ca 0.00 1.48 -0.20 0.00 -1.36 0.00 0.00 55.97 55.89 1nr5 s LYS 161 Cb 0.00 -3.33 0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1nr5 s LYS 161 CO 0.00 0.36 0.38 0.09 -0.76 0.00 0.00 175.35 175.42 1nr5 n ASN 162 N 2.13 -2.12 0.12 2.83 3.02 -1.24 -4.85 115.26 115.14 1nr5 n ASN 162 Ca 0.00 -0.92 0.12 0.00 -0.03 0.00 0.00 54.58 53.75 1nr5 n ASN 162 Cb 0.48 -1.11 0.03 0.00 -0.61 0.00 0.00 39.78 38.57 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 -0.96 0.00 -7.87 3.41 3.38 -1.75 -3.45 115.31 108.07 1nr5 h LEU 163 Ca -0.50 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 56.97 1nr5 h LEU 163 Cb 0.99 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.40 1nr5 h LEU 163 CO 0.39 0.01 -0.80 -0.63 0.09 0.00 0.00 178.44 177.50 1nr5 s ILE 164 N -3.34 0.95 -0.67 1.22 -1.09 -1.23 -5.04 121.20 112.00 1nr5 s ILE 164 Ca 0.01 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1nr5 s ILE 164 Cb 0.09 -0.91 0.00 0.00 -1.58 0.00 0.00 42.46 40.06 1nr5 s ILE 164 CO 0.77 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 175.42 1nr5 n GLY 165 N 4.08 -0.82 3.35 6.18 0.00 -1.26 -1.17 105.19 115.55 1nr5 n GLY 165 Ca -0.21 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.10 -0.32 4.61 0.00 -0.82 -4.95 121.76 118.17 1nr5 s ALA 166 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1nr5 s ALA 166 Cb 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1nr5 s ALA 166 CO 0.00 -0.68 0.53 0.42 0.00 0.00 0.00 175.76 176.03 1nr5 s ILE 167 N -3.79 5.02 -0.23 0.00 -1.09 -1.26 -1.21 121.20 118.63 1nr5 s ILE 167 Ca 0.03 0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 58.98 1nr5 s ILE 167 Cb 0.01 -3.93 0.11 0.00 -1.58 0.00 0.00 42.46 37.07 1nr5 s ILE 167 CO -0.12 -0.13 0.27 0.86 -1.23 0.00 0.00 174.94 174.60 1nr5 s TRP 168 N 2.41 -0.44 0.21 3.97 -0.11 0.48 -5.00 118.94 120.46 1nr5 s TRP 168 Ca 0.20 0.29 -0.30 0.00 1.22 0.00 0.00 56.10 57.51 1nr5 s TRP 168 Cb -0.15 -0.29 -0.08 0.00 -1.50 0.00 0.00 33.47 31.44 1nr5 s TRP 168 CO 0.12 -0.69 1.09 -0.65 -4.62 0.00 0.00 176.95 172.20 1nr5 s GLN 169 N 2.38 4.62 0.61 5.86 -1.52 -1.26 -4.49 119.66 125.87 1nr5 s GLN 169 Ca 0.09 1.73 -0.14 0.00 -1.95 0.00 0.00 55.36 55.09 1nr5 s GLN 169 Cb -0.15 -3.26 -0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1nr5 s GLN 169 CO -0.17 0.13 1.05 -1.25 -0.25 0.00 0.00 175.29 174.80 1nr5 s PRO 170 N -0.67 3.32 0.15 2.91 0.04 -1.26 -4.79 135.00 134.69 1nr5 s PRO 170 Ca 0.48 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1nr5 s PRO 170 Cb -0.30 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1nr5 s PRO 170 CO 0.36 -0.80 1.34 1.15 0.04 0.00 0.00 177.00 179.09 1nr5 h THR 171 N 0.12 1.56 -3.37 1.26 2.02 -0.72 -3.46 112.91 110.32 1nr5 h THR 171 Ca -0.46 -2.87 -0.11 0.00 0.77 0.00 0.00 66.41 63.74 1nr5 h THR 171 Cb 1.21 2.62 -0.18 0.00 -1.74 0.00 0.00 68.15 70.06 1nr5 h THR 171 CO 0.58 0.83 -0.32 -0.54 0.37 0.00 0.00 175.52 176.44 1nr5 s LYS 172 N -3.02 0.73 -0.14 6.66 -0.14 -1.26 -4.76 119.74 117.81 1nr5 s LYS 172 Ca -0.02 -0.50 -0.01 0.00 -1.36 0.00 0.00 55.97 54.08 1nr5 s LYS 172 Cb 0.10 0.31 0.04 0.00 -1.68 0.00 0.00 37.83 36.60 1nr5 s LYS 172 CO 0.83 -0.22 -0.02 0.42 -0.76 0.00 0.00 175.35 175.60 1nr5 s ILE 173 N -2.31 0.77 -0.30 2.17 1.01 0.31 -1.07 121.20 121.78 1nr5 s ILE 173 Ca -0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 1nr5 s ILE 173 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1nr5 s ILE 173 CO -0.02 0.11 0.11 -0.31 0.00 0.00 0.00 174.94 174.82 1nr5 s TYR 174 N 1.78 3.16 -0.50 3.97 2.02 0.03 -1.30 117.35 126.51 1nr5 s TYR 174 Ca 0.02 -0.82 -0.12 0.00 -0.37 0.00 0.00 57.07 55.78 1nr5 s TYR 174 Cb -0.15 -2.29 0.12 0.00 -0.40 0.00 0.00 41.96 39.25 1nr5 s TYR 174 CO -0.07 -0.53 0.40 0.42 -1.57 0.00 0.00 175.55 174.20 1nr5 s ILE 175 N 1.54 4.58 -0.47 2.71 1.01 0.20 -3.69 121.20 127.08 1nr5 s ILE 175 Ca 0.03 -1.68 -0.13 0.00 0.00 0.00 0.00 60.65 58.88 1nr5 s ILE 175 Cb -0.17 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.41 1nr5 s ILE 175 CO 0.04 -0.81 0.37 -0.62 0.00 0.00 0.00 174.94 173.92 1nr5 s ASP 176 N 3.02 5.92 0.46 3.58 -1.08 -1.26 -1.63 116.67 125.69 1nr5 s ASP 176 Ca 0.05 -1.60 0.27 0.00 -0.52 0.00 0.00 52.55 50.74 1nr5 s ASP 176 Cb -0.28 -2.10 1.47 0.00 -1.46 0.00 0.00 42.92 40.56 1nr5 s ASP 176 CO 0.01 -0.67 1.81 -0.07 0.52 0.00 0.00 175.17 176.76 1nr5 h LEU 177 N 8.62 0.00 -2.29 -1.34 3.38 -1.89 -2.36 115.31 119.44 1nr5 h LEU 177 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1nr5 h LEU 177 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nr5 h LEU 177 CO 0.88 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 179.30 1nr5 h GLU 178 N 0.00 0.00 0.00 1.13 4.81 -1.93 -2.55 114.58 116.05 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 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1nr5 h GLU 178 CO 0.00 0.03 -0.11 0.74 -0.73 0.00 0.00 179.01 178.94 1nr5 h PHE 179 N 0.00 0.00 0.00 0.92 0.04 -1.74 -2.48 116.94 113.68 1nr5 h PHE 179 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1nr5 h PHE 179 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1nr5 h PHE 179 CO 0.00 0.11 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.72 1nr5 h LEU 180 N 0.00 0.00 -0.98 1.54 3.38 -1.67 -3.05 115.31 114.54 1nr5 h LEU 180 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1nr5 h LEU 180 Cb 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1nr5 h LEU 180 CO 0.01 0.03 0.59 -0.33 0.09 0.00 0.00 178.44 178.84 1nr5 h GLU 181 N 0.00 0.80 -0.06 1.13 4.39 -1.63 -2.26 114.58 116.94 1nr5 h GLU 181 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1nr5 h GLU 181 Cb 0.21 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1nr5 h GLU 181 CO 0.00 0.53 0.00 0.25 -1.16 0.00 0.00 179.01 178.63 1nr5 n THR 182 N -4.73 0.05 -2.18 1.13 -2.24 -1.15 -4.90 114.28 100.25 1nr5 n THR 182 Ca 0.21 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1nr5 n THR 182 Cb 0.48 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 70.03 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 -1.95 4.40 0.56 3.22 2.96 -0.85 -4.97 118.68 122.04 1nr5 s LEU 183 Ca 0.30 2.40 -0.21 0.00 -0.22 0.00 0.00 54.13 56.41 1nr5 s LEU 183 Cb 0.20 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1nr5 s LEU 183 CO 0.30 -0.58 1.28 -2.84 -1.32 0.00 0.00 176.35 173.20 1nr5 s PRO 184 N 0.20 3.12 0.20 0.98 0.02 -1.26 -4.81 135.00 133.45 1nr5 s PRO 184 Ca 0.59 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 63.54 1nr5 s PRO 184 Cb -0.37 -2.14 0.27 0.00 0.02 0.00 0.00 34.50 32.27 1nr5 s PRO 184 CO 0.36 -1.14 1.72 0.28 -0.33 0.00 0.00 177.00 177.89 1nr5 h VAL 185 N 1.26 0.69 -0.96 3.83 2.07 -1.93 -1.57 116.25 119.64 1nr5 h VAL 185 Ca -0.51 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1nr5 h VAL 185 Cb 1.30 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1nr5 h VAL 185 CO 0.57 0.05 0.63 -0.09 0.02 0.00 0.00 177.57 178.75 1nr5 h ARG 186 N 0.29 1.23 -0.40 1.57 2.43 -1.99 -1.18 114.38 116.32 1nr5 h ARG 186 Ca 0.30 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1nr5 h ARG 186 Cb 0.42 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1nr5 h ARG 186 CO -0.36 0.81 -0.12 0.93 -1.51 0.00 0.00 179.97 179.72 1nr5 h GLU 187 N 1.26 0.78 -0.24 0.20 4.39 -1.73 -0.60 114.58 118.65 1nr5 h GLU 187 Ca 0.36 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1nr5 h GLU 187 Cb -0.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1nr5 h GLU 187 CO -0.09 0.93 0.15 0.35 -1.16 0.00 0.00 179.01 179.19 1nr5 h PHE 188 N 0.60 0.29 -0.53 4.33 3.04 -0.87 -1.35 116.94 122.44 1nr5 h PHE 188 Ca 0.10 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.00 1nr5 h PHE 188 Cb 0.65 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 1nr5 h PHE 188 CO 0.05 0.18 0.10 0.82 -2.02 0.00 0.00 178.31 177.44 1nr5 h ILE 189 N 0.31 1.23 -0.92 1.41 2.04 -1.16 -2.25 117.51 118.18 1nr5 h ILE 189 Ca 0.09 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1nr5 h ILE 189 Cb -0.03 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1nr5 h ILE 189 CO -0.02 0.32 0.60 -1.13 0.00 0.00 0.00 178.15 177.91 1nr5 h ASN 190 N 0.79 0.95 0.70 1.72 -1.24 -0.52 -2.02 115.58 115.97 1nr5 h ASN 190 Ca 0.17 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.08 1nr5 h ASN 190 Cb 0.34 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1nr5 h ASN 190 CO 0.00 0.62 -0.47 1.23 -1.29 0.00 0.00 177.43 177.53 1nr5 h GLY 191 N 1.08 0.00 2.00 1.57 0.00 -0.67 -3.10 103.07 103.95 1nr5 h GLY 191 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1nr5 h GLY 191 CO -0.14 0.00 -0.07 -0.33 0.00 0.00 0.00 176.54 176.01 1nr5 h MET 192 N 0.00 0.00 -0.72 4.80 2.86 -1.07 -2.44 114.93 118.35 1nr5 h MET 192 Ca -0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1nr5 h MET 192 Cb 0.95 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1nr5 h MET 192 CO 0.06 0.07 0.48 0.00 1.06 0.00 0.00 176.91 178.58 1nr5 h ALA 193 N 1.93 1.55 -0.06 6.32 0.00 -1.60 0.72 119.26 128.13 1nr5 h ALA 193 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1nr5 h ALA 193 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nr5 h ALA 193 CO 0.01 0.39 -0.80 0.93 0.00 0.00 0.00 179.25 179.77 1nr5 h GLU 194 N 0.91 0.42 -0.11 0.00 4.39 -1.64 -1.47 114.58 117.08 1nr5 h GLU 194 Ca 0.28 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1nr5 h GLU 194 Cb 0.00 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1nr5 h GLU 194 CO -0.07 1.03 0.04 0.28 -1.16 0.00 0.00 179.01 179.12 1nr5 h VAL 195 N 0.27 1.16 -0.72 3.13 2.07 -1.31 -0.22 116.25 120.64 1nr5 h VAL 195 Ca -0.05 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1nr5 h VAL 195 Cb 1.40 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1nr5 h VAL 195 CO 0.14 0.15 0.36 0.40 0.02 0.00 0.00 177.57 178.64 1nr5 h ILE 196 N -0.00 1.23 -0.52 4.57 2.04 -0.90 -1.44 117.51 122.49 1nr5 h ILE 196 Ca 0.03 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1nr5 h ILE 196 Cb 0.20 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1nr5 h ILE 196 CO -0.00 0.26 0.33 0.50 0.00 0.00 0.00 178.15 179.24 1nr5 h LYS 197 N 1.00 0.69 -0.58 2.37 3.64 -1.09 -0.93 116.57 121.67 1nr5 h LYS 197 Ca 0.25 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1nr5 h LYS 197 Cb 0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1nr5 h LYS 197 CO -0.03 0.47 0.07 1.15 -2.27 0.00 0.00 179.45 178.84 1nr5 h THR 198 N 0.70 1.25 -0.32 1.00 2.02 -0.66 -2.78 112.91 114.12 1nr5 h THR 198 Ca 0.19 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 1nr5 h THR 198 Cb -0.06 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1nr5 h THR 198 CO -0.04 0.36 -0.11 0.00 0.37 0.00 0.00 175.52 176.10 1nr5 h ALA 199 N 1.19 0.44 -0.03 6.16 0.00 -1.00 -3.08 119.26 122.94 1nr5 h ALA 199 Ca 0.18 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nr5 h ALA 199 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nr5 h ALA 199 CO 0.01 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.60 1nr5 h ALA 200 N 0.78 1.88 -0.02 0.00 0.00 -0.94 0.12 119.26 121.08 1nr5 h ALA 200 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nr5 h ALA 200 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nr5 h ALA 200 CO 0.04 -0.05 -0.14 0.44 0.00 0.00 0.00 179.25 179.55 1nr5 n ILE 201 N -4.30 0.00 0.00 0.00 -5.35 -1.07 0.12 119.36 108.76 1nr5 n ILE 201 Ca -0.02 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1nr5 n ILE 201 Cb 0.12 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 0.61 2.06 -3.60 7.28 3.41 -0.85 -4.49 113.62 118.04 1nr5 n SER 202 Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1nr5 n SER 202 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 -3.68 0.21 0.40 4.04 0.15 -0.03 -4.83 113.70 109.96 1nr5 s SER 203 Ca 0.00 0.61 0.10 0.00 0.70 0.00 0.00 55.95 57.36 1nr5 s SER 203 Cb 0.00 0.95 0.89 0.00 -1.71 0.00 0.00 66.02 66.15 1nr5 s SER 203 CO 0.00 -0.25 1.96 -0.08 1.20 0.00 0.00 173.24 176.07 1nr5 h GLU 204 N 8.24 0.57 -0.16 5.44 4.22 -1.78 -1.25 114.58 129.85 1nr5 h GLU 204 Ca -0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.24 1nr5 h GLU 204 Cb 1.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1nr5 h GLU 204 CO 0.16 0.38 0.05 0.93 -2.18 0.00 0.00 179.01 178.34 1nr5 h GLU 205 N 0.58 0.25 -0.71 1.92 5.08 -1.93 0.27 114.58 120.04 1nr5 h GLU 205 Ca 0.31 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1nr5 h GLU 205 Cb 0.43 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1nr5 h GLU 205 CO -0.10 0.38 0.40 1.49 -1.00 0.00 0.00 179.01 180.18 1nr5 h GLU 206 N 0.07 0.99 -0.79 2.33 4.57 -1.84 -0.02 114.58 119.89 1nr5 h GLU 206 Ca 0.05 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1nr5 h GLU 206 Cb 0.24 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1nr5 h GLU 206 CO -0.00 0.73 0.50 0.35 -1.18 0.00 0.00 179.01 179.41 1nr5 h PHE 207 N 0.98 1.01 -0.61 0.92 3.04 -0.91 -0.75 116.94 120.62 1nr5 h PHE 207 Ca 0.25 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 1nr5 h PHE 207 Cb 0.02 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.16 1nr5 h PHE 207 CO -0.01 0.65 0.29 1.15 -2.02 0.00 0.00 178.31 178.38 1nr5 h THR 208 N 1.07 1.22 -0.91 4.41 2.02 -0.40 -1.79 112.91 118.53 1nr5 h THR 208 Ca 0.29 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.89 1nr5 h THR 208 Cb -0.09 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1nr5 h THR 208 CO -0.06 0.25 0.59 0.00 0.37 0.00 0.00 175.52 176.67 1nr5 h ALA 209 N 1.12 1.45 -0.29 6.16 0.00 -0.21 -0.34 119.26 127.15 1nr5 h ALA 209 Ca 0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1nr5 h ALA 209 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nr5 h ALA 209 CO -0.03 0.45 -0.23 -0.07 0.00 0.00 0.00 179.25 179.38 1nr5 h LEU 210 N 1.11 0.55 -0.05 0.00 3.38 -0.37 -2.08 115.31 117.85 1nr5 h LEU 210 Ca 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1nr5 h LEU 210 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1nr5 h LEU 210 CO -0.12 0.77 -0.02 -0.33 0.09 0.00 0.00 178.44 178.83 1nr5 h GLU 211 N 0.48 0.10 0.00 1.13 5.08 -0.49 -2.70 114.58 118.19 1nr5 h GLU 211 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1nr5 h GLU 211 Cb 0.66 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1nr5 h GLU 211 CO 0.05 0.48 -0.06 0.93 -1.00 0.00 0.00 179.01 179.40 1nr5 h GLU 212 N -0.27 0.00 -0.17 2.33 5.08 -0.99 -2.93 114.58 117.63 1nr5 h GLU 212 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1nr5 h GLU 212 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nr5 h GLU 212 CO 0.01 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.17 1nr5 n ASN 213 N -4.33 2.86 -0.18 1.42 5.03 -0.79 -4.62 115.26 114.64 1nr5 n ASN 213 Ca -0.03 -1.85 -0.04 0.00 0.87 0.00 0.00 54.58 53.53 1nr5 n ASN 213 Cb 0.14 -0.10 0.03 0.00 -1.02 0.00 0.00 39.78 38.82 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 3.68 0.12 0.57 5.41 0.00 -1.28 -1.22 119.26 126.54 1nr5 h ALA 214 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1nr5 h ALA 214 Cb 0.82 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1nr5 h ALA 214 CO 0.00 -0.58 -0.31 0.93 0.00 0.00 0.00 179.25 179.29 1nr5 h GLU 215 N -0.12 -0.79 -0.55 0.00 4.39 -1.82 0.15 114.58 115.85 1nr5 h GLU 215 Ca 0.25 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.10 1nr5 h GLU 215 Cb 0.51 0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.26 1nr5 h GLU 215 CO -0.62 -0.53 0.10 1.15 -1.16 0.00 0.00 179.01 177.95 1nr5 h THR 216 N -0.82 0.67 0.65 1.13 2.02 -1.81 -0.09 112.91 114.66 1nr5 h THR 216 Ca -0.07 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1nr5 h THR 216 Cb 0.65 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1nr5 h THR 216 CO 0.10 0.04 -0.31 0.40 0.37 0.00 0.00 175.52 176.12 1nr5 h ILE 217 N 0.23 0.31 -0.88 3.11 2.04 -1.12 -2.58 117.51 118.63 1nr5 h ILE 217 Ca 0.28 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 66.14 1nr5 h ILE 217 Cb 0.40 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1nr5 h ILE 217 CO -0.37 0.02 0.57 0.25 0.00 0.00 0.00 178.15 178.62 1nr5 h LEU 218 N -0.98 0.59 -0.48 1.44 5.85 -0.66 -1.12 115.31 119.95 1nr5 h LEU 218 Ca -0.09 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 1nr5 h LEU 218 Cb 0.70 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1nr5 h LEU 218 CO 0.15 0.29 -0.36 0.11 -0.34 0.00 0.00 178.44 178.28 1nr5 h LYS 219 N 0.62 0.86 -0.50 1.25 1.57 -0.91 -2.26 116.57 117.20 1nr5 h LYS 219 Ca 0.45 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1nr5 h LYS 219 Cb 0.81 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1nr5 h LYS 219 CO -0.20 1.08 -0.08 0.00 -0.57 0.00 0.00 179.45 179.68 1nr5 h ALA 220 N 0.87 0.68 -0.93 3.86 0.00 -0.88 -2.02 119.26 120.84 1nr5 h ALA 220 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1nr5 h ALA 220 Cb 0.93 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1nr5 h ALA 220 CO 0.09 0.56 0.55 0.28 0.00 0.00 0.00 179.25 180.72 1nr5 h VAL 221 N 0.78 1.26 0.00 0.00 2.07 -1.14 -2.75 116.25 116.47 1nr5 h VAL 221 Ca 0.13 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nr5 h VAL 221 Cb 0.63 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1nr5 h VAL 221 CO 0.04 0.27 -0.24 0.54 0.02 0.00 0.00 177.57 178.20 1nr5 n ARG 222 N -4.35 0.21 -1.63 1.57 1.74 -0.86 -4.85 116.66 108.49 1nr5 n ARG 222 Ca 0.10 0.13 -0.37 0.00 -0.77 0.00 0.00 57.85 56.94 1nr5 n ARG 222 Cb 0.07 -1.70 0.07 0.00 -1.02 0.00 0.00 32.46 29.88 1nr5 n ARG 222 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1nr5 n ARG 223 N -2.04 0.95 -3.13 5.56 0.63 -0.77 -4.98 116.66 112.89 1nr5 n ARG 223 Ca 0.05 0.38 -0.39 0.00 -0.92 0.00 0.00 57.85 56.97 1nr5 n ARG 223 Cb 0.41 -2.44 -0.05 0.00 0.45 0.00 0.00 32.46 30.83 1nr5 n ARG 223 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1nr5 s GLU 224 N -3.32 4.37 -0.14 -0.14 0.41 -1.26 -5.06 118.70 113.56 1nr5 s GLU 224 Ca 0.80 0.73 -0.00 0.00 -0.41 0.00 0.00 54.97 56.09 1nr5 s GLU 224 Cb -0.38 -3.47 -0.01 0.00 -1.78 0.00 0.00 34.13 28.49 1nr5 s GLU 224 CO 0.43 0.03 -0.13 0.54 -0.49 0.00 0.00 175.26 175.64 1nr5 s VAL 225 N 0.96 3.03 0.44 2.63 0.11 -1.26 -5.07 120.40 121.25 1nr5 s VAL 225 Ca 0.33 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1nr5 s VAL 225 Cb -0.17 -2.28 0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1nr5 s VAL 225 CO 0.15 0.52 0.63 0.42 -3.33 0.00 0.00 175.10 173.49 1nr5 s THR 226 N 0.43 3.57 0.29 5.04 -4.23 -1.26 -5.04 115.64 114.44 1nr5 s THR 226 Ca -0.10 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 1nr5 s THR 226 Cb -0.16 -3.29 -0.13 0.00 1.34 0.00 0.00 72.50 70.27 1nr5 s THR 226 CO 0.05 -0.17 1.38 -2.65 -0.54 0.00 0.00 174.62 172.69 1nr5 n PRO 227 N -2.01 2.14 0.00 3.99 -0.02 -1.26 -2.78 135.00 135.07 1nr5 n PRO 227 Ca 0.03 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1nr5 n PRO 227 Cb 0.58 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.59 3.14 3.80 -1.23 0.00 -1.26 -5.05 105.19 106.19 1nr5 n GLY 228 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 2.77 -0.07 1.61 -1.05 -1.12 -5.13 118.70 115.35 1nr5 s GLU 229 Ca 0.00 -1.18 -0.01 0.00 -0.15 0.00 0.00 54.97 53.63 1nr5 s GLU 229 Cb 0.00 -2.47 -0.03 0.00 -0.44 0.00 0.00 34.13 31.18 1nr5 s GLU 229 CO 0.00 0.32 -0.01 -1.01 0.95 0.00 0.00 175.26 175.51 1nr5 s HIS 230 N -2.21 3.11 0.44 4.83 3.76 -1.26 -4.76 115.29 119.19 1nr5 s HIS 230 Ca 0.35 0.14 0.10 0.00 -0.15 0.00 0.00 55.06 55.50 1nr5 s HIS 230 Cb -0.07 -1.75 0.98 0.00 1.11 0.00 0.00 32.58 32.85 1nr5 s HIS 230 CO 0.24 0.44 2.08 0.07 -0.85 0.00 0.00 174.74 176.73 1nr5 h ARG 231 N 5.01 0.39 -1.00 1.40 0.11 -1.93 -2.31 114.38 116.06 1nr5 h ARG 231 Ca -0.50 -0.02 -0.67 0.00 0.10 0.00 0.00 59.98 58.89 1nr5 h ARG 231 Cb 1.19 -0.09 -0.30 0.00 1.11 0.00 0.00 29.97 31.87 1nr5 h ARG 231 CO 0.55 0.26 0.70 1.19 0.10 0.00 0.00 179.97 182.77 1nr5 n PHE 232 N -4.49 3.18 -0.40 4.08 3.72 -1.26 -4.73 117.46 117.56 1nr5 n PHE 232 Ca 0.02 -2.94 -0.08 0.00 -0.05 0.00 0.00 57.45 54.41 1nr5 n PHE 232 Cb 0.09 -1.33 -0.05 0.00 -0.94 0.00 0.00 39.48 37.25 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 2.04 -0.01 -0.44 -1.08 4.22 -1.82 -2.90 114.58 114.59 1nr5 h GLU 233 Ca 0.58 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.02 1nr5 h GLU 233 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1nr5 h GLU 233 CO 1.51 -0.00 0.00 0.41 -2.18 0.00 0.00 179.01 178.74 1nr5 n GLY 234 N -1.33 2.58 0.26 1.92 0.00 -1.26 -4.55 105.19 102.81 1nr5 n GLY 234 Ca 0.05 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 0.84 1.68 -0.15 2.61 -2.24 -1.10 -4.80 114.28 111.12 1nr5 n THR 235 Ca 0.15 -2.16 -0.08 0.00 -2.27 0.00 0.00 64.05 59.69 1nr5 n THR 235 Cb 0.48 -0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.22 0.61 -0.75 -0.78 3.07 -1.78 -0.03 114.58 115.15 1nr5 h GLU 236 Ca -0.01 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1nr5 h GLU 236 Cb 1.07 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.82 1nr5 h GLU 236 CO 0.00 0.46 0.45 0.93 -1.40 0.00 0.00 179.01 179.45 1nr5 h GLU 237 N 0.59 1.01 -0.12 2.33 3.07 -1.91 0.13 114.58 119.67 1nr5 h GLU 237 Ca 0.16 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 58.87 1nr5 h GLU 237 Cb 0.01 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 1nr5 h GLU 237 CO -0.03 0.70 -0.16 0.82 -1.40 0.00 0.00 179.01 178.94 1nr5 h ILE 238 N 1.03 1.36 -0.33 3.13 2.04 -1.79 -2.47 117.51 120.48 1nr5 h ILE 238 Ca 0.27 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1nr5 h ILE 238 Cb -0.05 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1nr5 h ILE 238 CO -0.05 0.40 0.13 0.25 0.00 0.00 0.00 178.15 178.87 1nr5 h LEU 239 N -0.07 0.46 -0.87 1.44 5.85 -0.75 -2.36 115.31 119.02 1nr5 h LEU 239 Ca 0.01 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1nr5 h LEU 239 Cb 0.71 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1nr5 h LEU 239 CO 0.04 0.51 0.57 0.50 -0.34 0.00 0.00 178.44 179.72 1nr5 h LYS 240 N 0.39 1.09 -0.44 1.25 3.64 -0.79 -1.98 116.57 119.73 1nr5 h LYS 240 Ca 0.11 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1nr5 h LYS 240 Cb 0.19 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1nr5 h LYS 240 CO -0.01 0.72 0.20 0.00 -2.27 0.00 0.00 179.45 178.09 1nr5 h ALA 241 N 1.34 0.57 -0.70 5.00 0.00 -1.19 -1.15 119.26 123.14 1nr5 h ALA 241 Ca 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1nr5 h ALA 241 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1nr5 h ALA 241 CO -0.10 0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.64 1nr5 h ARG 242 N 0.57 1.00 -0.10 0.00 2.47 -1.09 -1.32 114.38 115.92 1nr5 h ARG 242 Ca 0.15 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1nr5 h ARG 242 Cb 0.15 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1nr5 h ARG 242 CO -0.02 0.79 -0.02 0.82 0.56 0.00 0.00 179.97 182.10 1nr5 h ILE 243 N 0.97 1.29 -0.32 2.04 2.04 -1.17 -2.81 117.51 119.55 1nr5 h ILE 243 Ca 0.24 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1nr5 h ILE 243 Cb 0.12 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1nr5 h ILE 243 CO -0.03 0.27 0.01 -0.07 0.00 0.00 0.00 178.15 178.33 1nr5 h LEU 244 N -0.14 0.45 -0.81 1.44 4.07 -1.17 0.02 115.31 119.18 1nr5 h LEU 244 Ca 0.02 -0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1nr5 h LEU 244 Cb 0.43 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1nr5 h LEU 244 CO 0.01 0.51 0.21 0.00 -1.08 0.00 0.00 178.44 178.09 1nr5 h ALA 245 N 1.55 1.03 -0.08 1.53 0.00 -1.19 0.22 119.26 122.32 1nr5 h ALA 245 Ca 0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1nr5 h ALA 245 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nr5 h ALA 245 CO 0.01 0.65 -0.16 1.03 0.00 0.00 0.00 179.25 180.77 1nr5 h SER 246 N 1.06 0.28 -0.39 0.00 0.87 -1.18 -2.60 113.55 111.59 1nr5 h SER 246 Ca 0.23 -0.56 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1nr5 h SER 246 Cb 0.31 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1nr5 h SER 246 CO -0.01 0.79 0.25 0.00 -0.53 0.00 0.00 176.83 177.33 1nr5 h ALA 247 N 0.50 0.50 -0.75 6.23 0.00 -0.81 -1.39 119.26 123.53 1nr5 h ALA 247 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nr5 h ALA 247 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1nr5 h ALA 247 CO 0.04 -0.07 0.39 0.00 0.00 0.00 0.00 179.25 179.60 1nr5 h ARG 248 N 0.50 1.06 -0.45 0.00 3.08 -0.61 -0.52 114.38 117.43 1nr5 h ARG 248 Ca 0.15 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1nr5 h ARG 248 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1nr5 h ARG 248 CO -0.05 0.81 -0.20 1.25 -1.07 0.00 0.00 179.97 180.70 1nr5 h HIS 249 N 1.04 1.08 -0.65 3.04 2.76 -1.26 -1.86 115.15 119.31 1nr5 h HIS 249 Ca 0.26 -0.26 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1nr5 h HIS 249 Cb 0.07 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 1nr5 h HIS 249 CO 0.00 1.07 0.30 -0.22 -1.30 0.00 0.00 177.93 177.78 1nr5 h LYS 250 N 0.78 0.94 -0.68 5.26 3.64 -0.93 -1.78 116.57 123.80 1nr5 h LYS 250 Ca 0.10 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1nr5 h LYS 250 Cb 0.77 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1nr5 h LYS 250 CO 0.06 0.76 0.38 0.00 -2.27 0.00 0.00 179.45 178.39 1nr5 h ALA 251 N 1.13 0.92 -0.33 5.00 0.00 -0.92 0.80 119.26 125.87 1nr5 h ALA 251 Ca 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1nr5 h ALA 251 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nr5 h ALA 251 CO -0.03 0.06 0.14 -0.92 0.00 0.00 0.00 179.25 178.50 1nr5 h TYR 252 N 0.70 0.49 -0.41 0.00 3.20 -0.93 -0.56 116.97 119.45 1nr5 h TYR 252 Ca 0.31 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1nr5 h TYR 252 Cb 0.20 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1nr5 h TYR 252 CO -0.08 0.45 0.12 0.28 -1.64 0.00 0.00 178.16 177.29 1nr5 h VAL 253 N 0.39 1.22 -0.57 1.81 2.07 -0.77 -2.37 116.25 118.03 1nr5 h VAL 253 Ca 0.11 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1nr5 h VAL 253 Cb 0.16 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1nr5 h VAL 253 CO -0.01 0.26 0.01 0.58 0.02 0.00 0.00 177.57 178.43 1nr5 h VAL 254 N 0.52 1.26 -0.02 2.57 2.07 -0.77 -2.11 116.25 119.77 1nr5 h VAL 254 Ca 0.13 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1nr5 h VAL 254 Cb 0.28 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nr5 h VAL 254 CO -0.00 0.40 -0.05 0.28 0.02 0.00 0.00 177.57 178.22 1nr5 h SER 255 N 0.89 0.03 1.40 0.57 0.02 -0.99 -1.59 113.55 113.87 1nr5 h SER 255 Ca 0.16 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1nr5 h SER 255 Cb 0.54 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1nr5 h SER 255 CO 0.03 0.09 -0.60 0.00 -1.14 0.00 0.00 176.83 175.20 1nr5 h ALA 256 N 1.92 0.70 0.00 3.77 0.00 -1.00 -3.42 119.26 121.23 1nr5 h ALA 256 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1nr5 h ALA 256 Cb 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 1nr5 h ALA 256 CO 0.01 0.02 -0.47 -3.47 0.00 0.00 0.00 179.25 175.34 1nr5 n ASP 257 N -2.86 -2.75 -0.12 0.00 2.03 -0.83 -4.98 116.55 107.03 1nr5 n ASP 257 Ca 0.01 -3.35 -0.04 0.00 0.52 0.00 0.00 54.79 51.93 1nr5 n ASP 257 Cb 0.55 1.83 0.03 0.00 -0.72 0.00 0.00 41.12 42.82 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 3.76 0.16 -0.86 -0.67 4.81 -1.55 -2.50 114.58 117.74 1nr5 h GLU 258 Ca -0.14 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.83 1nr5 h GLU 258 Cb 1.05 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.25 1nr5 h GLU 258 CO 0.28 0.11 0.31 0.54 -0.73 0.00 0.00 179.01 179.51 1nr5 n ARG 259 N -5.14 2.87 -3.44 1.92 1.74 -1.26 -4.97 116.66 108.39 1nr5 n ARG 259 Ca 0.03 -2.44 -0.17 0.00 -0.77 0.00 0.00 57.85 54.50 1nr5 n ARG 259 Cb 0.20 -2.01 0.01 0.00 -1.02 0.00 0.00 32.46 29.63 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 -0.27 -1.60 0.01 5.56 2.13 -0.94 -4.91 120.64 120.62 1nr5 n GLU 260 Ca 0.37 1.21 0.09 0.00 0.66 0.00 0.00 57.16 59.49 1nr5 n GLU 260 Cb 1.26 -3.69 -0.13 0.00 0.27 0.00 0.00 31.44 29.15 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 -1.39 -1.11 0.00 8.31 0.00 -1.26 -4.93 105.19 104.82 1nr5 n GLY 261 Ca -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.28 -1.37 0.45 -0.02 0.00 -1.26 -5.00 105.19 99.27 1nr5 n GLY 262 Ca -0.05 0.57 0.34 0.00 0.00 0.00 0.00 46.02 46.88 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 0.28 -2.41 0.99 5.85 -1.82 0.95 115.31 119.16 1nr5 h LEU 263 Ca 0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1nr5 h LEU 263 Cb 0.00 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1nr5 h LEU 263 CO 0.00 -0.13 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.84 1nr5 h ARG 264 N 0.14 0.00 -1.00 1.25 2.43 -1.83 -1.60 114.38 113.78 1nr5 h ARG 264 Ca 0.77 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 60.17 1nr5 h ARG 264 Cb 2.35 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.80 1nr5 h ARG 264 CO -0.40 0.03 0.63 -0.91 -1.51 0.00 0.00 179.97 177.81 1nr5 h ASN 265 N 0.00 0.59 -0.60 -3.80 -0.26 -1.15 -1.80 115.58 108.56 1nr5 h ASN 265 Ca -0.00 0.09 0.18 0.00 -0.56 0.00 0.00 56.30 56.00 1nr5 h ASN 265 Cb 0.12 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 1nr5 h ASN 265 CO 0.00 0.17 0.45 -0.07 -1.06 0.00 0.00 177.43 176.93 1nr5 h LEU 266 N 0.55 0.00 0.00 1.61 3.38 -1.47 0.14 115.31 119.52 1nr5 h LEU 266 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1nr5 h LEU 266 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1nr5 h LEU 266 CO -0.33 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.38 1nr5 n LEU 267 N -4.26 0.00 -1.18 1.67 4.77 -0.68 -2.02 117.00 115.30 1nr5 n LEU 267 Ca 0.12 0.48 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 1nr5 n LEU 267 Cb 0.69 -0.48 0.26 0.00 -2.33 0.00 0.00 43.42 41.56 1nr5 n LEU 267 CO 0.36 -0.16 0.70 -3.20 -1.33 0.00 0.00 177.39 173.76 1nr5 n ASN 268 N -1.48 3.45 -4.74 -1.43 4.05 0.50 -4.93 115.26 110.67 1nr5 n ASN 268 Ca 0.05 -2.24 -0.42 0.00 0.45 0.00 0.00 54.58 52.42 1nr5 n ASN 268 Cb 0.22 -0.46 -0.02 0.00 1.23 0.00 0.00 39.78 40.76 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 0.85 2.88 -0.29 1.20 -0.00 -0.86 -1.01 117.44 120.22 1nr5 n TRP 269 Ca 0.19 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 1nr5 n TRP 269 Cb 0.63 -2.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.32 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 2.51 2.32 0.10 5.87 0.00 -1.26 -4.85 105.19 109.88 1nr5 n GLY 270 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1nr5 n GLY 270 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nr5 h HIS 271 N 0.00 0.00 -0.25 1.61 3.86 -1.37 -1.08 115.15 117.92 1nr5 h HIS 271 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1nr5 h HIS 271 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1nr5 h HIS 271 CO 0.00 0.00 -0.07 0.77 0.86 0.00 0.00 177.93 179.49 1nr5 h SER 272 N 0.00 0.50 0.52 2.45 0.02 -1.90 -0.22 113.55 114.91 1nr5 h SER 272 Ca 0.00 -0.37 -0.29 0.00 -0.84 0.00 0.00 61.79 60.28 1nr5 h SER 272 Cb 0.93 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1nr5 h SER 272 CO 0.00 0.76 -1.50 0.40 -1.14 0.00 0.00 176.83 175.34 1nr5 h ILE 273 N 0.23 1.16 -0.35 3.27 2.04 -1.86 -3.25 117.51 118.76 1nr5 h ILE 273 Ca 0.06 -2.85 0.01 0.00 1.00 0.00 0.00 64.86 63.08 1nr5 h ILE 273 Cb 0.55 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1nr5 h ILE 273 CO 0.03 0.79 0.22 1.23 0.00 0.00 0.00 178.15 180.42 1nr5 h GLY 274 N 2.08 0.49 1.62 5.37 0.00 -1.17 -1.78 103.07 109.68 1nr5 h GLY 274 Ca -0.22 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1nr5 h GLY 274 CO 0.14 0.16 -0.45 0.45 0.00 0.00 0.00 176.54 176.84 1nr5 h HIS 275 N 0.45 0.50 -0.18 5.60 3.86 -1.18 -0.31 115.15 123.89 1nr5 h HIS 275 Ca 0.13 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1nr5 h HIS 275 Cb -0.03 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1nr5 h HIS 275 CO -0.06 0.80 -0.15 0.00 0.86 0.00 0.00 177.93 179.38 1nr5 h ALA 276 N 1.18 1.41 0.04 2.45 0.00 -1.54 -1.23 119.26 121.57 1nr5 h ALA 276 Ca 0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1nr5 h ALA 276 Cb 0.93 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nr5 h ALA 276 CO 0.08 0.41 -0.69 0.82 0.00 0.00 0.00 179.25 179.87 1nr5 h ILE 277 N 0.28 1.44 -0.77 0.00 2.04 -1.07 -3.32 117.51 116.12 1nr5 h ILE 277 Ca 0.05 -2.21 0.02 0.00 1.00 0.00 0.00 64.86 63.73 1nr5 h ILE 277 Cb 0.44 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 39.22 1nr5 h ILE 277 CO 0.03 0.64 0.51 -0.08 0.00 0.00 0.00 178.15 179.24 1nr5 h GLU 278 N -0.14 0.96 -0.27 2.37 4.81 -0.77 -0.79 114.58 120.75 1nr5 h GLU 278 Ca -0.10 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1nr5 h GLU 278 Cb 1.43 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1nr5 h GLU 278 CO 0.13 0.63 0.19 0.00 -0.73 0.00 0.00 179.01 179.24 1nr5 h ALA 279 N 1.54 2.23 0.07 2.92 0.00 -1.33 0.29 119.26 124.98 1nr5 h ALA 279 Ca 0.29 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.87 1nr5 h ALA 279 Cb -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1nr5 h ALA 279 CO -0.08 -0.31 -1.82 -0.89 0.00 0.00 0.00 179.25 176.16 1nr5 n ILE 280 N -4.46 1.66 1.10 0.00 5.41 -0.68 -4.49 119.36 117.90 1nr5 n ILE 280 Ca 0.03 -0.42 0.13 0.00 1.00 0.00 0.00 62.75 63.50 1nr5 n ILE 280 Cb 0.34 -1.83 0.40 0.00 -0.71 0.00 0.00 39.64 37.84 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 -3.84 0.47 -4.80 1.39 4.77 -0.39 -4.87 117.00 109.74 1nr5 n LEU 281 Ca -0.35 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.35 1nr5 n LEU 281 Cb 0.91 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1nr5 n LEU 281 CO 0.31 0.10 0.72 0.28 -1.33 0.00 0.00 177.39 177.47 1nr5 s THR 282 N -2.84 3.80 -2.05 -5.08 -1.32 0.07 -1.51 115.64 106.72 1nr5 s THR 282 Ca 0.17 1.15 0.16 0.00 -1.21 0.00 0.00 61.69 61.95 1nr5 s THR 282 Cb 0.18 -3.48 0.42 0.00 -1.51 0.00 0.00 72.50 68.11 1nr5 s THR 282 CO 0.60 -0.22 1.37 -0.81 -2.21 0.00 0.00 174.62 173.36 1nr5 n PRO 283 N -0.85 2.07 -0.12 7.08 -0.04 -1.26 -4.88 135.00 137.00 1nr5 n PRO 283 Ca 0.09 -1.66 -0.12 0.00 -0.04 0.00 0.00 63.50 61.77 1nr5 n PRO 283 Cb 0.52 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 2.78 0.75 -5.23 0.54 7.50 -1.68 -3.42 115.11 116.34 1nr5 h GLN 284 Ca 0.00 -0.32 -0.62 0.00 0.50 0.00 0.00 58.65 58.22 1nr5 h GLN 284 Cb 0.63 -0.03 -0.16 0.00 0.05 0.00 0.00 27.48 27.97 1nr5 h GLN 284 CO 0.00 0.92 -0.55 0.42 -1.50 0.00 0.00 178.83 178.12 1nr5 s ILE 285 N -4.66 4.87 1.01 2.54 -1.09 -0.57 -4.99 121.20 118.31 1nr5 s ILE 285 Ca -0.12 -0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.17 1nr5 s ILE 285 Cb 0.10 -3.21 0.20 0.00 -1.58 0.00 0.00 42.46 37.96 1nr5 s ILE 285 CO 0.82 0.43 1.08 -0.76 -1.23 0.00 0.00 174.94 175.29 1nr5 s LEU 286 N 0.55 1.57 0.06 2.97 1.43 -1.26 -4.31 118.68 119.69 1nr5 s LEU 286 Ca 0.04 1.31 -0.22 0.00 -1.03 0.00 0.00 54.13 54.23 1nr5 s LEU 286 Cb -0.13 -3.48 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 1nr5 s LEU 286 CO 0.01 -3.26 1.54 -0.74 0.23 0.00 0.00 176.35 174.13 1nr5 h HIS 287 N -1.98 0.18 -0.43 0.29 -0.00 -1.98 -2.39 115.15 108.84 1nr5 h HIS 287 Ca -0.55 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 59.74 1nr5 h HIS 287 Cb 1.32 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.66 1nr5 h HIS 287 CO 0.31 0.35 0.04 0.78 -0.00 0.00 0.00 177.93 179.41 1nr5 h GLY 288 N -0.04 0.73 1.24 5.26 0.00 -1.95 0.08 103.07 108.40 1nr5 h GLY 288 Ca 0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1nr5 h GLY 288 CO 0.00 0.41 0.07 0.83 0.00 0.00 0.00 176.54 177.85 1nr5 h GLU 289 N 0.65 0.93 -0.03 4.80 5.08 -1.78 0.27 114.58 124.50 1nr5 h GLU 289 Ca 0.14 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1nr5 h GLU 289 Cb 0.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1nr5 h GLU 289 CO 0.01 0.88 -0.72 0.00 -1.00 0.00 0.00 179.01 178.18 1nr5 h VAL 291 N 0.13 1.37 -0.06 0.00 2.07 -0.63 -0.99 116.25 118.14 1nr5 h VAL 291 Ca -0.02 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 1nr5 h VAL 291 Cb 1.28 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1nr5 h VAL 291 CO 0.11 0.54 0.03 0.00 0.02 0.00 0.00 177.57 178.26 1nr5 h ALA 292 N 1.32 0.08 -0.67 1.67 0.00 -0.82 0.10 119.26 120.94 1nr5 h ALA 292 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1nr5 h ALA 292 Cb 0.99 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1nr5 h ALA 292 CO 0.08 -0.35 0.16 0.82 0.00 0.00 0.00 179.25 179.95 1nr5 h ILE 293 N -0.04 1.26 -0.34 0.00 2.04 -1.44 -2.73 117.51 116.25 1nr5 h ILE 293 Ca 0.02 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1nr5 h ILE 293 Cb 0.14 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1nr5 h ILE 293 CO -0.00 0.36 0.04 1.23 0.00 0.00 0.00 178.15 179.78 1nr5 h GLY 294 N 1.07 0.55 0.95 5.37 0.00 -0.81 -1.92 103.07 108.27 1nr5 h GLY 294 Ca 0.21 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1nr5 h GLY 294 CO 0.00 0.28 -0.09 -0.33 0.00 0.00 0.00 176.54 176.40 1nr5 h MET 295 N 0.50 0.70 -0.33 4.80 2.86 -0.50 -0.57 114.93 122.38 1nr5 h MET 295 Ca 0.11 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1nr5 h MET 295 Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1nr5 h MET 295 CO 0.00 0.86 0.11 0.28 1.06 0.00 0.00 176.91 179.22 1nr5 h VAL 296 N 0.49 1.20 -0.43 -2.22 2.07 -1.30 0.13 116.25 116.19 1nr5 h VAL 296 Ca 0.09 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1nr5 h VAL 296 Cb 0.60 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1nr5 h VAL 296 CO 0.04 0.22 -0.04 0.11 0.02 0.00 0.00 177.57 177.91 1nr5 h LYS 297 N 0.38 0.72 0.01 1.57 1.79 -1.31 -0.33 116.57 119.40 1nr5 h LYS 297 Ca 0.11 -0.20 -0.19 0.00 -2.18 0.00 0.00 60.65 58.18 1nr5 h LYS 297 Cb 0.23 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1nr5 h LYS 297 CO -0.01 0.76 -0.91 0.93 -1.08 0.00 0.00 179.45 179.14 1nr5 h GLU 298 N 0.67 0.03 -0.47 3.15 5.08 -0.89 -1.51 114.58 120.63 1nr5 h GLU 298 Ca 0.13 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1nr5 h GLU 298 Cb 0.48 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1nr5 h GLU 298 CO 0.02 0.92 -0.05 0.00 -1.00 0.00 0.00 179.01 178.90 1nr5 h ALA 299 N 1.07 0.64 -0.77 3.43 0.00 -0.46 -1.23 119.26 121.93 1nr5 h ALA 299 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1nr5 h ALA 299 Cb 1.61 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1nr5 h ALA 299 CO 0.12 0.48 0.50 0.93 0.00 0.00 0.00 179.25 181.29 1nr5 h GLU 300 N 0.71 0.98 -0.57 0.00 5.08 -0.98 -0.27 114.58 119.53 1nr5 h GLU 300 Ca 0.13 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nr5 h GLU 300 Cb 0.58 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1nr5 h GLU 300 CO 0.03 0.65 0.24 1.25 -1.00 0.00 0.00 179.01 180.18 1nr5 h LEU 301 N 1.01 0.78 -0.85 1.33 5.85 -0.99 0.19 115.31 122.62 1nr5 h LEU 301 Ca 0.29 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1nr5 h LEU 301 Cb -0.07 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1nr5 h LEU 301 CO -0.08 0.73 0.37 0.00 -0.34 0.00 0.00 178.44 179.12 1nr5 h ALA 302 N 1.08 1.10 -0.50 1.25 0.00 -0.69 -0.67 119.26 120.82 1nr5 h ALA 302 Ca 0.19 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1nr5 h ALA 302 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nr5 h ALA 302 CO -0.02 0.67 -0.11 -0.09 0.00 0.00 0.00 179.25 179.70 1nr5 h ARG 303 N 1.19 0.96 -0.44 0.00 2.43 -0.55 0.83 114.38 118.80 1nr5 h ARG 303 Ca 0.28 -0.36 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1nr5 h ARG 303 Cb 0.15 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1nr5 h ARG 303 CO -0.03 1.03 0.29 1.25 -1.51 0.00 0.00 179.97 181.00 1nr5 h HIS 304 N 0.82 0.43 -0.07 2.20 2.76 -0.05 0.47 115.15 121.71 1nr5 h HIS 304 Ca 0.13 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1nr5 h HIS 304 Cb 0.67 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1nr5 h HIS 304 CO 0.05 0.25 0.00 1.28 -1.30 0.00 0.00 177.93 178.21 1nr5 n LEU 305 N -4.48 0.88 -0.71 0.26 4.77 -0.31 -4.90 117.00 112.52 1nr5 n LEU 305 Ca 0.05 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.59 1nr5 n LEU 305 Cb 0.18 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1nr5 n LEU 305 CO 0.35 0.18 -0.09 0.61 -1.33 0.00 0.00 177.39 177.11 1nr5 n GLY 306 N 1.01 0.90 0.11 -0.72 0.00 0.16 -4.91 105.19 101.73 1nr5 n GLY 306 Ca 0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.93 1.51 -4.42 -0.61 5.41 0.25 -4.96 119.36 113.61 1nr5 n ILE 307 Ca -0.09 -0.73 -0.30 0.00 1.00 0.00 0.00 62.75 62.63 1nr5 n ILE 307 Cb 0.33 -1.04 -0.11 0.00 -0.71 0.00 0.00 39.64 38.10 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 -6.14 2.87 0.30 1.39 2.96 -1.05 -4.48 118.68 114.54 1nr5 s LEU 308 Ca -0.19 -0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 53.06 1nr5 s LEU 308 Cb 0.07 -1.69 -0.09 0.00 0.50 0.00 0.00 46.19 44.98 1nr5 s LEU 308 CO 0.75 0.22 1.02 -0.75 -1.32 0.00 0.00 176.35 176.27 1nr5 s LYS 309 N -1.80 4.61 0.51 1.98 2.47 -1.26 -4.15 119.74 122.10 1nr5 s LYS 309 Ca 0.18 1.60 0.19 0.00 -1.56 0.00 0.00 55.97 56.38 1nr5 s LYS 309 Cb -0.11 -3.04 1.29 0.00 -1.46 0.00 0.00 37.83 34.51 1nr5 s LYS 309 CO 0.09 0.24 2.11 0.78 0.16 0.00 0.00 175.35 178.73 1nr5 h GLY 310 N 3.58 0.00 1.91 5.54 0.00 -1.98 0.60 103.07 112.72 1nr5 h GLY 310 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1nr5 h GLY 310 CO 0.66 0.00 -0.37 -0.24 0.00 0.00 0.00 176.54 176.60 1nr5 h VAL 311 N 0.00 1.28 -0.32 4.60 3.04 -2.00 -2.51 116.25 120.33 1nr5 h VAL 311 Ca -0.00 -1.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.25 1nr5 h VAL 311 Cb 0.14 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1nr5 h VAL 311 CO 0.01 0.39 -0.21 0.00 -1.01 0.00 0.00 177.57 176.75 1nr5 h ALA 312 N 1.54 0.46 -0.25 3.17 0.00 -1.27 -2.57 119.26 120.34 1nr5 h ALA 312 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1nr5 h ALA 312 Cb 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1nr5 h ALA 312 CO 0.05 0.41 0.10 0.28 0.00 0.00 0.00 179.25 180.09 1nr5 h VAL 313 N 0.47 0.96 -0.16 0.00 2.07 -1.12 -1.61 116.25 116.86 1nr5 h VAL 313 Ca 0.06 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1nr5 h VAL 313 Cb 0.75 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1nr5 h VAL 313 CO 0.06 0.04 -0.19 0.77 0.02 0.00 0.00 177.57 178.27 1nr5 h SER 314 N 0.23 0.25 -0.38 0.57 4.64 -1.48 -1.41 113.55 115.98 1nr5 h SER 314 Ca 0.11 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 1nr5 h SER 314 Cb 0.05 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1nr5 h SER 314 CO -0.09 0.46 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.12 1nr5 h ARG 315 N 0.24 0.83 -0.16 4.77 2.43 -1.02 -0.70 114.38 120.78 1nr5 h ARG 315 Ca 0.04 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1nr5 h ARG 315 Cb 0.49 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1nr5 h ARG 315 CO 0.03 0.91 0.01 0.82 -1.51 0.00 0.00 179.97 180.24 1nr5 h ILE 316 N 0.75 1.24 -0.48 1.20 2.04 -0.72 -1.92 117.51 119.62 1nr5 h ILE 316 Ca 0.12 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.26 1nr5 h ILE 316 Cb 0.63 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1nr5 h ILE 316 CO 0.04 0.23 0.21 0.58 0.00 0.00 0.00 178.15 179.22 1nr5 h VAL 317 N 0.03 0.91 -0.25 1.67 2.07 -1.02 -1.72 116.25 117.94 1nr5 h VAL 317 Ca 0.05 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1nr5 h VAL 317 Cb 0.34 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1nr5 h VAL 317 CO 0.01 0.08 -0.21 0.11 0.02 0.00 0.00 177.57 177.57 1nr5 h LYS 318 N 0.42 0.45 -0.29 1.57 1.57 -1.06 -0.02 116.57 119.21 1nr5 h LYS 318 Ca 0.22 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1nr5 h LYS 318 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1nr5 h LYS 318 CO -0.19 0.64 -0.08 0.00 -0.57 0.00 0.00 179.45 179.25 1nr5 h LEU 320 N 0.32 0.33 -1.47 0.00 3.38 -1.14 -2.59 115.31 114.15 1nr5 h LEU 320 Ca 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1nr5 h LEU 320 Cb 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1nr5 h LEU 320 CO 0.03 0.38 0.15 0.00 0.09 0.00 0.00 178.44 179.09 1nr5 h ALA 321 N 0.96 1.58 0.00 1.53 0.00 -0.92 -1.88 119.26 120.53 1nr5 h ALA 321 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nr5 h ALA 321 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nr5 h ALA 321 CO -0.01 0.33 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 1nr5 h ALA 322 N 1.66 1.31 -0.03 0.00 0.00 -0.49 -2.04 119.26 119.67 1nr5 h ALA 322 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nr5 h ALA 322 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nr5 h ALA 322 CO -0.01 0.12 -0.08 0.66 0.00 0.00 0.00 179.25 179.93 1nr5 n TYR 323 N -3.65 0.00 -0.46 0.00 4.01 -0.81 -4.83 117.16 111.43 1nr5 n TYR 323 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1nr5 n TYR 323 Cb 0.21 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.34 0.77 3.83 2.72 0.00 -0.77 -4.89 105.19 108.18 1nr5 n GLY 324 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 4.07 0.54 0.99 1.43 -0.77 -5.00 118.68 119.93 1nr5 s LEU 325 Ca 0.00 1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 54.44 1nr5 s LEU 325 Cb 0.00 -4.22 -0.06 0.00 0.03 0.00 0.00 46.19 41.94 1nr5 s LEU 325 CO 0.00 -0.23 1.08 -2.16 0.23 0.00 0.00 176.35 175.26 1nr5 s PRO 326 N -2.87 3.48 0.00 1.29 0.04 -1.26 -4.19 135.00 131.49 1nr5 s PRO 326 Ca 0.56 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1nr5 s PRO 326 Cb -0.11 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1nr5 s PRO 326 CO 0.17 -0.71 0.82 0.25 0.04 0.00 0.00 177.00 177.56 1nr5 n THR 327 N -1.39 0.67 -3.47 1.26 -2.24 -1.26 -3.82 114.28 104.03 1nr5 n THR 327 Ca 0.10 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 1nr5 n THR 327 Cb 0.52 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.67 -0.48 0.41 3.42 1.04 -1.26 -4.83 113.70 111.34 1nr5 s SER 328 Ca 0.00 0.08 0.18 0.00 0.48 0.00 0.00 55.95 56.69 1nr5 s SER 328 Cb 0.00 0.49 0.88 0.00 0.10 0.00 0.00 66.02 67.49 1nr5 s SER 328 CO 0.00 -0.76 1.85 -0.07 0.98 0.00 0.00 173.24 175.25 1nr5 h LEU 329 N 2.11 0.00 0.00 2.42 3.38 -1.97 -2.42 115.31 118.83 1nr5 h LEU 329 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1nr5 h LEU 329 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1nr5 h LEU 329 CO 0.35 0.31 0.00 0.29 0.09 0.00 0.00 178.44 179.48 1nr5 n LYS 330 N -3.79 0.86 -1.59 1.13 4.76 -1.26 -4.56 118.16 113.71 1nr5 n LYS 330 Ca -0.01 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.04 1nr5 n LYS 330 Cb 0.40 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.13 1nr5 n LYS 330 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1nr5 n ASP 331 N -1.04 0.55 0.37 4.39 -0.08 -0.91 -4.84 116.55 114.98 1nr5 n ASP 331 Ca 0.21 0.84 -0.18 0.00 -1.51 0.00 0.00 54.79 54.15 1nr5 n ASP 331 Cb 0.12 -1.34 -0.09 0.00 2.34 0.00 0.00 41.12 42.15 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 0.67 -0.95 -0.83 -1.67 0.00 -1.90 -2.57 119.26 111.99 1nr5 h ALA 332 Ca -0.47 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.35 1nr5 h ALA 332 Cb 1.36 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1nr5 h ALA 332 CO 0.51 -1.04 0.46 0.00 0.00 0.00 0.00 179.25 179.18 1nr5 h ARG 333 N -0.94 0.71 -0.72 0.00 3.08 -1.98 -1.45 114.38 113.08 1nr5 h ARG 333 Ca -0.09 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1nr5 h ARG 333 Cb 0.75 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1nr5 h ARG 333 CO 0.12 0.47 0.47 0.82 -1.07 0.00 0.00 179.97 180.78 1nr5 h ILE 334 N 0.73 1.16 -0.84 2.04 1.08 -1.87 -1.72 117.51 118.09 1nr5 h ILE 334 Ca 0.42 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.54 1nr5 h ILE 334 Cb 0.47 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 1nr5 h ILE 334 CO -0.29 0.17 0.42 0.03 -0.69 0.00 0.00 178.15 177.79 1nr5 h ARG 335 N 0.95 1.20 -0.02 2.37 2.47 -0.86 -0.42 114.38 120.06 1nr5 h ARG 335 Ca 0.27 -0.16 -0.24 0.00 -1.26 0.00 0.00 59.98 58.59 1nr5 h ARG 335 Cb -0.07 -0.22 0.02 0.00 -1.65 0.00 0.00 29.97 28.05 1nr5 h ARG 335 CO -0.07 0.91 -0.92 1.57 0.56 0.00 0.00 179.97 182.01 1nr5 h LYS 336 N 1.19 0.65 -0.11 0.04 2.10 -1.14 -2.18 116.57 117.12 1nr5 h LYS 336 Ca 0.29 -0.68 -0.14 0.00 -2.00 0.00 0.00 60.65 58.12 1nr5 h LYS 336 Cb 0.09 0.19 0.01 0.00 -0.90 0.00 0.00 32.23 31.61 1nr5 h LYS 336 CO -0.04 1.27 -0.48 -0.07 -2.00 0.00 0.00 179.45 178.13 1nr5 h LEU 337 N 0.31 0.61 -3.54 7.07 3.38 -1.31 -3.03 115.31 118.80 1nr5 h LEU 337 Ca -0.11 -0.63 -0.41 0.00 0.09 0.00 0.00 57.88 56.82 1nr5 h LEU 337 Cb 1.58 -0.18 -0.24 0.00 0.09 0.00 0.00 40.66 41.91 1nr5 h LEU 337 CO 0.18 1.14 0.52 0.35 0.09 0.00 0.00 178.44 180.72 1nr5 n THR 338 N -4.25 2.73 -1.67 0.22 -2.24 -0.17 -4.94 114.28 103.96 1nr5 n THR 338 Ca -0.08 -1.52 -0.52 0.00 -2.27 0.00 0.00 64.05 59.65 1nr5 n THR 338 Cb 0.59 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.73 0.08 -2.24 6.98 0.00 -0.82 -0.88 120.51 122.89 1nr5 n ALA 339 Ca 0.46 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 54.26 1nr5 n ALA 339 Cb 1.35 -2.27 0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 3.70 0.23 3.31 0.00 0.00 -1.26 -5.05 105.19 106.13 1nr5 n GLY 340 Ca 0.22 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1nr5 n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nr5 s LYS 341 N -3.93 0.30 -0.02 1.61 2.20 -0.06 -5.17 119.74 114.67 1nr5 s LYS 341 Ca 0.07 0.68 0.04 0.00 -0.36 0.00 0.00 55.97 56.39 1nr5 s LYS 341 Cb -0.01 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 1nr5 s LYS 341 CO 0.23 -0.19 -0.13 -1.01 -0.36 0.00 0.00 175.35 173.89 1nr5 s HIS 342 N 2.64 1.23 -0.79 4.03 3.76 -1.26 -4.91 115.29 119.99 1nr5 s HIS 342 Ca 0.00 -0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 1nr5 s HIS 342 Cb -0.08 -0.81 0.15 0.00 1.11 0.00 0.00 32.58 32.95 1nr5 s HIS 342 CO -0.16 -0.05 0.87 0.00 -0.85 0.00 0.00 174.74 174.55 1nr5 s SER 344 N 3.15 4.45 0.24 0.00 1.04 -1.26 -4.88 113.70 116.44 1nr5 s SER 344 Ca 0.21 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.30 1nr5 s SER 344 Cb -0.13 -2.43 0.25 0.00 0.10 0.00 0.00 66.02 63.81 1nr5 s SER 344 CO -0.04 -2.05 1.74 0.58 0.98 0.00 0.00 173.24 174.44 1nr5 h VAL 345 N -1.14 1.25 -0.64 5.02 2.07 -1.96 -2.37 116.25 118.48 1nr5 h VAL 345 Ca -0.45 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1nr5 h VAL 345 Cb 1.24 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1nr5 h VAL 345 CO 0.53 0.37 0.18 0.44 0.02 0.00 0.00 177.57 179.11 1nr5 h ASP 346 N 0.86 0.92 -0.35 0.57 3.32 -1.99 -1.02 116.42 118.72 1nr5 h ASP 346 Ca 0.17 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1nr5 h ASP 346 Cb 0.44 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1nr5 h ASP 346 CO 0.02 0.87 -0.20 -0.61 -1.72 0.00 0.00 179.24 177.59 1nr5 h GLN 347 N 0.94 0.76 -0.60 3.56 5.75 -1.90 -0.62 115.11 123.00 1nr5 h GLN 347 Ca 0.21 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1nr5 h GLN 347 Cb 0.30 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1nr5 h GLN 347 CO -0.01 0.96 0.20 -0.07 -2.65 0.00 0.00 178.83 177.26 1nr5 h LEU 348 N 0.54 0.87 -0.96 -2.39 3.38 -1.17 0.04 115.31 115.61 1nr5 h LEU 348 Ca 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1nr5 h LEU 348 Cb 0.76 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1nr5 h LEU 348 CO 0.06 0.84 0.25 0.24 0.09 0.00 0.00 178.44 179.91 1nr5 h MET 349 N 0.85 1.00 0.02 1.13 2.86 -1.06 -0.57 114.93 119.16 1nr5 h MET 349 Ca 0.19 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1nr5 h MET 349 Cb 0.28 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1nr5 h MET 349 CO -0.01 0.83 -0.01 0.35 1.06 0.00 0.00 176.91 179.13 1nr5 h PHE 350 N 0.98 -0.02 -0.47 -0.22 3.57 -0.51 -2.84 116.94 117.42 1nr5 h PHE 350 Ca 0.22 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1nr5 h PHE 350 Cb 0.22 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1nr5 h PHE 350 CO 0.02 0.06 0.30 -0.91 -2.23 0.00 0.00 178.31 175.55 1nr5 h ASN 351 N -0.10 0.54 1.00 0.41 4.21 -0.51 -1.66 115.58 119.47 1nr5 h ASN 351 Ca -0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1nr5 h ASN 351 Cb 0.10 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1nr5 h ASN 351 CO 0.00 0.40 0.00 0.24 -1.29 0.00 0.00 177.43 176.78 1nr5 h MET 352 N 0.64 0.00 0.00 0.81 2.86 -0.90 -2.32 114.93 116.02 1nr5 h MET 352 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1nr5 h MET 352 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1nr5 h MET 352 CO -0.04 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.93 1nr5 h ALA 353 N 2.10 1.00 -0.24 6.32 0.00 -1.07 -2.18 119.26 125.19 1nr5 h ALA 353 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nr5 h ALA 353 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nr5 h ALA 353 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1nr5 n LEU 354 N -2.83 2.47 -4.70 0.00 4.77 -0.87 -4.95 117.00 110.89 1nr5 n LEU 354 Ca 0.00 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.54 1nr5 n LEU 354 Cb 0.23 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1nr5 n LEU 354 CO 0.23 0.51 1.28 -0.62 -1.33 0.00 0.00 177.39 177.46 1nr5 s ASP 355 N -1.58 6.62 0.22 -1.43 -1.08 -0.82 -4.88 116.67 113.72 1nr5 s ASP 355 Ca 0.35 2.50 0.17 0.00 -0.52 0.00 0.00 52.55 55.04 1nr5 s ASP 355 Cb 0.20 -2.57 0.84 0.00 -1.46 0.00 0.00 42.92 39.93 1nr5 s ASP 355 CO 0.29 -0.85 1.51 0.29 0.52 0.00 0.00 175.17 176.93 1nr5 n LYS 356 N 5.05 0.11 0.10 4.34 5.02 -1.26 -1.60 118.16 129.92 1nr5 n LYS 356 Ca 0.15 0.54 0.12 0.00 -2.02 0.00 0.00 58.31 57.10 1nr5 n LYS 356 Cb 0.40 -1.81 0.22 0.00 -0.02 0.00 0.00 35.03 33.82 1nr5 n LYS 356 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1nr5 h LYS 357 N 0.00 0.00 -6.95 1.97 1.57 -1.89 -3.47 116.57 107.80 1nr5 h LYS 357 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1nr5 h LYS 357 Cb 0.09 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.54 1nr5 h LYS 357 CO 0.00 0.00 0.43 0.09 -0.57 0.00 0.00 179.45 179.40 1nr5 n ASN 358 N -2.34 2.03 -4.17 0.86 3.02 -0.63 -4.66 115.26 109.37 1nr5 n ASN 358 Ca 0.04 0.93 -0.39 0.00 -0.03 0.00 0.00 54.58 55.13 1nr5 n ASN 358 Cb 0.46 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.04 1nr5 n ASN 358 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nr5 s ASP 359 N -1.00 5.63 1.16 6.41 2.15 -0.59 -4.97 116.67 125.45 1nr5 s ASP 359 Ca 0.72 -2.45 0.00 0.00 0.43 0.00 0.00 52.55 51.25 1nr5 s ASP 359 Cb -0.43 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1nr5 s ASP 359 CO 0.49 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1nr5 n GLY 360 N 4.12 2.39 0.19 2.66 0.00 -1.26 -1.98 105.19 111.32 1nr5 n GLY 360 Ca 0.03 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 13.40 1.26 -3.08 1.61 -0.04 -1.26 -4.81 135.00 142.09 1nr5 n PRO 361 Ca 0.00 -0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 62.66 1nr5 n PRO 361 Cb 0.00 -1.47 -0.06 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 -1.99 3.93 0.37 0.54 1.02 -0.84 -5.05 119.74 117.72 1nr5 s LYS 362 Ca 0.42 0.38 -0.26 0.00 0.02 0.00 0.00 55.97 56.53 1nr5 s LYS 362 Cb 0.20 -3.72 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 1nr5 s LYS 362 CO 0.34 -0.58 1.11 0.15 -0.92 0.00 0.00 175.35 175.44 1nr5 s LYS 363 N 2.67 4.25 -0.06 1.68 1.02 -1.26 -1.54 119.74 126.51 1nr5 s LYS 363 Ca 0.27 1.71 0.02 0.00 0.02 0.00 0.00 55.97 58.00 1nr5 s LYS 363 Cb -0.15 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1nr5 s LYS 363 CO 0.12 -0.11 -0.12 0.15 -0.92 0.00 0.00 175.35 174.47 1nr5 s LYS 364 N -2.13 1.58 0.03 1.68 1.02 -1.26 -1.90 119.74 118.76 1nr5 s LYS 364 Ca 0.54 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.15 1nr5 s LYS 364 Cb -0.28 -1.33 -0.02 0.00 -0.52 0.00 0.00 37.83 35.68 1nr5 s LYS 364 CO 0.35 0.06 -0.10 0.42 -0.92 0.00 0.00 175.35 175.16 1nr5 s ILE 365 N 0.54 0.77 -0.12 2.17 1.01 -0.11 -4.75 121.20 120.70 1nr5 s ILE 365 Ca -0.12 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 1nr5 s ILE 365 Cb -0.14 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1nr5 s ILE 365 CO 0.03 -0.06 1.14 -0.69 0.00 0.00 0.00 174.94 175.36 1nr5 s VAL 366 N -0.79 4.45 -0.19 2.92 1.01 -1.26 -0.48 120.40 126.05 1nr5 s VAL 366 Ca -0.01 1.75 -0.05 0.00 0.00 0.00 0.00 61.98 63.67 1nr5 s VAL 366 Cb -0.07 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1nr5 s VAL 366 CO 0.01 -0.06 -0.01 -0.76 0.00 0.00 0.00 175.10 174.28 1nr5 s LEU 367 N 2.62 3.25 0.10 3.92 1.43 -1.26 -4.77 118.68 123.98 1nr5 s LEU 367 Ca 0.52 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1nr5 s LEU 367 Cb -0.21 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1nr5 s LEU 367 CO 0.17 0.08 0.53 -0.76 0.23 0.00 0.00 176.35 176.60 1nr5 s LEU 368 N 0.91 4.41 -0.03 1.79 1.43 -1.26 0.29 118.68 126.22 1nr5 s LEU 368 Ca 0.01 1.11 0.18 0.00 -1.03 0.00 0.00 54.13 54.40 1nr5 s LEU 368 Cb -0.14 -3.06 -0.28 0.00 0.03 0.00 0.00 46.19 42.73 1nr5 s LEU 368 CO 0.02 0.19 0.39 -1.54 0.23 0.00 0.00 176.35 175.63 1nr5 n SER 369 N 1.21 0.80 -3.51 2.29 3.41 -0.04 -3.97 113.62 113.81 1nr5 n SER 369 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.45 1nr5 n SER 369 Cb 0.52 1.80 -0.02 0.00 -0.26 0.00 0.00 64.21 66.25 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 -3.24 -1.84 0.02 7.33 0.00 -0.90 -4.39 121.76 118.75 1nr5 s ALA 370 Ca -0.07 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1nr5 s ALA 370 Cb 0.12 0.39 -0.08 0.00 0.00 0.00 0.00 23.12 23.55 1nr5 s ALA 370 CO 0.76 -0.68 1.79 0.42 0.00 0.00 0.00 175.76 178.05 1nr5 s ILE 371 N -3.09 3.15 0.00 0.00 1.01 -1.26 -0.49 121.20 120.52 1nr5 s ILE 371 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1nr5 s ILE 371 Cb -0.01 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1nr5 s ILE 371 CO -0.09 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1nr5 n GLY 372 N 4.27 0.71 2.69 6.18 0.00 0.31 -4.19 105.19 115.16 1nr5 n GLY 372 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.64 -0.23 0.51 2.61 2.01 0.36 -4.20 115.64 114.06 1nr5 s THR 373 Ca 0.00 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 1nr5 s THR 373 Cb 0.00 -0.69 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 1nr5 s THR 373 CO 0.00 -0.29 1.07 -2.84 -0.69 0.00 0.00 174.62 171.88 1nr5 s PRO 374 N 2.25 3.60 0.14 4.92 0.02 -1.26 -0.87 135.00 143.80 1nr5 s PRO 374 Ca 0.06 1.45 -0.17 0.00 0.02 0.00 0.00 61.00 62.36 1nr5 s PRO 374 Cb -0.16 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 1nr5 s PRO 374 CO -0.14 -0.61 1.75 -0.92 -0.33 0.00 0.00 177.00 176.75 1nr5 h TYR 375 N 1.37 0.47 -4.01 6.54 3.20 -0.43 -3.41 116.97 120.70 1nr5 h TYR 375 Ca -0.50 -0.01 -0.34 0.00 3.14 0.00 0.00 58.73 61.03 1nr5 h TYR 375 Cb 1.24 -0.15 -0.14 0.00 1.54 0.00 0.00 36.73 39.21 1nr5 h TYR 375 CO 0.55 0.36 -0.60 -1.21 -1.64 0.00 0.00 178.16 175.61 1nr5 s GLU 376 N -5.92 1.41 -0.39 1.82 2.02 -1.26 -4.98 118.70 111.40 1nr5 s GLU 376 Ca -0.13 -1.77 -0.02 0.00 0.02 0.00 0.00 54.97 53.07 1nr5 s GLU 376 Cb 0.10 -0.09 0.22 0.00 0.10 0.00 0.00 34.13 34.45 1nr5 s GLU 376 CO 0.72 -0.36 2.15 0.25 0.02 0.00 0.00 175.26 178.04 1nr5 n THR 377 N -0.45 2.98 -3.80 3.63 -2.24 -1.26 -4.83 114.28 108.31 1nr5 n THR 377 Ca 0.01 -2.05 0.01 0.00 -2.27 0.00 0.00 64.05 59.74 1nr5 n THR 377 Cb 0.66 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.07 0.60 0.38 -0.78 1.70 -1.26 -2.27 118.95 115.26 1nr5 s ARG 378 Ca 0.40 -0.37 -0.22 0.00 -0.47 0.00 0.00 55.73 55.08 1nr5 s ARG 378 Cb 0.30 0.18 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 1nr5 s ARG 378 CO -0.04 -0.28 0.91 0.00 -1.08 0.00 0.00 175.30 174.81 1nr5 s ALA 379 N -2.32 3.14 0.17 7.88 0.00 -1.26 -4.72 121.76 124.65 1nr5 s ALA 379 Ca 0.20 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1nr5 s ALA 379 Cb 0.01 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1nr5 s ALA 379 CO -0.01 0.18 0.19 -1.12 0.00 0.00 0.00 175.76 175.00 1nr5 s SER 380 N -2.01 5.77 0.12 0.00 0.01 0.36 -4.74 113.70 113.21 1nr5 s SER 380 Ca 0.57 -0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.47 1nr5 s SER 380 Cb -0.12 -1.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.46 1nr5 s SER 380 CO 0.17 0.05 1.09 -0.69 0.41 0.00 0.00 173.24 174.27 1nr5 s VAL 381 N -1.79 4.12 -0.03 3.43 1.01 -1.26 -0.94 120.40 124.94 1nr5 s VAL 381 Ca 0.32 1.69 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1nr5 s VAL 381 Cb -0.10 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1nr5 s VAL 381 CO 0.25 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 174.80 1nr5 s VAL 382 N 0.28 0.80 0.50 2.92 1.01 -0.80 -4.94 120.40 120.16 1nr5 s VAL 382 Ca 0.52 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1nr5 s VAL 382 Cb -0.28 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1nr5 s VAL 382 CO 0.32 0.25 1.15 0.00 0.00 0.00 0.00 175.10 176.82 1nr5 s ALA 383 N 0.24 2.85 0.26 5.51 0.00 -1.26 -4.31 121.76 125.05 1nr5 s ALA 383 Ca -0.04 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 1nr5 s ALA 383 Cb -0.09 -3.37 0.35 0.00 0.00 0.00 0.00 23.12 20.01 1nr5 s ALA 383 CO 0.01 -0.70 1.89 -0.91 0.00 0.00 0.00 175.76 176.04 1nr5 h ASN 384 N 1.67 1.03 -0.35 0.00 2.35 -1.97 -2.64 115.58 115.67 1nr5 h ASN 384 Ca -0.50 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.31 1nr5 h ASN 384 Cb 1.25 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.35 1nr5 h ASN 384 CO 0.59 0.68 0.05 1.05 -1.65 0.00 0.00 177.43 178.15 1nr5 h GLU 385 N 1.18 0.16 -0.36 0.81 9.09 -2.00 -0.30 114.58 123.16 1nr5 h GLU 385 Ca 0.40 -0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.75 1nr5 h GLU 385 Cb 0.08 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 1nr5 h GLU 385 CO -0.15 0.10 -0.02 -0.44 0.05 0.00 0.00 179.01 178.56 1nr5 h ASP 386 N 0.16 0.55 -0.50 3.06 3.32 -1.87 -2.47 116.42 118.67 1nr5 h ASP 386 Ca 0.17 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1nr5 h ASP 386 Cb 0.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1nr5 h ASP 386 CO -0.24 0.63 -0.11 0.40 -1.72 0.00 0.00 179.24 178.20 1nr5 h ILE 387 N 0.55 1.27 -0.81 0.35 2.04 -1.01 -3.17 117.51 116.73 1nr5 h ILE 387 Ca 0.11 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1nr5 h ILE 387 Cb 0.38 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1nr5 h ILE 387 CO 0.01 0.44 0.51 0.03 0.00 0.00 0.00 178.15 179.14 1nr5 h ARG 388 N 0.88 1.09 -0.60 2.37 3.08 -0.62 -2.67 114.38 117.90 1nr5 h ARG 388 Ca 0.14 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1nr5 h ARG 388 Cb 0.66 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1nr5 h ARG 388 CO 0.05 0.75 0.33 -0.39 -1.07 0.00 0.00 179.97 179.64 1nr5 h VAL 389 N 1.11 1.18 0.00 2.04 -1.51 -1.47 -0.93 116.25 116.67 1nr5 h VAL 389 Ca 0.29 -0.45 -0.11 0.00 -1.23 0.00 0.00 66.70 65.20 1nr5 h VAL 389 Cb -0.07 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 29.44 1nr5 h VAL 389 CO -0.06 0.20 -0.52 0.58 -1.23 0.00 0.00 177.57 176.55 1nr5 h VAL 390 N 0.83 1.19 0.00 7.19 2.07 -1.53 -3.18 116.25 122.83 1nr5 h VAL 390 Ca 0.21 -1.89 -0.15 0.00 0.82 0.00 0.00 66.70 65.70 1nr5 h VAL 390 Cb 0.02 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1nr5 h VAL 390 CO -0.04 0.51 -1.10 -0.07 0.02 0.00 0.00 177.57 176.89 1nr5 h LEU 391 N 0.00 0.00 -9.36 2.57 3.38 -1.08 -3.46 115.31 107.37 1nr5 h LEU 391 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1nr5 h LEU 391 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1nr5 h LEU 391 CO 0.07 0.55 1.13 0.00 0.09 0.00 0.00 178.44 180.28 1nr5 s ALA 392 N -2.94 3.63 -2.00 1.53 0.00 -0.41 -4.92 121.76 116.65 1nr5 s ALA 392 Ca -0.01 1.19 0.29 0.00 0.00 0.00 0.00 51.96 53.43 1nr5 s ALA 392 Cb 0.08 -3.78 1.72 0.00 0.00 0.00 0.00 23.12 21.15 1nr5 s ALA 392 CO 0.79 -1.40 2.06 -2.30 0.00 0.00 0.00 175.76 174.91