#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr1 s PRO 11 N 0.00 1.25 0.10 0.11 0.02 -1.26 -5.13 135.00 130.10 1nr1 s PRO 11 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 61.00 59.98 1nr1 s PRO 11 Cb 0.00 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1nr1 s PRO 11 CO 0.00 -1.80 -0.07 0.54 -0.33 0.00 0.00 177.00 175.34 1nr1 s ASN 12 N -4.84 4.58 0.58 2.53 4.22 -1.26 -5.00 114.94 115.75 1nr1 s ASN 12 Ca 0.70 -0.33 0.31 0.00 -2.14 0.00 0.00 52.86 51.40 1nr1 s ASN 12 Cb -0.04 -0.94 1.37 0.00 1.28 0.00 0.00 41.25 42.92 1nr1 s ASN 12 CO 0.47 0.18 1.72 2.19 -2.04 0.00 0.00 177.10 179.62 1nr1 h PHE 13 N 3.56 0.00 0.00 1.54 -5.15 -1.98 0.15 116.94 115.06 1nr1 h PHE 13 Ca -0.49 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.24 1nr1 h PHE 13 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.33 1nr1 h PHE 13 CO 0.60 0.00 -0.20 0.35 -2.00 0.00 0.00 178.31 177.06 1nr1 h PHE 14 N 0.00 0.00 -0.01 6.09 3.57 -1.95 0.57 116.94 125.22 1nr1 h PHE 14 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1nr1 h PHE 14 Cb 1.90 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.64 1nr1 h PHE 14 CO 0.00 0.20 -0.11 1.63 -2.23 0.00 0.00 178.31 177.80 1nr1 n LYS 15 N -3.47 1.29 -0.11 1.11 4.76 0.40 -3.76 118.16 118.39 1nr1 n LYS 15 Ca -0.00 -0.89 -0.15 0.00 -2.87 0.00 0.00 58.31 54.39 1nr1 n LYS 15 Cb 0.37 -1.15 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 1nr1 n LYS 15 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1nr1 n MET 16 N 0.19 0.65 0.06 1.97 2.81 -0.47 -3.21 117.12 119.13 1nr1 n MET 16 Ca 0.05 0.11 -0.06 0.00 -1.81 0.00 0.00 57.70 55.99 1nr1 n MET 16 Cb 0.25 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.18 1nr1 n MET 16 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1nr1 h VAL 17 N 0.00 1.63 -0.36 2.03 2.07 -0.09 -1.92 116.25 119.61 1nr1 h VAL 17 Ca -0.52 -3.31 -0.13 0.00 0.82 0.00 0.00 66.70 63.55 1nr1 h VAL 17 Cb 1.87 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 34.43 1nr1 h VAL 17 CO -0.06 0.93 -0.31 -0.08 0.02 0.00 0.00 177.57 178.06 1nr1 h GLU 18 N 0.00 0.78 0.00 1.57 4.81 -1.68 -1.89 114.58 118.17 1nr1 h GLU 18 Ca -0.02 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1nr1 h GLU 18 Cb 1.75 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 1nr1 h GLU 18 CO 0.12 0.99 -0.40 0.78 -0.73 0.00 0.00 179.01 179.77 1nr1 h GLY 19 N 0.93 0.00 1.37 1.92 0.00 -1.49 -1.71 103.07 104.10 1nr1 h GLY 19 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1nr1 h GLY 19 CO 0.07 0.00 -0.75 0.74 0.00 0.00 0.00 176.54 176.60 1nr1 h PHE 20 N 0.00 0.83 0.04 5.60 0.05 -1.02 -1.89 116.94 120.54 1nr1 h PHE 20 Ca -0.00 -0.36 -0.00 0.00 3.82 0.00 0.00 57.97 61.42 1nr1 h PHE 20 Cb 0.90 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.72 1nr1 h PHE 20 CO 0.00 1.16 -0.02 0.35 -0.18 0.00 0.00 178.31 179.62 1nr1 h PHE 21 N 0.42 -0.05 -0.18 -0.55 3.57 -1.18 -2.57 116.94 116.41 1nr1 h PHE 21 Ca -0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1nr1 h PHE 21 Cb 1.35 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 1nr1 h PHE 21 CO 0.07 -0.03 -0.11 -0.25 -2.23 0.00 0.00 178.31 175.76 1nr1 n ASP 22 N -2.17 -0.19 -0.37 0.41 8.00 -0.66 0.78 116.55 122.36 1nr1 n ASP 22 Ca -0.01 1.02 -0.08 0.00 0.71 0.00 0.00 54.79 56.43 1nr1 n ASP 22 Cb 0.02 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 1nr1 n ASP 22 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1nr1 n ARG 23 N -3.33 -0.36 0.01 -1.24 0.63 -0.71 0.20 116.66 111.86 1nr1 n ARG 23 Ca 0.00 1.34 -0.02 0.00 -0.92 0.00 0.00 57.85 58.26 1nr1 n ARG 23 Cb 0.05 -1.98 0.25 0.00 0.45 0.00 0.00 32.46 31.23 1nr1 n ARG 23 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1nr1 h GLY 24 N 0.00 0.52 2.00 5.14 0.00 -0.54 -2.81 103.07 107.38 1nr1 h GLY 24 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1nr1 h GLY 24 CO -0.84 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.04 1nr1 h ALA 25 N 1.40 1.00 0.00 3.60 0.00 0.47 -0.26 119.26 125.48 1nr1 h ALA 25 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1nr1 h ALA 25 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nr1 h ALA 25 CO 0.03 0.00 -0.60 0.66 0.00 0.00 0.00 179.25 179.35 1nr1 h SER 26 N 0.00 0.00 -0.74 0.00 4.64 -1.00 -3.16 113.55 113.29 1nr1 h SER 26 Ca 0.00 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 1nr1 h SER 26 Cb 0.30 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.30 1nr1 h SER 26 CO 0.00 0.98 -0.44 -0.38 -0.87 0.00 0.00 176.83 176.12 1nr1 n ILE 27 N -4.59 -0.50 -0.14 0.95 5.41 -1.07 0.21 119.36 119.63 1nr1 n ILE 27 Ca -0.14 2.06 -0.13 0.00 1.00 0.00 0.00 62.75 65.53 1nr1 n ILE 27 Cb 0.38 -2.57 -0.09 0.00 -0.71 0.00 0.00 39.64 36.65 1nr1 n ILE 27 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1nr1 h VAL 28 N 0.00 0.00 -0.23 1.39 2.07 -1.22 -3.11 116.25 115.15 1nr1 h VAL 28 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1nr1 h VAL 28 Cb 0.30 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1nr1 h VAL 28 CO -0.70 0.00 -0.14 1.21 0.02 0.00 0.00 177.57 177.97 1nr1 n GLU 29 N -5.21 -0.10 0.10 1.57 2.13 0.13 -0.49 120.64 118.77 1nr1 n GLU 29 Ca -0.03 0.62 -0.15 0.00 0.66 0.00 0.00 57.16 58.26 1nr1 n GLU 29 Cb 0.32 -0.92 -0.09 0.00 0.27 0.00 0.00 31.44 31.02 1nr1 n GLU 29 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nr1 h ASP 30 N 0.00 -1.45 0.92 4.31 3.32 -1.51 0.84 116.42 122.86 1nr1 h ASP 30 Ca 0.04 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1nr1 h ASP 30 Cb 0.10 0.54 0.01 0.00 0.22 0.00 0.00 39.33 40.20 1nr1 h ASP 30 CO -0.22 -0.53 -0.44 0.11 -1.72 0.00 0.00 179.24 176.44 1nr1 h LYS 31 N -0.70 -1.19 -1.09 3.56 1.79 -1.48 -2.48 116.57 114.98 1nr1 h LYS 31 Ca 0.01 0.08 0.41 0.00 -2.18 0.00 0.00 60.65 58.97 1nr1 h LYS 31 Cb 0.72 0.27 -0.16 0.00 -1.58 0.00 0.00 32.23 31.48 1nr1 h LYS 31 CO -0.28 -0.80 0.63 1.25 -1.08 0.00 0.00 179.45 179.17 1nr1 h LEU 32 N -1.25 0.33 0.00 2.94 5.85 -0.64 -1.92 115.31 120.62 1nr1 h LEU 32 Ca -0.13 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1nr1 h LEU 32 Cb 0.95 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1nr1 h LEU 32 CO 0.21 -0.32 0.00 0.52 -0.34 0.00 0.00 178.44 178.50 1nr1 n VAL 33 N -5.08 0.00 0.00 1.05 0.31 0.27 -3.96 118.33 110.93 1nr1 n VAL 33 Ca 0.37 0.50 0.00 0.00 -0.01 0.00 0.00 64.34 65.20 1nr1 n VAL 33 Cb 1.29 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1nr1 n VAL 33 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1nr1 n GLU 34 N -0.27 0.74 0.00 5.55 0.28 -0.72 -1.21 120.64 125.01 1nr1 n GLU 34 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1nr1 n GLU 34 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1nr1 n GLU 34 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1nr1 n ASP 35 N -0.96 0.00 0.01 -1.84 3.85 -1.26 -2.80 116.55 113.56 1nr1 n ASP 35 Ca 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 53.96 1nr1 n ASP 35 Cb 0.00 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 1nr1 n ASP 35 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1nr1 h LEU 36 N 0.00 0.04 -0.13 -2.12 5.85 -1.74 -3.40 115.31 113.81 1nr1 h LEU 36 Ca 0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1nr1 h LEU 36 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1nr1 h LEU 36 CO 0.00 0.18 0.00 -2.11 -0.34 0.00 0.00 178.44 176.17 1nr1 n ARG 37 N -4.99 2.02 0.00 1.25 -4.01 -1.12 -4.74 116.66 105.07 1nr1 n ARG 37 Ca -0.07 -0.06 0.09 0.00 -1.04 0.00 0.00 57.85 56.76 1nr1 n ARG 37 Cb 0.10 -0.36 0.50 0.00 -3.04 0.00 0.00 32.46 29.67 1nr1 n ARG 37 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 1nr1 n THR 38 N -0.31 0.09 -0.31 8.89 -1.04 -0.35 -2.91 114.28 118.34 1nr1 n THR 38 Ca 0.00 0.02 0.14 0.00 -2.04 0.00 0.00 64.05 62.17 1nr1 n THR 38 Cb 0.04 -0.75 0.32 0.00 -1.82 0.00 0.00 70.33 68.12 1nr1 n THR 38 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nr1 h ARG 39 N 0.00 0.39 -2.12 -2.82 3.08 -1.85 -0.75 114.38 110.31 1nr1 h ARG 39 Ca 0.00 -0.02 -0.68 0.00 0.07 0.00 0.00 59.98 59.34 1nr1 h ARG 39 Cb 0.03 -0.09 -0.35 0.00 0.08 0.00 0.00 29.97 29.64 1nr1 h ARG 39 CO 0.00 0.26 0.11 -0.85 -1.07 0.00 0.00 179.97 178.42 1nr1 n GLU 40 N -5.04 3.93 -2.07 0.04 0.28 -1.15 -5.01 120.64 111.63 1nr1 n GLU 40 Ca 0.23 -4.58 -0.38 0.00 -0.16 0.00 0.00 57.16 52.27 1nr1 n GLU 40 Cb 0.67 -2.32 -0.03 0.00 1.43 0.00 0.00 31.44 31.19 1nr1 n GLU 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1nr1 s SER 41 N -2.49 5.31 -0.32 -1.84 1.04 -0.29 -4.93 113.70 110.17 1nr1 s SER 41 Ca 0.46 0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 1nr1 s SER 41 Cb 0.29 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1nr1 s SER 41 CO -0.18 -2.37 0.36 -1.61 0.98 0.00 0.00 173.24 170.42 1nr1 s GLU 42 N 6.98 3.69 0.00 4.02 2.02 -1.26 -4.15 118.70 130.00 1nr1 s GLU 42 Ca 0.66 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1nr1 s GLU 42 Cb -0.12 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.35 1nr1 s GLU 42 CO 0.19 -0.45 0.00 0.39 0.02 0.00 0.00 175.26 175.41 1nr1 n GLU 43 N 5.37 0.00 -2.16 1.61 -0.58 -1.26 -3.29 120.64 120.33 1nr1 n GLU 43 Ca -0.09 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 1nr1 n GLU 43 Cb 0.50 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 30.17 1nr1 n GLU 43 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1nr1 n GLN 44 N -1.98 -1.05 -0.08 3.49 -0.06 -1.26 -4.84 117.38 111.61 1nr1 n GLN 44 Ca 0.00 0.68 0.11 0.00 -2.00 0.00 0.00 57.00 55.79 1nr1 n GLN 44 Cb 0.00 -4.90 0.35 0.00 -4.06 0.00 0.00 30.24 21.63 1nr1 n GLN 44 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1nr1 n LYS 45 N -2.31 1.89 0.09 3.69 5.02 -1.21 -4.09 118.16 121.24 1nr1 n LYS 45 Ca -0.16 -1.33 0.20 0.00 -2.02 0.00 0.00 58.31 55.01 1nr1 n LYS 45 Cb 0.60 -1.43 0.75 0.00 -0.02 0.00 0.00 35.03 34.93 1nr1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr1 h ARG 46 N 2.80 0.00 0.00 1.97 2.47 -1.88 1.84 114.38 121.58 1nr1 h ARG 46 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1nr1 h ARG 46 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1nr1 h ARG 46 CO 0.00 0.00 0.00 -0.97 0.56 0.00 0.00 179.97 179.56 1nr1 h ASN 47 N 0.00 0.00 0.88 7.04 -1.24 -1.98 -3.01 115.58 117.26 1nr1 h ASN 47 Ca 0.19 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 1nr1 h ASN 47 Cb 1.02 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.07 1nr1 h ASN 47 CO -0.00 0.00 -1.12 -1.14 -1.29 0.00 0.00 177.43 173.87 1nr1 n ARG 48 N -2.40 0.61 -0.05 6.67 0.63 0.62 -3.56 116.66 119.17 1nr1 n ARG 48 Ca 0.04 0.09 0.05 0.00 -0.92 0.00 0.00 57.85 57.11 1nr1 n ARG 48 Cb 0.39 -1.79 0.23 0.00 0.45 0.00 0.00 32.46 31.74 1nr1 n ARG 48 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1nr1 n VAL 49 N -2.63 0.14 1.82 5.15 3.14 -0.90 -2.58 118.33 122.47 1nr1 n VAL 49 Ca -0.01 -0.16 0.12 0.00 -2.96 0.00 0.00 64.34 61.33 1nr1 n VAL 49 Cb 0.56 0.04 0.66 0.00 -1.06 0.00 0.00 33.84 34.03 1nr1 n VAL 49 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nr1 n ARG 50 N -0.20 1.20 0.12 1.45 -4.01 -1.23 -3.39 116.66 110.59 1nr1 n ARG 50 Ca 0.09 -0.29 0.08 0.00 -1.04 0.00 0.00 57.85 56.69 1nr1 n ARG 50 Cb 0.14 -1.40 0.43 0.00 -3.04 0.00 0.00 32.46 28.59 1nr1 n ARG 50 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1nr1 n GLY 51 N 0.96 -0.84 0.30 2.89 0.00 -1.07 -1.57 105.19 105.88 1nr1 n GLY 51 Ca 0.18 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1nr1 n GLY 51 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nr1 h ILE 52 N 0.00 0.39 -0.26 -0.61 2.04 -1.86 -2.19 117.51 115.02 1nr1 h ILE 52 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1nr1 h ILE 52 Cb 0.05 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1nr1 h ILE 52 CO 0.00 0.00 -0.54 -0.07 0.00 0.00 0.00 178.15 177.54 1nr1 h LEU 53 N -0.46 -1.76 0.00 1.44 3.38 -1.60 0.32 115.31 116.63 1nr1 h LEU 53 Ca 0.04 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1nr1 h LEU 53 Cb 0.51 0.71 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1nr1 h LEU 53 CO -0.19 -0.45 0.01 -2.11 0.09 0.00 0.00 178.44 175.79 1nr1 n ARG 54 N -5.41 0.00 0.00 1.13 1.85 -0.95 -0.35 116.66 112.93 1nr1 n ARG 54 Ca -0.05 0.44 -0.19 0.00 -1.00 0.00 0.00 57.85 57.05 1nr1 n ARG 54 Cb 0.36 -1.51 -0.14 0.00 -1.05 0.00 0.00 32.46 30.12 1nr1 n ARG 54 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1nr1 n ILE 55 N -1.44 1.76 -0.05 8.89 5.41 0.92 -4.36 119.36 130.48 1nr1 n ILE 55 Ca 0.00 -0.68 -0.11 0.00 1.00 0.00 0.00 62.75 62.96 1nr1 n ILE 55 Cb 0.01 -1.62 -0.04 0.00 -0.71 0.00 0.00 39.64 37.28 1nr1 n ILE 55 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1nr1 h ILE 56 N 0.06 1.14 -0.27 1.39 2.04 0.14 -3.34 117.51 118.67 1nr1 h ILE 56 Ca -0.40 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.12 1nr1 h ILE 56 Cb 2.03 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 39.08 1nr1 h ILE 56 CO 0.09 0.14 -0.30 0.50 0.00 0.00 0.00 178.15 178.58 1nr1 h LYS 57 N 0.19 -0.28 -6.24 2.37 3.64 -1.51 -3.43 116.57 111.31 1nr1 h LYS 57 Ca 0.07 0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.91 1nr1 h LYS 57 Cb 0.13 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1nr1 h LYS 57 CO -0.01 -0.19 1.04 -1.25 -2.27 0.00 0.00 179.45 176.78 1nr1 s PRO 58 N -6.03 4.04 -0.12 1.90 0.04 -1.26 -4.98 135.00 128.61 1nr1 s PRO 58 Ca -0.15 1.80 -0.36 0.00 0.04 0.00 0.00 61.00 62.34 1nr1 s PRO 58 Cb 0.12 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.60 1nr1 s PRO 58 CO 0.67 -0.98 1.83 0.00 0.04 0.00 0.00 177.00 178.56 1nr1 h ASN 60 N 8.51 0.10 -3.64 0.00 4.21 -0.94 -3.46 115.58 120.36 1nr1 h ASN 60 Ca -0.48 -0.04 -0.30 0.00 1.21 0.00 0.00 56.30 56.69 1nr1 h ASN 60 Cb 1.28 -0.02 -0.31 0.00 -1.12 0.00 0.00 38.32 38.15 1nr1 h ASN 60 CO 0.95 0.11 -0.74 -1.00 -1.29 0.00 0.00 177.43 175.46 1nr1 s HIS 61 N -6.04 0.22 -0.03 1.19 3.76 -0.94 -5.03 115.29 108.43 1nr1 s HIS 61 Ca -0.13 -0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 1nr1 s HIS 61 Cb 0.07 -0.26 0.01 0.00 1.11 0.00 0.00 32.58 33.51 1nr1 s HIS 61 CO 0.68 -0.06 -0.06 0.54 -0.85 0.00 0.00 174.74 174.98 1nr1 s VAL 62 N 0.52 0.59 -0.20 -0.90 0.11 -1.26 0.02 120.40 119.28 1nr1 s VAL 62 Ca -0.05 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1nr1 s VAL 62 Cb -0.08 -0.57 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1nr1 s VAL 62 CO -0.01 0.21 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.58 1nr1 s LEU 63 N 0.48 2.51 -0.21 2.54 2.96 0.14 -5.01 118.68 122.09 1nr1 s LEU 63 Ca -0.07 -0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 1nr1 s LEU 63 Cb -0.10 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1nr1 s LEU 63 CO 0.00 -0.05 0.09 -0.44 -1.32 0.00 0.00 176.35 174.63 1nr1 s SER 64 N 1.25 5.60 0.50 3.68 0.01 -1.26 -1.47 113.70 122.01 1nr1 s SER 64 Ca 0.01 0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.35 1nr1 s SER 64 Cb -0.15 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1nr1 s SER 64 CO -0.10 0.10 0.35 -0.76 0.41 0.00 0.00 173.24 173.23 1nr1 s LEU 65 N 0.84 2.90 -0.30 2.44 1.43 0.16 -4.96 118.68 121.19 1nr1 s LEU 65 Ca 0.04 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 1nr1 s LEU 65 Cb -0.13 -1.40 0.13 0.00 0.03 0.00 0.00 46.19 44.82 1nr1 s LEU 65 CO 0.02 -0.91 0.65 -0.44 0.23 0.00 0.00 176.35 175.90 1nr1 s SER 66 N -4.18 -1.13 0.07 2.29 0.01 -1.24 -2.94 113.70 106.58 1nr1 s SER 66 Ca 0.37 1.57 -0.13 0.00 1.31 0.00 0.00 55.95 59.08 1nr1 s SER 66 Cb -0.01 2.22 0.02 0.00 0.21 0.00 0.00 66.02 68.45 1nr1 s SER 66 CO 0.22 -0.22 0.30 0.72 0.41 0.00 0.00 173.24 174.67 1nr1 s PHE 67 N 2.77 -0.07 0.20 2.43 -0.12 0.56 -4.95 117.98 118.80 1nr1 s PHE 67 Ca -0.06 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 56.72 1nr1 s PHE 67 Cb -0.11 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 1nr1 s PHE 67 CO -0.19 -0.56 -0.04 -1.25 -0.05 0.00 0.00 175.22 173.13 1nr1 s PRO 68 N -3.18 2.25 0.10 1.99 0.04 -1.26 0.07 135.00 135.00 1nr1 s PRO 68 Ca -0.01 -1.24 0.04 0.00 0.04 0.00 0.00 61.00 59.83 1nr1 s PRO 68 Cb 0.01 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1nr1 s PRO 68 CO -0.07 0.43 -0.10 0.96 0.04 0.00 0.00 177.00 178.25 1nr1 s ILE 69 N -1.86 0.96 -0.34 0.56 -4.36 -0.10 -4.96 121.20 111.10 1nr1 s ILE 69 Ca 0.27 -1.65 -0.14 0.00 -0.26 0.00 0.00 60.65 58.87 1nr1 s ILE 69 Cb -0.08 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.23 1nr1 s ILE 69 CO 0.18 -0.56 0.30 -0.60 0.24 0.00 0.00 174.94 174.50 1nr1 s ARG 70 N -2.81 3.55 0.52 0.37 3.52 -1.26 -1.55 118.95 121.30 1nr1 s ARG 70 Ca 0.06 -0.51 -0.19 0.00 -0.13 0.00 0.00 55.73 54.96 1nr1 s ARG 70 Cb -0.03 -3.80 -0.07 0.00 -1.56 0.00 0.00 34.95 29.50 1nr1 s ARG 70 CO 0.00 -0.47 1.07 1.03 -0.81 0.00 0.00 175.30 176.12 1nr1 s ARG 71 N 1.88 3.56 0.50 5.12 0.52 -0.59 -4.90 118.95 125.04 1nr1 s ARG 71 Ca 0.09 1.43 0.39 0.00 -0.52 0.00 0.00 55.73 57.13 1nr1 s ARG 71 Cb -0.17 -2.05 1.57 0.00 0.52 0.00 0.00 34.95 34.82 1nr1 s ARG 71 CO 0.11 -0.64 1.62 -0.44 0.02 0.00 0.00 175.30 175.97 1nr1 h ASP 72 N 1.27 0.12 0.13 0.23 5.19 -1.96 0.14 116.42 121.54 1nr1 h ASP 72 Ca -0.49 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 55.89 1nr1 h ASP 72 Cb 1.24 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1nr1 h ASP 72 CO 0.58 -0.10 -0.35 -2.24 -3.12 0.00 0.00 179.24 174.02 1nr1 h ASP 73 N 0.04 0.32 0.00 6.45 3.04 -2.04 -3.46 116.42 120.77 1nr1 h ASP 73 Ca 0.85 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 54.52 1nr1 h ASP 73 Cb 3.05 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 41.25 1nr1 h ASP 73 CO -0.22 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 178.25 1nr1 n GLY 74 N -0.28 0.97 3.77 7.15 0.00 0.48 -5.13 105.19 112.15 1nr1 n GLY 74 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1nr1 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nr1 s SER 75 N -1.03 2.39 0.15 1.61 1.04 -1.24 -4.79 113.70 111.82 1nr1 s SER 75 Ca 0.00 0.56 0.10 0.00 0.48 0.00 0.00 55.95 57.09 1nr1 s SER 75 Cb 0.00 -0.80 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 1nr1 s SER 75 CO 0.00 -3.21 -0.18 0.26 0.98 0.00 0.00 173.24 171.09 1nr1 s TRP 76 N -3.42 2.49 -0.16 5.02 0.51 -1.26 -1.54 118.94 120.58 1nr1 s TRP 76 Ca 0.70 -0.28 -0.14 0.00 -2.12 0.00 0.00 56.10 54.26 1nr1 s TRP 76 Cb -0.08 -1.29 0.04 0.00 -0.81 0.00 0.00 33.47 31.33 1nr1 s TRP 76 CO 0.54 0.43 0.41 -2.00 -0.51 0.00 0.00 176.95 175.82 1nr1 s GLU 77 N -2.38 0.48 -0.30 4.98 2.12 -0.59 -4.89 118.70 118.11 1nr1 s GLU 77 Ca 0.19 0.58 -0.06 0.00 0.36 0.00 0.00 54.97 56.05 1nr1 s GLU 77 Cb -0.10 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.54 1nr1 s GLU 77 CO 0.11 -0.06 0.07 0.14 -0.54 0.00 0.00 175.26 174.98 1nr1 s VAL 78 N 0.28 3.78 0.40 3.70 -7.23 -1.26 -0.92 120.40 119.14 1nr1 s VAL 78 Ca -0.01 -0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 1nr1 s VAL 78 Cb -0.03 -3.01 -0.11 0.00 0.56 0.00 0.00 36.38 33.79 1nr1 s VAL 78 CO -0.00 0.00 0.93 -0.63 -0.31 0.00 0.00 175.10 175.09 1nr1 s ILE 79 N 1.45 4.38 -0.01 -0.62 -1.09 0.11 -4.76 121.20 120.66 1nr1 s ILE 79 Ca 0.01 1.51 0.08 0.00 -2.23 0.00 0.00 60.65 60.02 1nr1 s ILE 79 Cb -0.18 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1nr1 s ILE 79 CO 0.02 -0.23 -0.26 -1.83 -1.23 0.00 0.00 174.94 171.41 1nr1 s GLU 80 N -2.96 2.04 0.27 2.79 -1.05 -1.26 -0.33 118.70 118.20 1nr1 s GLU 80 Ca 0.59 -0.95 -0.09 0.00 -0.15 0.00 0.00 54.97 54.37 1nr1 s GLU 80 Cb -0.11 -2.01 -0.01 0.00 -0.44 0.00 0.00 34.13 31.57 1nr1 s GLU 80 CO 0.15 0.55 0.44 0.20 0.95 0.00 0.00 175.26 177.55 1nr1 s GLY 81 N -0.71 0.87 0.01 -3.83 0.00 -1.15 -1.73 107.32 100.79 1nr1 s GLY 81 Ca 0.10 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1nr1 s GLY 81 CO -0.00 -0.81 0.22 -0.19 0.00 0.00 0.00 173.10 172.32 1nr1 s TYR 82 N -3.76 -0.03 -0.09 1.90 1.51 0.12 0.39 117.35 117.40 1nr1 s TYR 82 Ca 0.26 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1nr1 s TYR 82 Cb 0.00 0.01 0.03 0.00 -0.11 0.00 0.00 41.96 41.90 1nr1 s TYR 82 CO 0.12 -0.38 0.21 0.50 -1.11 0.00 0.00 175.55 174.89 1nr1 s ARG 83 N -1.87 0.20 0.00 -0.62 6.06 -0.54 0.33 118.95 122.51 1nr1 s ARG 83 Ca -0.10 0.40 0.04 0.00 -2.50 0.00 0.00 55.73 53.57 1nr1 s ARG 83 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 34.95 34.91 1nr1 s ARG 83 CO 0.00 -0.11 -0.13 0.00 -2.50 0.00 0.00 175.30 172.56 1nr1 s ALA 84 N 0.80 1.07 -0.24 6.12 0.00 0.14 -0.69 121.76 128.96 1nr1 s ALA 84 Ca -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1nr1 s ALA 84 Cb -0.07 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.85 1nr1 s ALA 84 CO -0.05 0.25 -0.13 -0.65 0.00 0.00 0.00 175.76 175.18 1nr1 s GLN 85 N -0.50 2.44 0.01 0.00 -0.21 0.10 -1.11 119.66 120.40 1nr1 s GLN 85 Ca 0.04 -1.21 -0.25 0.00 0.02 0.00 0.00 55.36 53.96 1nr1 s GLN 85 Cb -0.06 -2.81 -0.15 0.00 1.00 0.00 0.00 33.01 31.00 1nr1 s GLN 85 CO -0.00 -0.47 1.11 1.25 -2.12 0.00 0.00 175.29 175.06 1nr1 h HIS 86 N 7.82 -0.65 -4.01 0.91 -0.00 0.86 -2.42 115.15 117.65 1nr1 h HIS 86 Ca -0.26 -0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 59.92 1nr1 h HIS 86 Cb 1.07 0.21 -0.20 0.00 -0.00 0.00 0.00 27.41 28.49 1nr1 h HIS 86 CO 0.59 -0.32 -0.70 0.45 -0.00 0.00 0.00 177.93 177.95 1nr1 s SER 87 N -4.76 0.31 -0.19 3.26 0.15 -1.21 -1.35 113.70 109.91 1nr1 s SER 87 Ca -0.14 -0.57 0.12 0.00 0.70 0.00 0.00 55.95 56.07 1nr1 s SER 87 Cb 0.02 0.11 0.41 0.00 -1.71 0.00 0.00 66.02 64.85 1nr1 s SER 87 CO 0.46 -0.34 1.21 0.00 1.20 0.00 0.00 173.24 175.77 1nr1 n GLN 88 N 1.39 1.45 0.24 5.44 3.00 -1.26 -3.67 117.38 123.96 1nr1 n GLN 88 Ca -0.23 -3.17 0.16 0.00 -0.01 0.00 0.00 57.00 53.75 1nr1 n GLN 88 Cb 0.56 -1.48 0.61 0.00 0.00 0.00 0.00 30.24 29.92 1nr1 n GLN 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 1nr1 h HIS 89 N 0.96 0.00 -4.18 1.08 2.07 -1.95 -3.39 115.15 109.74 1nr1 h HIS 89 Ca -0.02 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 56.81 1nr1 h HIS 89 Cb 1.07 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 30.78 1nr1 h HIS 89 CO 0.68 0.00 -0.84 0.50 -3.07 0.00 0.00 177.93 175.20 1nr1 s ARG 90 N -3.54 2.44 0.00 5.12 6.06 -1.26 -5.01 118.95 122.75 1nr1 s ARG 90 Ca 0.02 -0.82 0.00 0.00 -2.50 0.00 0.00 55.73 52.43 1nr1 s ARG 90 Cb 0.09 -2.23 0.00 0.00 0.06 0.00 0.00 34.95 32.87 1nr1 s ARG 90 CO 0.52 0.52 0.30 0.25 -2.50 0.00 0.00 175.30 174.38 1nr1 n THR 91 N 2.58 0.00 -1.98 4.11 -2.24 -1.26 -3.52 114.28 111.97 1nr1 n THR 91 Ca -0.17 0.80 -0.42 0.00 -2.27 0.00 0.00 64.05 61.99 1nr1 n THR 91 Cb 0.52 -1.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 1nr1 n THR 91 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1nr1 s PRO 92 N -0.59 4.24 0.35 -0.78 0.02 -1.26 -4.61 135.00 132.37 1nr1 s PRO 92 Ca 0.00 2.32 -0.21 0.00 0.02 0.00 0.00 61.00 63.13 1nr1 s PRO 92 Cb 0.00 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.29 1nr1 s PRO 92 CO 0.00 -0.50 0.88 0.00 -0.33 0.00 0.00 177.00 177.04 1nr1 s LYS 94 N -2.61 1.30 0.00 0.00 2.47 0.51 -0.33 119.74 121.08 1nr1 s LYS 94 Ca 0.54 -1.28 0.00 0.00 -1.56 0.00 0.00 55.97 53.67 1nr1 s LYS 94 Cb -0.13 -1.72 0.00 0.00 -1.46 0.00 0.00 37.83 34.52 1nr1 s LYS 94 CO 0.18 0.40 0.00 0.41 0.16 0.00 0.00 175.35 176.51 1nr1 n GLY 95 N 0.97 2.25 3.95 5.54 0.00 -1.07 -0.74 105.19 116.10 1nr1 n GLY 95 Ca -0.19 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1nr1 n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nr1 s GLY 96 N 0.00 1.74 -0.21 -0.02 0.00 -1.26 -0.26 107.32 107.32 1nr1 s GLY 96 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1nr1 s GLY 96 CO 0.00 -0.77 -0.16 -0.42 0.00 0.00 0.00 173.10 171.75 1nr1 s ILE 97 N -3.25 2.03 -0.09 0.90 -1.09 0.43 -1.67 121.20 118.46 1nr1 s ILE 97 Ca 0.64 -1.18 -0.08 0.00 -2.23 0.00 0.00 60.65 57.80 1nr1 s ILE 97 Cb -0.08 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 1nr1 s ILE 97 CO 0.45 0.30 0.19 -0.60 -1.23 0.00 0.00 174.94 174.05 1nr1 s ARG 98 N 1.24 3.53 -0.62 2.79 6.06 0.17 -3.67 118.95 128.45 1nr1 s ARG 98 Ca -0.01 -0.03 0.04 0.00 -2.50 0.00 0.00 55.73 53.24 1nr1 s ARG 98 Cb -0.16 -3.19 0.16 0.00 0.06 0.00 0.00 34.95 31.82 1nr1 s ARG 98 CO -0.10 0.76 0.42 0.71 -2.50 0.00 0.00 175.30 174.59 1nr1 s TYR 99 N -1.05 3.07 0.24 5.12 4.12 -1.26 0.35 117.35 127.93 1nr1 s TYR 99 Ca 0.17 -3.12 0.01 0.00 0.02 0.00 0.00 57.07 54.15 1nr1 s TYR 99 Cb -0.13 -2.42 -0.04 0.00 -1.52 0.00 0.00 41.96 37.85 1nr1 s TYR 99 CO 0.06 -0.63 0.13 -1.12 0.02 0.00 0.00 175.55 174.02 1nr1 s SER 100 N -0.97 0.72 0.00 2.29 0.01 -0.70 -4.45 113.70 110.60 1nr1 s SER 100 Ca 0.24 -1.42 0.25 0.00 1.31 0.00 0.00 55.95 56.32 1nr1 s SER 100 Cb -0.08 0.32 0.33 0.00 0.21 0.00 0.00 66.02 66.81 1nr1 s SER 100 CO -0.14 -0.82 1.33 0.41 0.41 0.00 0.00 173.24 174.44 1nr1 n THR 101 N -0.39 0.00 -0.12 1.44 -1.04 -1.23 -0.09 114.28 112.85 1nr1 n THR 101 Ca 0.02 -0.41 0.07 0.00 -2.04 0.00 0.00 64.05 61.68 1nr1 n THR 101 Cb 0.66 1.26 0.18 0.00 -1.82 0.00 0.00 70.33 70.60 1nr1 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1nr1 n ASP 102 N 0.91 3.04 -4.67 8.00 5.68 -1.26 -4.89 116.55 123.36 1nr1 n ASP 102 Ca 0.14 -1.95 -0.32 0.00 -0.50 0.00 0.00 54.79 52.16 1nr1 n ASP 102 Cb 0.53 -0.25 0.15 0.00 -1.14 0.00 0.00 41.12 40.41 1nr1 n ASP 102 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1nr1 n VAL 103 N 0.77 0.91 -3.59 2.12 0.24 -1.26 -5.01 118.33 112.51 1nr1 n VAL 103 Ca 0.14 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.34 62.19 1nr1 n VAL 103 Cb 0.46 -1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 31.69 1nr1 n VAL 103 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1nr1 s SER 104 N -2.38 -0.65 0.32 -1.34 1.04 -1.26 -4.94 113.70 104.49 1nr1 s SER 104 Ca 0.69 1.06 0.09 0.00 0.48 0.00 0.00 55.95 58.27 1nr1 s SER 104 Cb -0.26 1.01 0.90 0.00 0.10 0.00 0.00 66.02 67.78 1nr1 s SER 104 CO 0.55 -0.35 1.66 0.58 0.98 0.00 0.00 173.24 176.67 1nr1 h VAL 105 N 3.53 0.34 -0.14 5.02 2.07 -1.99 0.58 116.25 125.65 1nr1 h VAL 105 Ca -0.27 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1nr1 h VAL 105 Cb 1.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1nr1 h VAL 105 CO 0.18 0.06 -0.25 0.44 0.02 0.00 0.00 177.57 178.02 1nr1 h ASP 106 N 0.31 0.25 0.05 0.57 5.19 -1.98 0.26 116.42 121.07 1nr1 h ASP 106 Ca 0.65 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1nr1 h ASP 106 Cb 1.38 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1nr1 h ASP 106 CO -0.61 0.51 -0.02 -0.08 -3.12 0.00 0.00 179.24 175.91 1nr1 h GLU 107 N 0.23 -0.06 0.31 3.56 4.81 -0.28 -2.09 114.58 121.06 1nr1 h GLU 107 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1nr1 h GLU 107 Cb 0.57 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1nr1 h GLU 107 CO 0.04 0.37 -0.15 -0.39 -0.73 0.00 0.00 179.01 178.15 1nr1 h VAL 108 N -0.51 0.72 -0.87 0.32 -1.51 -1.05 -1.45 116.25 111.90 1nr1 h VAL 108 Ca -0.01 -0.34 0.08 0.00 -1.23 0.00 0.00 66.70 65.21 1nr1 h VAL 108 Cb 0.46 0.91 -0.10 0.00 -2.13 0.00 0.00 31.29 30.42 1nr1 h VAL 108 CO 0.01 0.07 -0.50 0.29 -1.23 0.00 0.00 177.57 176.21 1nr1 n LYS 109 N -5.19 -0.37 0.08 5.19 5.02 0.91 -0.23 118.16 123.56 1nr1 n LYS 109 Ca -0.10 1.31 -0.12 0.00 -2.02 0.00 0.00 58.31 57.38 1nr1 n LYS 109 Cb 0.23 -1.92 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 1nr1 n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr1 h ALA 110 N 0.46 -0.27 -0.44 7.82 0.00 -1.20 -1.79 119.26 123.84 1nr1 h ALA 110 Ca 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1nr1 h ALA 110 Cb 0.36 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1nr1 h ALA 110 CO -0.81 -0.69 0.09 -0.07 0.00 0.00 0.00 179.25 177.77 1nr1 h LEU 111 N -0.32 0.61 -0.15 0.00 3.38 -0.35 -0.26 115.31 118.20 1nr1 h LEU 111 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1nr1 h LEU 111 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nr1 h LEU 111 CO -0.13 0.61 0.08 0.00 0.09 0.00 0.00 178.44 179.09 1nr1 h ALA 112 N 1.47 0.20 -0.63 1.53 0.00 -0.33 -0.61 119.26 120.89 1nr1 h ALA 112 Ca 0.14 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1nr1 h ALA 112 Cb 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1nr1 h ALA 112 CO -0.00 -0.26 0.24 1.03 0.00 0.00 0.00 179.25 180.26 1nr1 h SER 113 N 0.14 0.24 0.23 0.00 0.87 -0.51 -0.85 113.55 113.67 1nr1 h SER 113 Ca 0.05 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1nr1 h SER 113 Cb 0.09 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1nr1 h SER 113 CO -0.01 0.14 -0.45 0.25 -0.53 0.00 0.00 176.83 176.23 1nr1 h LEU 114 N 0.42 -1.31 -1.91 2.23 5.85 -0.42 -2.12 115.31 118.05 1nr1 h LEU 114 Ca 0.32 0.13 0.39 0.00 0.84 0.00 0.00 57.88 59.57 1nr1 h LEU 114 Cb 0.40 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1nr1 h LEU 114 CO -0.31 -0.55 0.97 0.24 -0.34 0.00 0.00 178.44 178.45 1nr1 h MET 115 N -0.76 0.04 -0.01 1.25 2.86 0.29 0.96 114.93 119.56 1nr1 h MET 115 Ca -0.01 -0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1nr1 h MET 115 Cb 0.74 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.41 1nr1 h MET 115 CO -0.19 0.02 -0.72 1.79 1.06 0.00 0.00 176.91 178.87 1nr1 h THR 116 N 0.04 1.38 -0.56 2.22 1.35 -0.78 -2.36 112.91 114.20 1nr1 h THR 116 Ca 0.67 -2.11 -0.11 0.00 -0.55 0.00 0.00 66.41 64.31 1nr1 h THR 116 Cb 2.56 2.51 -0.02 0.00 -1.73 0.00 0.00 68.15 71.47 1nr1 h THR 116 CO -0.06 0.63 -0.06 1.88 -0.25 0.00 0.00 175.52 177.66 1nr1 h TYR 117 N 0.05 1.14 -0.53 4.73 0.05 -0.81 -1.59 116.97 120.00 1nr1 h TYR 117 Ca -0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.46 1nr1 h TYR 117 Cb 1.41 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.84 1nr1 h TYR 117 CO 0.13 1.03 0.28 -0.22 -1.05 0.00 0.00 178.16 178.33 1nr1 h LYS 118 N 0.93 0.75 -0.45 4.88 3.64 -1.02 -1.81 116.57 123.48 1nr1 h LYS 118 Ca 0.15 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1nr1 h LYS 118 Cb 0.62 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1nr1 h LYS 118 CO 0.04 0.59 0.03 0.00 -2.27 0.00 0.00 179.45 177.84 1nr1 h ALA 120 N 1.35 -0.40 -0.82 0.00 0.00 -0.80 0.36 119.26 118.94 1nr1 h ALA 120 Ca 0.14 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1nr1 h ALA 120 Cb 0.38 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 1nr1 h ALA 120 CO 0.01 -0.64 -0.47 0.28 0.00 0.00 0.00 179.25 178.43 1nr1 h VAL 121 N -0.58 0.03 -0.26 0.00 2.07 -1.16 1.12 116.25 117.47 1nr1 h VAL 121 Ca -0.04 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1nr1 h VAL 121 Cb 0.42 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1nr1 h VAL 121 CO 0.07 0.00 0.15 1.33 0.02 0.00 0.00 177.57 179.13 1nr1 n VAL 122 N -5.38 1.44 -4.17 2.57 0.24 -1.16 -4.72 118.33 107.15 1nr1 n VAL 122 Ca 0.04 -0.52 -0.29 0.00 -2.04 0.00 0.00 64.34 61.52 1nr1 n VAL 122 Cb 0.34 -0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 31.90 1nr1 n VAL 122 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nr1 n ASP 123 N 0.06 0.27 -4.22 -1.34 8.00 0.39 -4.93 116.55 114.77 1nr1 n ASP 123 Ca 0.15 -1.18 -0.36 0.00 0.71 0.00 0.00 54.79 54.12 1nr1 n ASP 123 Cb 0.77 -2.14 -0.13 0.00 -0.02 0.00 0.00 41.12 39.59 1nr1 n ASP 123 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nr1 s VAL 124 N -4.20 3.24 0.00 2.53 1.01 0.13 -5.01 120.40 118.10 1nr1 s VAL 124 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1nr1 s VAL 124 Cb -0.01 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1nr1 s VAL 124 CO 0.96 -0.03 0.27 -0.81 0.00 0.00 0.00 175.10 175.49 1nr1 n PRO 125 N 4.70 0.00 -4.07 2.72 -0.04 -1.26 -4.39 135.00 132.66 1nr1 n PRO 125 Ca -0.14 -0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1nr1 n PRO 125 Cb 0.45 -1.04 -0.13 0.00 -0.04 0.00 0.00 33.50 32.73 1nr1 n PRO 125 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nr1 s PHE 126 N 1.62 0.42 0.68 0.54 2.99 -1.26 -4.38 117.98 118.59 1nr1 s PHE 126 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 56.93 56.62 1nr1 s PHE 126 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 43.02 42.76 1nr1 s PHE 126 CO 0.00 -0.04 1.06 0.20 -0.00 0.00 0.00 175.22 176.44 1nr1 s GLY 127 N -0.55 1.63 0.24 4.36 0.00 -0.99 -4.78 107.32 107.23 1nr1 s GLY 127 Ca -0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.25 1nr1 s GLY 127 CO -0.00 -0.02 0.55 -0.32 0.00 0.00 0.00 173.10 173.31 1nr1 s GLY 128 N -4.33 2.20 0.27 0.20 0.00 -1.24 -0.36 107.32 104.06 1nr1 s GLY 128 Ca 0.57 -0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.83 1nr1 s GLY 128 CO 0.51 -0.20 0.53 0.00 0.00 0.00 0.00 173.10 173.94 1nr1 s ALA 129 N -1.87 -0.29 -0.20 3.20 0.00 0.08 0.13 121.76 122.81 1nr1 s ALA 129 Ca 0.47 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 1nr1 s ALA 129 Cb -0.11 1.02 0.15 0.00 0.00 0.00 0.00 23.12 24.18 1nr1 s ALA 129 CO 0.23 -0.88 1.15 0.21 0.00 0.00 0.00 175.76 176.47 1nr1 s LYS 130 N -3.79 0.37 -0.06 0.00 2.47 -0.26 -4.20 119.74 114.27 1nr1 s LYS 130 Ca 0.21 0.02 -0.13 0.00 -1.56 0.00 0.00 55.97 54.52 1nr1 s LYS 130 Cb -0.02 0.17 0.02 0.00 -1.46 0.00 0.00 37.83 36.55 1nr1 s LYS 130 CO 0.10 -0.13 0.30 0.00 0.16 0.00 0.00 175.35 175.78 1nr1 s ALA 131 N -1.45 -0.75 0.04 3.13 0.00 -0.67 0.24 121.76 122.31 1nr1 s ALA 131 Ca 0.04 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1nr1 s ALA 131 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1nr1 s ALA 131 CO -0.03 -0.21 -0.16 0.20 0.00 0.00 0.00 175.76 175.55 1nr1 s GLY 132 N -0.68 0.91 -0.51 0.00 0.00 0.15 0.42 107.32 107.61 1nr1 s GLY 132 Ca -0.08 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1nr1 s GLY 132 CO 0.02 -0.88 0.28 0.14 0.00 0.00 0.00 173.10 172.67 1nr1 s VAL 133 N -0.85 2.21 -0.32 1.40 1.01 0.15 0.14 120.40 124.14 1nr1 s VAL 133 Ca 0.04 -3.17 -0.03 0.00 0.00 0.00 0.00 61.98 58.81 1nr1 s VAL 133 Cb -0.08 -2.52 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 1nr1 s VAL 133 CO 0.02 -0.86 1.37 1.17 0.00 0.00 0.00 175.10 176.80 1nr1 n LYS 134 N 3.12 0.01 -3.54 2.72 4.81 -0.70 -3.80 118.16 120.78 1nr1 n LYS 134 Ca 0.08 -0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 1nr1 n LYS 134 Cb 0.33 -1.10 -0.05 0.00 0.02 0.00 0.00 35.03 34.23 1nr1 n LYS 134 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1nr1 s ILE 135 N 0.58 0.01 -0.40 3.15 1.01 0.87 -4.62 121.20 121.81 1nr1 s ILE 135 Ca 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 1nr1 s ILE 135 Cb -0.25 -0.96 0.10 0.00 0.01 0.00 0.00 42.46 41.36 1nr1 s ILE 135 CO 0.17 -0.06 0.18 0.21 0.00 0.00 0.00 174.94 175.44 1nr1 s ASN 136 N -1.69 5.25 0.49 3.58 3.84 -1.26 -1.71 114.94 123.43 1nr1 s ASN 136 Ca -0.08 -1.89 0.42 0.00 0.21 0.00 0.00 52.86 51.52 1nr1 s ASN 136 Cb -0.01 -1.83 1.56 0.00 -0.55 0.00 0.00 41.25 40.43 1nr1 s ASN 136 CO 0.02 -0.51 1.47 -2.65 -2.79 0.00 0.00 177.10 172.65 1nr1 n PRO 137 N 4.63 -0.01 0.28 0.43 -0.02 -1.26 -0.43 135.00 138.61 1nr1 n PRO 137 Ca -0.04 1.08 -0.17 0.00 -2.02 0.00 0.00 63.50 62.35 1nr1 n PRO 137 Cb 0.42 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1nr1 n PRO 137 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nr1 h LYS 138 N 0.00 -0.79 0.00 -0.52 1.79 -1.95 -2.70 116.57 112.39 1nr1 h LYS 138 Ca 0.87 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.39 1nr1 h LYS 138 Cb 3.27 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 34.10 1nr1 h LYS 138 CO -0.16 -0.53 0.00 0.09 -1.08 0.00 0.00 179.45 177.77 1nr1 n ASN 139 N -5.48 0.00 -4.41 0.86 3.02 0.42 -4.73 115.26 104.94 1nr1 n ASN 139 Ca -0.11 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.16 1nr1 n ASN 139 Cb 0.38 -0.15 -0.13 0.00 -0.61 0.00 0.00 39.78 39.27 1nr1 n ASN 139 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nr1 s TYR 140 N -2.30 2.41 0.79 3.10 2.02 -1.02 -5.11 117.35 117.24 1nr1 s TYR 140 Ca 0.07 -0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1nr1 s TYR 140 Cb 0.04 -1.36 0.06 0.00 -0.40 0.00 0.00 41.96 40.30 1nr1 s TYR 140 CO 0.08 0.26 1.09 -0.08 -1.57 0.00 0.00 175.55 175.33 1nr1 s THR 141 N -0.97 3.25 0.30 -0.71 -1.32 -1.26 -4.85 115.64 110.09 1nr1 s THR 141 Ca 0.14 0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 61.01 1nr1 s THR 141 Cb -0.10 -3.10 0.27 0.00 -1.51 0.00 0.00 72.50 68.06 1nr1 s THR 141 CO 0.05 -0.53 1.96 0.44 -2.21 0.00 0.00 174.62 174.33 1nr1 h ASP 142 N -1.07 0.95 1.05 8.08 5.19 -1.98 -0.80 116.42 127.85 1nr1 h ASP 142 Ca -0.46 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1nr1 h ASP 142 Cb 1.25 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1nr1 h ASP 142 CO 0.57 0.67 0.00 -1.13 -3.12 0.00 0.00 179.24 176.24 1nr1 h ASN 143 N 1.11 0.00 0.78 6.45 -0.73 -2.00 -2.52 115.58 118.67 1nr1 h ASN 143 Ca 0.33 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.31 1nr1 h ASN 143 Cb -0.06 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1nr1 h ASN 143 CO -0.08 0.00 -1.32 -0.33 -0.37 0.00 0.00 177.43 175.32 1nr1 h GLU 144 N 0.00 0.00 -0.16 6.67 5.08 -1.53 -3.17 114.58 121.47 1nr1 h GLU 144 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1nr1 h GLU 144 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nr1 h GLU 144 CO 0.00 0.39 -0.71 -0.07 -1.00 0.00 0.00 179.01 177.63 1nr1 h LEU 145 N 0.00 0.79 0.86 1.33 3.38 -1.05 -1.85 115.31 118.77 1nr1 h LEU 145 Ca -0.16 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 1nr1 h LEU 145 Cb 1.65 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.17 1nr1 h LEU 145 CO 0.06 1.27 -0.41 -0.08 0.09 0.00 0.00 178.44 179.37 1nr1 h GLU 146 N 0.48 -1.11 -0.96 1.13 4.81 -1.58 -0.24 114.58 117.10 1nr1 h GLU 146 Ca -0.03 0.08 0.26 0.00 -0.13 0.00 0.00 59.36 59.54 1nr1 h GLU 146 Cb 1.31 0.25 -0.13 0.00 0.63 0.00 0.00 28.75 30.81 1nr1 h GLU 146 CO 0.14 -0.73 0.50 0.87 -0.73 0.00 0.00 179.01 179.05 1nr1 h LYS 147 N -1.22 0.40 0.45 1.92 1.57 -1.55 -0.74 116.57 117.39 1nr1 h LYS 147 Ca -0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1nr1 h LYS 147 Cb 0.89 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1nr1 h LYS 147 CO 0.19 0.26 -0.21 0.82 -0.57 0.00 0.00 179.45 179.94 1nr1 h ILE 148 N 0.41 0.20 -0.51 1.86 2.04 -1.15 -2.76 117.51 117.60 1nr1 h ILE 148 Ca 0.65 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1nr1 h ILE 148 Cb 1.33 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.61 1nr1 h ILE 148 CO -0.55 0.04 -0.26 0.71 0.00 0.00 0.00 178.15 178.09 1nr1 h THR 149 N -1.09 0.28 0.76 -0.27 1.35 -0.21 0.01 112.91 113.74 1nr1 h THR 149 Ca -0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.77 1nr1 h THR 149 Cb 0.53 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1nr1 h THR 149 CO 0.10 0.00 -0.48 0.03 -0.25 0.00 0.00 175.52 174.92 1nr1 h ARG 150 N -0.14 -1.12 0.00 4.72 3.08 -1.29 0.23 114.38 119.86 1nr1 h ARG 150 Ca 0.23 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1nr1 h ARG 150 Cb 0.50 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1nr1 h ARG 150 CO -0.59 -0.75 0.00 0.54 -1.07 0.00 0.00 179.97 178.10 1nr1 n ARG 151 N -5.47 0.12 -0.12 0.04 1.74 -1.01 -0.32 116.66 111.64 1nr1 n ARG 151 Ca -0.14 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 1nr1 n ARG 151 Cb 0.48 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1nr1 n ARG 151 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nr1 n PHE 152 N -0.97 0.41 -0.04 -1.55 7.35 -0.04 -3.96 117.46 118.66 1nr1 n PHE 152 Ca 0.03 0.17 -0.05 0.00 -0.76 0.00 0.00 57.45 56.83 1nr1 n PHE 152 Cb 0.01 -1.04 -0.04 0.00 0.35 0.00 0.00 39.48 38.76 1nr1 n PHE 152 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1nr1 h THR 153 N -0.91 0.00 -0.28 -2.13 2.02 0.25 0.21 112.91 112.05 1nr1 h THR 153 Ca -0.56 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1nr1 h THR 153 Cb 1.53 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1nr1 h THR 153 CO -0.32 0.00 -0.17 0.23 0.37 0.00 0.00 175.52 175.64 1nr1 n MET 154 N -3.69 -0.13 0.23 6.66 2.81 0.15 0.14 117.12 123.30 1nr1 n MET 154 Ca -0.02 0.84 0.16 0.00 -1.81 0.00 0.00 57.70 56.88 1nr1 n MET 154 Cb 0.13 -1.25 0.83 0.00 -0.71 0.00 0.00 33.22 32.22 1nr1 n MET 154 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1nr1 h GLU 155 N 0.00 0.00 0.00 0.03 4.39 -1.59 -0.43 114.58 116.98 1nr1 h GLU 155 Ca 0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1nr1 h GLU 155 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1nr1 h GLU 155 CO -0.27 0.00 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.51 1nr1 h LEU 156 N 0.00 -0.01 0.00 1.33 -0.00 0.34 -3.26 115.31 113.72 1nr1 h LEU 156 Ca 0.06 -0.68 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1nr1 h LEU 156 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1nr1 h LEU 156 CO -0.00 0.68 0.00 0.00 -0.00 0.00 0.00 178.44 179.12 1nr1 n ALA 157 N -2.45 -0.22 0.24 1.53 0.00 0.78 -0.87 120.51 119.51 1nr1 n ALA 157 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1nr1 n ALA 157 Cb 0.34 0.25 0.16 0.00 0.00 0.00 0.00 19.45 20.20 1nr1 n ALA 157 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nr1 h LYS 158 N 0.00 0.00 -0.10 0.00 1.57 -1.40 0.61 116.57 117.24 1nr1 h LYS 158 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nr1 h LYS 158 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1nr1 h LYS 158 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1nr1 n LYS 159 N -2.17 2.04 -1.81 3.15 4.76 -0.76 -4.99 118.16 118.39 1nr1 n LYS 159 Ca -0.00 -1.46 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 1nr1 n LYS 159 Cb 0.70 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.79 1nr1 n LYS 159 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nr1 n GLY 160 N 0.00 0.87 0.63 0.72 0.00 0.21 -4.99 105.19 102.64 1nr1 n GLY 160 Ca 0.04 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1nr1 n GLY 160 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nr1 n PHE 161 N -2.50 0.00 -2.70 1.61 3.72 -0.05 -4.85 117.46 112.69 1nr1 n PHE 161 Ca 0.00 -1.23 -0.05 0.00 -0.05 0.00 0.00 57.45 56.12 1nr1 n PHE 161 Cb 0.39 -0.21 0.05 0.00 -0.94 0.00 0.00 39.48 38.76 1nr1 n PHE 161 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1nr1 n ILE 162 N -0.91 0.00 -4.09 4.37 3.06 -1.25 -4.75 119.36 115.79 1nr1 n ILE 162 Ca 0.16 -0.72 -0.13 0.00 -2.50 0.00 0.00 62.75 59.56 1nr1 n ILE 162 Cb 0.75 0.98 -0.11 0.00 0.54 0.00 0.00 39.64 41.80 1nr1 n ILE 162 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1nr1 s GLY 163 N 0.08 0.59 0.47 4.50 0.00 0.29 -4.65 107.32 108.60 1nr1 s GLY 163 Ca 0.27 -0.91 0.17 0.00 0.00 0.00 0.00 44.72 44.25 1nr1 s GLY 163 CO -0.12 -0.98 2.01 -0.56 0.00 0.00 0.00 173.10 173.46 1nr1 h PRO 164 N 4.14 0.23 -0.42 2.90 0.13 -1.81 0.66 132.00 137.83 1nr1 h PRO 164 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1nr1 h PRO 164 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nr1 h PRO 164 CO 0.46 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1nr1 n GLY 165 N -1.56 2.93 1.13 1.56 0.00 -1.26 -4.70 105.19 103.29 1nr1 n GLY 165 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1nr1 n GLY 165 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nr1 n ILE 166 N 0.57 1.13 -3.37 -0.61 5.41 -0.05 -3.99 119.36 118.46 1nr1 n ILE 166 Ca 0.16 0.38 0.02 0.00 1.00 0.00 0.00 62.75 64.31 1nr1 n ILE 166 Cb 0.58 -1.50 -0.02 0.00 -0.71 0.00 0.00 39.64 37.99 1nr1 n ILE 166 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1nr1 s ASP 167 N -5.91 -1.22 -0.26 4.38 -1.08 0.21 -0.55 116.67 112.23 1nr1 s ASP 167 Ca 0.00 1.14 -0.07 0.00 -0.52 0.00 0.00 52.55 53.10 1nr1 s ASP 167 Cb 0.00 2.18 -0.01 0.00 -1.46 0.00 0.00 42.92 43.62 1nr1 s ASP 167 CO 0.00 -0.23 0.06 -0.69 0.52 0.00 0.00 175.17 174.83 1nr1 s VAL 168 N 2.86 4.11 0.64 1.11 1.01 0.56 -0.55 120.40 130.13 1nr1 s VAL 168 Ca 0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1nr1 s VAL 168 Cb -0.13 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.34 1nr1 s VAL 168 CO -0.20 0.26 0.89 -2.84 0.00 0.00 0.00 175.10 173.22 1nr1 s PRO 169 N 1.57 2.16 0.24 2.72 0.02 -1.19 -2.59 135.00 137.92 1nr1 s PRO 169 Ca 0.05 -0.87 0.01 0.00 0.02 0.00 0.00 61.00 60.22 1nr1 s PRO 169 Cb -0.16 -2.39 -0.00 0.00 0.02 0.00 0.00 34.50 31.97 1nr1 s PRO 169 CO 0.02 -1.07 0.29 0.00 -0.33 0.00 0.00 177.00 175.92 1nr1 n ALA 170 N -2.60 0.03 -1.95 -1.55 0.00 0.64 -1.73 120.51 113.35 1nr1 n ALA 170 Ca 0.11 -1.22 -0.25 0.00 0.00 0.00 0.00 53.44 52.07 1nr1 n ALA 170 Cb 0.60 0.99 0.10 0.00 0.00 0.00 0.00 19.45 21.13 1nr1 n ALA 170 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nr1 s PRO 171 N -2.70 1.83 -0.46 0.00 0.05 -1.26 -0.43 135.00 132.03 1nr1 s PRO 171 Ca 0.23 -0.55 0.07 0.00 0.05 0.00 0.00 61.00 60.80 1nr1 s PRO 171 Cb 0.00 -2.19 0.19 0.00 0.05 0.00 0.00 34.50 32.55 1nr1 s PRO 171 CO 0.17 -1.44 0.70 0.34 0.05 0.00 0.00 177.00 176.81 1nr1 s ASP 172 N -4.63 -1.44 0.00 6.66 -1.08 -1.16 -4.40 116.67 110.63 1nr1 s ASP 172 Ca 0.64 -1.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 1nr1 s ASP 172 Cb -0.08 1.87 0.00 0.00 -1.46 0.00 0.00 42.92 43.24 1nr1 s ASP 172 CO 0.45 -0.10 0.00 0.23 0.52 0.00 0.00 175.17 176.27 1nr1 n MET 173 N 3.63 0.00 0.16 4.34 2.81 -1.26 -2.78 117.12 124.02 1nr1 n MET 173 Ca 0.14 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 56.22 1nr1 n MET 173 Cb 0.57 0.00 0.74 0.00 -0.71 0.00 0.00 33.22 33.82 1nr1 n MET 173 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1nr1 h SER 174 N 0.00 0.00 -3.75 7.83 4.64 -1.88 -3.41 113.55 116.98 1nr1 h SER 174 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1nr1 h SER 174 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1nr1 h SER 174 CO 0.00 0.00 -0.72 0.42 -0.87 0.00 0.00 176.83 175.66 1nr1 s THR 175 N -4.44 1.34 0.00 2.95 -4.23 -1.12 -4.67 115.64 105.48 1nr1 s THR 175 Ca -0.04 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1nr1 s THR 175 Cb 0.13 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1nr1 s THR 175 CO 0.45 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1nr1 n GLY 176 N -0.19 5.36 0.25 3.99 0.00 -1.26 -2.97 105.19 110.37 1nr1 n GLY 176 Ca -0.10 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1nr1 n GLY 176 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nr1 n GLU 177 N 0.00 1.13 -0.01 1.61 0.28 -1.26 -2.95 120.64 119.44 1nr1 n GLU 177 Ca 0.00 -0.51 -0.21 0.00 -0.16 0.00 0.00 57.16 56.28 1nr1 n GLU 177 Cb 0.00 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.25 1nr1 n GLU 177 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1nr1 h ARG 178 N 1.24 0.20 -0.01 3.44 2.43 -1.95 -2.66 114.38 117.07 1nr1 h ARG 178 Ca 0.00 -0.34 -0.11 0.00 -0.81 0.00 0.00 59.98 58.72 1nr1 h ARG 178 Cb 0.37 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1nr1 h ARG 178 CO 0.00 1.16 -0.52 0.93 -1.51 0.00 0.00 179.97 180.03 1nr1 h GLU 179 N -0.44 0.02 -0.02 0.20 3.07 -1.96 -2.54 114.58 112.90 1nr1 h GLU 179 Ca -0.27 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.43 1nr1 h GLU 179 Cb 1.64 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.53 1nr1 h GLU 179 CO 0.03 0.54 -0.64 0.52 -1.40 0.00 0.00 179.01 178.06 1nr1 h MET 180 N 0.02 0.09 0.01 2.33 2.86 -1.62 -1.77 114.93 116.85 1nr1 h MET 180 Ca -0.00 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 1nr1 h MET 180 Cb 0.93 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1nr1 h MET 180 CO 0.07 0.70 -0.92 1.03 1.06 0.00 0.00 176.91 178.85 1nr1 h SER 181 N 0.07 0.28 -0.14 1.22 0.87 -1.28 -2.11 113.55 112.45 1nr1 h SER 181 Ca -0.01 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 1nr1 h SER 181 Cb 1.14 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1nr1 h SER 181 CO 0.09 1.05 0.00 -0.50 -0.53 0.00 0.00 176.83 176.95 1nr1 h TRP 182 N 0.11 0.26 -0.10 2.24 6.55 -1.31 -0.85 115.95 122.85 1nr1 h TRP 182 Ca -0.05 -0.04 0.04 0.00 0.95 0.00 0.00 58.89 59.78 1nr1 h TRP 182 Cb 1.56 -0.07 -0.05 0.00 -0.86 0.00 0.00 29.16 29.75 1nr1 h TRP 182 CO 0.03 0.46 -0.17 0.82 -1.05 0.00 0.00 178.44 178.54 1nr1 h ILE 183 N -0.01 0.56 0.05 1.49 2.04 -1.30 0.39 117.51 120.73 1nr1 h ILE 183 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1nr1 h ILE 183 Cb 0.35 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1nr1 h ILE 183 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.95 1nr1 h ALA 184 N 0.79 -0.31 -0.33 1.87 0.00 -1.34 -1.82 119.26 118.12 1nr1 h ALA 184 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nr1 h ALA 184 Cb 0.35 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1nr1 h ALA 184 CO -0.23 -0.72 0.21 0.22 0.00 0.00 0.00 179.25 178.73 1nr1 h ASP 185 N -0.36 0.37 0.03 0.00 1.82 -0.42 -0.94 116.42 116.92 1nr1 h ASP 185 Ca 0.04 -0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1nr1 h ASP 185 Cb 0.41 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.28 1nr1 h ASP 185 CO -0.16 0.27 -0.35 0.74 -1.61 0.00 0.00 179.24 178.13 1nr1 h THR 186 N 0.44 0.26 -0.98 2.25 2.02 0.01 -1.62 112.91 115.29 1nr1 h THR 186 Ca 0.12 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.38 1nr1 h THR 186 Cb -0.04 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 66.56 1nr1 h THR 186 CO -0.03 0.00 0.63 0.22 0.37 0.00 0.00 175.52 176.71 1nr1 h TYR 187 N -0.52 1.15 0.00 3.16 3.20 -1.07 -0.16 116.97 122.73 1nr1 h TYR 187 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1nr1 h TYR 187 Cb 0.60 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1nr1 h TYR 187 CO -0.35 0.57 0.00 0.00 -1.64 0.00 0.00 178.16 176.74 1nr1 n ALA 188 N -2.37 2.21 0.28 1.82 0.00 -0.38 0.02 120.51 122.10 1nr1 n ALA 188 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1nr1 n ALA 188 Cb 0.22 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 1nr1 n ALA 188 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 189 N -1.47 1.36 0.00 0.00 7.64 -0.65 -4.04 113.62 116.46 1nr1 n SER 189 Ca 0.07 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1nr1 n SER 189 Cb 0.29 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 1nr1 n SER 189 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nr1 n THR 190 N -1.60 0.00 0.05 0.44 -1.04 -0.16 -4.75 114.28 107.22 1nr1 n THR 190 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1nr1 n THR 190 Cb 0.25 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 68.90 1nr1 n THR 190 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1nr1 n ILE 191 N 0.00 1.44 -2.37 12.58 -0.00 -1.24 -1.88 119.36 127.89 1nr1 n ILE 191 Ca 0.00 0.57 -0.15 0.00 -0.00 0.00 0.00 62.75 63.17 1nr1 n ILE 191 Cb 0.00 -1.57 0.03 0.00 -0.00 0.00 0.00 39.64 38.10 1nr1 n ILE 191 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nr1 n GLY 192 N -1.38 4.52 0.13 7.39 0.00 0.10 -4.79 105.19 111.17 1nr1 n GLY 192 Ca -0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.95 1nr1 n GLY 192 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nr1 h HIS 193 N 2.40 0.01 0.00 1.61 6.17 -1.50 -3.24 115.15 120.61 1nr1 h HIS 193 Ca 0.16 -0.00 -0.23 0.00 0.71 0.00 0.00 60.37 61.01 1nr1 h HIS 193 Cb 1.38 -0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.27 1nr1 h HIS 193 CO 0.71 0.64 -1.34 1.88 0.71 0.00 0.00 177.93 180.52 1nr1 h TYR 194 N 0.01 0.00 -2.23 5.26 -1.99 -1.86 -3.47 116.97 112.68 1nr1 h TYR 194 Ca -0.01 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.10 1nr1 h TYR 194 Cb 1.12 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.93 1nr1 h TYR 194 CO 0.00 0.86 0.39 -3.47 -0.00 0.00 0.00 178.16 175.94 1nr1 n ASP 195 N -3.10 1.87 -0.18 3.88 4.64 -1.22 -4.87 116.55 117.56 1nr1 n ASP 195 Ca -0.09 1.14 0.13 0.00 -1.38 0.00 0.00 54.79 54.59 1nr1 n ASP 195 Cb 0.95 -1.30 0.32 0.00 -1.04 0.00 0.00 41.12 40.04 1nr1 n ASP 195 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nr1 n ILE 196 N 1.61 0.00 -2.18 5.18 3.06 -1.26 -3.56 119.36 122.22 1nr1 n ILE 196 Ca 0.14 -0.09 -0.13 0.00 -2.50 0.00 0.00 62.75 60.17 1nr1 n ILE 196 Cb 0.27 0.40 0.05 0.00 0.54 0.00 0.00 39.64 40.91 1nr1 n ILE 196 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nr1 n ASN 197 N -0.89 3.48 -0.12 9.51 3.02 -1.26 -4.78 115.26 124.22 1nr1 n ASN 197 Ca 0.10 -3.28 -0.10 0.00 -0.03 0.00 0.00 54.58 51.27 1nr1 n ASN 197 Cb 0.35 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 1nr1 n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nr1 h ALA 198 N 2.04 0.76 0.00 5.41 0.00 -1.84 -2.26 119.26 123.38 1nr1 h ALA 198 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nr1 h ALA 198 Cb 1.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nr1 h ALA 198 CO 0.48 0.66 0.00 0.72 0.00 0.00 0.00 179.25 181.11 1nr1 n HIS 199 N -4.10 0.00 1.46 0.00 8.25 -1.26 -1.14 115.22 118.43 1nr1 n HIS 199 Ca -0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1nr1 n HIS 199 Cb 0.46 -0.29 0.50 0.00 1.12 0.00 0.00 29.99 31.78 1nr1 n HIS 199 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nr1 n ALA 200 N -1.29 2.56 0.30 -1.41 0.00 -0.85 -4.07 120.51 115.75 1nr1 n ALA 200 Ca 0.04 -0.44 0.16 0.00 0.00 0.00 0.00 53.44 53.20 1nr1 n ALA 200 Cb 0.07 -1.17 0.74 0.00 0.00 0.00 0.00 19.45 19.08 1nr1 n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nr1 s VAL 202 N -3.66 0.01 0.27 0.00 0.11 -1.26 -3.18 120.40 112.69 1nr1 s VAL 202 Ca -0.00 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1nr1 s VAL 202 Cb 0.09 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1nr1 s VAL 202 CO 0.39 -0.03 0.33 0.42 -3.33 0.00 0.00 175.10 172.89 1nr1 s THR 203 N -0.27 4.62 0.00 5.04 -4.23 -0.71 -4.57 115.64 115.52 1nr1 s THR 203 Ca -0.04 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1nr1 s THR 203 Cb -0.03 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1nr1 s THR 203 CO 0.04 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1nr1 n GLY 204 N -1.39 0.68 3.49 3.99 0.00 -1.26 -4.27 105.19 106.42 1nr1 n GLY 204 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1nr1 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr1 s LYS 205 N -0.88 -0.97 0.28 1.61 1.02 -1.26 -4.33 119.74 115.21 1nr1 s LYS 205 Ca 0.00 0.84 -0.25 0.00 0.02 0.00 0.00 55.97 56.57 1nr1 s LYS 205 Cb 0.00 -1.55 -0.09 0.00 -0.52 0.00 0.00 37.83 35.67 1nr1 s LYS 205 CO 0.00 -3.76 0.89 -2.14 -0.92 0.00 0.00 175.35 169.42 1nr1 s PRO 206 N -4.46 4.56 0.26 -1.68 0.02 -1.26 -4.19 135.00 128.26 1nr1 s PRO 206 Ca 0.68 1.26 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 1nr1 s PRO 206 Cb -0.25 -2.91 0.55 0.00 0.02 0.00 0.00 34.50 31.91 1nr1 s PRO 206 CO 0.65 0.36 1.64 0.82 -0.33 0.00 0.00 177.00 180.13 1nr1 h ILE 207 N 2.76 0.32 0.00 2.83 5.03 -1.92 1.04 117.51 127.58 1nr1 h ILE 207 Ca -0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1nr1 h ILE 207 Cb 1.19 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 1nr1 h ILE 207 CO 0.65 0.03 0.00 -1.54 -0.68 0.00 0.00 178.15 176.61 1nr1 n SER 208 N -5.30 0.00 -1.48 1.72 3.41 -1.26 -1.38 113.62 109.33 1nr1 n SER 208 Ca 0.17 0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 59.08 1nr1 n SER 208 Cb 0.56 -0.40 0.10 0.00 -0.26 0.00 0.00 64.21 64.21 1nr1 n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr1 n GLN 209 N -1.40 2.33 -0.85 4.33 1.13 0.35 -4.94 117.38 118.33 1nr1 n GLN 209 Ca 0.01 -3.58 0.00 0.00 -1.94 0.00 0.00 57.00 51.49 1nr1 n GLN 209 Cb 0.03 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.62 1nr1 n GLN 209 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nr1 n GLY 210 N -0.76 0.48 3.44 1.08 0.00 -0.48 -4.52 105.19 104.43 1nr1 n GLY 210 Ca 0.27 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1nr1 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr1 n GLY 211 N -2.85 -2.18 3.23 -0.02 0.00 -0.59 -4.79 105.19 97.98 1nr1 n GLY 211 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1nr1 n GLY 211 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nr1 s ILE 212 N -3.25 1.79 0.39 -0.61 2.07 -1.26 -4.68 121.20 115.65 1nr1 s ILE 212 Ca 0.68 -0.94 -0.24 0.00 -1.41 0.00 0.00 60.65 58.74 1nr1 s ILE 212 Cb -0.04 -1.51 -0.09 0.00 0.13 0.00 0.00 42.46 40.95 1nr1 s ILE 212 CO 0.50 0.50 1.05 -1.00 -1.91 0.00 0.00 174.94 174.09 1nr1 s HIS 213 N -0.24 3.29 0.00 3.50 3.76 -1.26 -3.56 115.29 120.78 1nr1 s HIS 213 Ca 0.01 1.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 1nr1 s HIS 213 Cb -0.11 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.44 1nr1 s HIS 213 CO 0.02 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 1nr1 n GLY 214 N 0.41 0.89 0.15 -2.22 0.00 -1.26 -4.04 105.19 99.12 1nr1 n GLY 214 Ca 0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1nr1 n GLY 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nr1 h ARG 215 N 2.89 0.49 -0.41 1.61 2.43 -1.97 -2.95 114.38 116.46 1nr1 h ARG 215 Ca 0.00 -0.56 -0.15 0.00 -0.81 0.00 0.00 59.98 58.46 1nr1 h ARG 215 Cb 0.00 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1nr1 h ARG 215 CO 0.00 1.20 -0.33 0.82 -1.51 0.00 0.00 179.97 180.15 1nr1 h ILE 216 N 0.02 1.27 0.02 1.20 2.04 -1.94 -3.17 117.51 116.94 1nr1 h ILE 216 Ca -0.11 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1nr1 h ILE 216 Cb 1.49 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1nr1 h ILE 216 CO 0.15 0.50 -0.01 0.77 0.00 0.00 0.00 178.15 179.57 1nr1 h SER 217 N 0.78 -0.02 0.00 1.72 4.64 -1.97 -3.39 113.55 115.30 1nr1 h SER 217 Ca 0.08 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1nr1 h SER 217 Cb 0.91 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1nr1 h SER 217 CO 0.08 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1nr1 n ALA 218 N -2.22 0.00 0.19 5.18 0.00 -1.11 0.33 120.51 122.88 1nr1 n ALA 218 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1nr1 n ALA 218 Cb 0.14 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.34 1nr1 n ALA 218 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nr1 h THR 219 N 0.00 0.68 0.00 0.00 2.02 -1.78 0.08 112.91 113.92 1nr1 h THR 219 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nr1 h THR 219 Cb 0.00 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1nr1 h THR 219 CO 0.00 0.00 -0.45 1.23 0.37 0.00 0.00 175.52 176.67 1nr1 h GLY 220 N 0.00 0.00 1.48 2.16 0.00 -0.36 -2.59 103.07 103.76 1nr1 h GLY 220 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.21 1nr1 h GLY 220 CO -0.00 0.00 -1.22 -0.09 0.00 0.00 0.00 176.54 175.22 1nr1 h ARG 221 N 0.00 0.00 0.15 4.80 1.12 -1.02 -2.91 114.38 116.52 1nr1 h ARG 221 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1nr1 h ARG 221 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1nr1 h ARG 221 CO 0.00 0.61 -0.07 0.78 -3.11 0.00 0.00 179.97 178.18 1nr1 h GLY 222 N 3.39 -0.21 -0.83 2.80 0.00 -0.97 -1.81 103.07 105.43 1nr1 h GLY 222 Ca -0.13 0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.43 1nr1 h GLY 222 CO 0.09 -0.08 -0.27 -0.62 0.00 0.00 0.00 176.54 175.66 1nr1 n VAL 223 N -2.56 -0.40 0.18 4.60 0.31 -0.98 -0.04 118.33 119.44 1nr1 n VAL 223 Ca -0.02 1.93 -0.16 0.00 -0.01 0.00 0.00 64.34 66.08 1nr1 n VAL 223 Cb 0.08 -2.61 -0.09 0.00 -0.91 0.00 0.00 33.84 30.31 1nr1 n VAL 223 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1nr1 h PHE 224 N 0.00 -1.36 -0.97 3.52 3.04 -1.42 0.18 116.94 119.92 1nr1 h PHE 224 Ca 0.34 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.42 1nr1 h PHE 224 Cb 0.55 0.56 -0.08 0.00 2.56 0.00 0.00 35.95 39.54 1nr1 h PHE 224 CO -0.69 -0.58 0.61 0.45 -2.02 0.00 0.00 178.31 176.08 1nr1 h HIS 225 N -0.80 1.11 -0.90 0.41 3.86 0.45 0.21 115.15 119.49 1nr1 h HIS 225 Ca -0.03 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1nr1 h HIS 225 Cb 0.75 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 1nr1 h HIS 225 CO -0.35 0.48 0.59 0.78 0.86 0.00 0.00 177.93 180.29 1nr1 h GLY 226 N 1.01 1.28 0.87 2.45 0.00 0.19 0.97 103.07 109.83 1nr1 h GLY 226 Ca 0.47 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1nr1 h GLY 226 CO -0.24 0.41 -0.39 -2.22 0.00 0.00 0.00 176.54 174.10 1nr1 h ILE 227 N 1.16 1.35 -0.17 2.60 2.04 0.78 -3.30 117.51 121.97 1nr1 h ILE 227 Ca 0.35 -1.67 0.05 0.00 1.00 0.00 0.00 64.86 64.59 1nr1 h ILE 227 Cb -0.04 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 1nr1 h ILE 227 CO -0.09 0.50 -0.43 -0.08 0.00 0.00 0.00 178.15 178.05 1nr1 h GLU 228 N 0.16 -0.46 -0.84 2.37 4.81 0.45 -0.34 114.58 120.73 1nr1 h GLU 228 Ca -0.01 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.44 1nr1 h GLU 228 Cb 1.01 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 1nr1 h GLU 228 CO 0.08 -0.30 0.56 -0.91 -0.73 0.00 0.00 179.01 177.71 1nr1 h ASN 229 N -0.47 0.38 0.63 1.04 2.35 -0.95 -1.52 115.58 117.03 1nr1 h ASN 229 Ca 0.08 0.03 -0.27 0.00 -0.55 0.00 0.00 56.30 55.59 1nr1 h ASN 229 Cb 0.62 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 1nr1 h ASN 229 CO -0.42 0.17 -1.42 -0.26 -1.65 0.00 0.00 177.43 173.85 1nr1 h PHE 230 N 0.39 0.19 -0.13 1.19 -1.00 -1.51 -3.24 116.94 112.82 1nr1 h PHE 230 Ca 0.42 -0.14 -0.14 0.00 2.81 0.00 0.00 57.97 60.93 1nr1 h PHE 230 Cb 1.06 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 1nr1 h PHE 230 CO -0.00 1.16 -0.51 0.97 -1.61 0.00 0.00 178.31 178.32 1nr1 h ILE 231 N 0.03 1.34 -0.00 -0.55 6.09 -0.25 -2.71 117.51 121.46 1nr1 h ILE 231 Ca -0.18 -1.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.55 1nr1 h ILE 231 Cb 1.94 1.80 0.00 0.00 0.47 0.00 0.00 36.82 41.03 1nr1 h ILE 231 CO 0.13 0.53 -0.13 0.59 -3.07 0.00 0.00 178.15 176.20 1nr1 n ASN 232 N -3.95 0.21 -4.68 2.19 5.03 -0.65 -4.76 115.26 108.64 1nr1 n ASN 232 Ca -0.02 0.02 -0.42 0.00 0.87 0.00 0.00 54.58 55.02 1nr1 n ASN 232 Cb 0.56 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 39.07 1nr1 n ASN 232 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nr1 s GLU 233 N -2.82 4.35 0.00 3.52 2.56 -1.02 -4.97 118.70 120.32 1nr1 s GLU 233 Ca 0.19 1.30 0.00 0.00 0.00 0.00 0.00 54.97 56.45 1nr1 s GLU 233 Cb 0.19 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.75 1nr1 s GLU 233 CO 0.54 -0.40 0.93 0.00 -0.56 0.00 0.00 175.26 175.78 1nr1 n ALA 234 N 5.38 -0.41 -0.14 6.30 0.00 -1.26 -2.48 120.51 127.90 1nr1 n ALA 234 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1nr1 n ALA 234 Cb 0.48 0.02 0.05 0.00 0.00 0.00 0.00 19.45 20.00 1nr1 n ALA 234 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 235 N -1.83 -0.16 -0.02 0.00 7.64 -1.26 -0.00 113.62 117.98 1nr1 n SER 235 Ca 0.00 0.67 -0.16 0.00 1.01 0.00 0.00 58.87 60.39 1nr1 n SER 235 Cb 0.00 -0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 62.90 1nr1 n SER 235 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1nr1 h TYR 236 N 0.00 0.41 0.00 1.43 -1.99 -1.88 -3.12 116.97 111.82 1nr1 h TYR 236 Ca 0.18 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1nr1 h TYR 236 Cb 0.27 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1nr1 h TYR 236 CO -0.31 0.99 0.00 -1.33 -0.00 0.00 0.00 178.16 177.51 1nr1 n MET 237 N -4.41 0.07 -0.10 4.88 2.81 1.00 -2.29 117.12 119.08 1nr1 n MET 237 Ca -0.09 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 55.87 1nr1 n MET 237 Cb 0.55 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 1nr1 n MET 237 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nr1 n SER 238 N -1.36 1.85 0.14 7.83 7.64 -0.56 0.33 113.62 129.50 1nr1 n SER 238 Ca 0.03 0.45 0.06 0.00 1.01 0.00 0.00 58.87 60.42 1nr1 n SER 238 Cb 0.07 -0.95 0.33 0.00 -1.01 0.00 0.00 64.21 62.64 1nr1 n SER 238 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1nr1 n ILE 239 N -4.46 0.75 0.17 0.44 2.08 -0.97 0.15 119.36 117.52 1nr1 n ILE 239 Ca -0.29 0.71 0.05 0.00 0.56 0.00 0.00 62.75 63.78 1nr1 n ILE 239 Cb 0.63 -1.71 -0.08 0.00 -0.75 0.00 0.00 39.64 37.74 1nr1 n ILE 239 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1nr1 n LEU 240 N -1.96 0.17 -0.76 1.39 4.77 -1.16 -4.99 117.00 114.47 1nr1 n LEU 240 Ca -0.01 -0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 55.78 1nr1 n LEU 240 Cb 0.27 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1nr1 n LEU 240 CO 0.05 0.04 0.02 0.61 -1.33 0.00 0.00 177.39 176.78 1nr1 n GLY 241 N 1.66 0.81 0.00 -0.72 0.00 0.39 -5.06 105.19 102.27 1nr1 n GLY 241 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1nr1 n GLY 241 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nr1 n MET 242 N -0.85 3.56 -4.08 1.61 2.00 1.01 -4.66 117.12 115.71 1nr1 n MET 242 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.37 1nr1 n MET 242 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.69 1nr1 n MET 242 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nr1 n THR 243 N 0.00 -2.59 -1.90 2.03 5.66 -1.26 -4.75 114.28 111.47 1nr1 n THR 243 Ca 0.00 -0.58 -0.29 0.00 -3.05 0.00 0.00 64.05 60.13 1nr1 n THR 243 Cb 0.00 -2.19 0.10 0.00 -1.55 0.00 0.00 70.33 66.69 1nr1 n THR 243 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1nr1 s PRO 244 N -6.96 1.88 -0.01 1.09 0.02 -1.26 -4.97 135.00 124.79 1nr1 s PRO 244 Ca 0.15 0.08 0.14 0.00 0.02 0.00 0.00 61.00 61.40 1nr1 s PRO 244 Cb -0.07 -1.94 -0.18 0.00 0.02 0.00 0.00 34.50 32.32 1nr1 s PRO 244 CO 0.94 -1.65 0.51 0.41 -0.33 0.00 0.00 177.00 176.88 1nr1 n GLY 245 N -3.34 -0.45 0.00 0.52 0.00 -1.26 -3.17 105.19 97.49 1nr1 n GLY 245 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1nr1 n GLY 245 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nr1 n PHE 246 N -1.55 0.00 -0.03 1.61 7.35 -1.26 -4.67 117.46 118.90 1nr1 n PHE 246 Ca 0.01 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.56 1nr1 n PHE 246 Cb 0.27 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.96 1nr1 n PHE 246 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nr1 n GLY 247 N 1.81 -0.78 4.96 7.13 0.00 -1.26 -4.93 105.19 112.12 1nr1 n GLY 247 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1nr1 n GLY 247 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nr1 n ASP 248 N -3.19 0.00 -3.39 1.61 4.64 -1.19 -3.86 116.55 111.16 1nr1 n ASP 248 Ca -0.27 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.00 1nr1 n ASP 248 Cb 1.06 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 41.04 1nr1 n ASP 248 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1nr1 s LYS 249 N 0.00 0.32 -0.03 -0.67 1.02 -1.26 -4.47 119.74 114.64 1nr1 s LYS 249 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.11 1nr1 s LYS 249 Cb 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1nr1 s LYS 249 CO 0.00 -0.88 -0.05 0.95 -0.92 0.00 0.00 175.35 174.45 1nr1 s THR 250 N 2.42 0.52 0.09 2.17 -4.23 -1.25 -0.56 115.64 114.80 1nr1 s THR 250 Ca 0.10 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1nr1 s THR 250 Cb -0.14 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1nr1 s THR 250 CO -0.25 0.20 -0.06 0.72 -0.54 0.00 0.00 174.62 174.69 1nr1 s PHE 251 N 0.60 0.83 -0.14 3.99 -0.71 0.32 -1.60 117.98 121.27 1nr1 s PHE 251 Ca -0.08 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 1nr1 s PHE 251 Cb -0.11 -0.49 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 1nr1 s PHE 251 CO 0.00 -0.17 -0.12 0.08 -1.34 0.00 0.00 175.22 173.67 1nr1 s VAL 252 N -3.42 1.43 -0.22 -2.49 1.01 -0.36 -1.50 120.40 114.84 1nr1 s VAL 252 Ca 0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1nr1 s VAL 252 Cb 0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1nr1 s VAL 252 CO -0.05 0.43 0.04 0.54 0.00 0.00 0.00 175.10 176.06 1nr1 s VAL 253 N 1.54 4.25 -0.35 2.92 0.11 -0.26 -0.92 120.40 127.70 1nr1 s VAL 253 Ca 0.05 -0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 58.73 1nr1 s VAL 253 Cb -0.13 -2.95 -0.01 0.00 -1.53 0.00 0.00 36.38 31.76 1nr1 s VAL 253 CO -0.10 0.39 0.45 -1.58 -3.33 0.00 0.00 175.10 170.93 1nr1 s GLN 254 N 1.18 3.59 0.00 1.54 0.74 -0.99 -1.73 119.66 123.98 1nr1 s GLN 254 Ca 0.04 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.17 1nr1 s GLN 254 Cb -0.14 -3.81 0.00 0.00 1.10 0.00 0.00 33.01 30.16 1nr1 s GLN 254 CO 0.03 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 1nr1 n GLY 255 N 4.87 1.49 2.11 2.59 0.00 0.19 0.51 105.19 116.95 1nr1 n GLY 255 Ca -0.07 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 1nr1 n GLY 255 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nr1 n PHE 256 N 2.19 2.85 -0.41 1.61 -0.00 -1.25 -4.10 117.46 118.35 1nr1 n PHE 256 Ca 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 57.45 55.07 1nr1 n PHE 256 Cb 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 39.48 38.43 1nr1 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr1 n GLY 257 N -1.00 -0.77 0.10 7.13 0.00 -1.26 -4.46 105.19 104.92 1nr1 n GLY 257 Ca 0.56 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 1nr1 n GLY 257 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1nr1 h ASN 258 N 0.00 -0.41 -0.46 1.61 -1.24 -1.94 -0.71 115.58 112.43 1nr1 h ASN 258 Ca 0.00 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.11 1nr1 h ASN 258 Cb 0.00 0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 1nr1 h ASN 258 CO 0.00 -0.08 0.21 1.62 -1.29 0.00 0.00 177.43 177.89 1nr1 h VAL 259 N -0.07 0.93 -0.63 2.57 3.04 -1.91 -2.59 116.25 117.59 1nr1 h VAL 259 Ca 0.02 -0.15 -0.09 0.00 -1.01 0.00 0.00 66.70 65.48 1nr1 h VAL 259 Cb 0.12 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 29.85 1nr1 h VAL 259 CO -0.14 0.08 0.06 1.23 -1.01 0.00 0.00 177.57 177.79 1nr1 h GLY 260 N 0.42 1.15 0.98 3.17 0.00 -1.69 0.11 103.07 107.22 1nr1 h GLY 260 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1nr1 h GLY 260 CO -0.16 0.74 0.09 -2.00 0.00 0.00 0.00 176.54 175.21 1nr1 h LEU 261 N 0.97 0.17 -0.05 3.11 5.85 -0.96 -0.71 115.31 123.69 1nr1 h LEU 261 Ca 0.18 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1nr1 h LEU 261 Cb 0.49 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1nr1 h LEU 261 CO 0.02 0.14 -0.04 0.45 -0.34 0.00 0.00 178.44 178.68 1nr1 h HIS 262 N 0.18 0.13 -0.89 1.25 3.86 -1.44 -2.00 115.15 116.24 1nr1 h HIS 262 Ca 0.05 -0.04 0.21 0.00 -1.16 0.00 0.00 60.37 59.44 1nr1 h HIS 262 Cb 0.00 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 28.28 1nr1 h HIS 262 CO -0.06 0.54 -0.06 0.77 0.86 0.00 0.00 177.93 179.98 1nr1 h SER 263 N -0.32 -0.55 0.51 2.45 0.02 -0.62 0.79 113.55 115.83 1nr1 h SER 263 Ca 0.01 0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1nr1 h SER 263 Cb 0.51 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1nr1 h SER 263 CO 0.01 -0.28 -0.42 -0.03 -1.14 0.00 0.00 176.83 174.97 1nr1 h MET 264 N 0.04 0.00 -0.06 3.45 1.85 -0.98 -1.51 114.93 117.72 1nr1 h MET 264 Ca 0.48 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.56 1nr1 h MET 264 Cb 0.88 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.91 1nr1 h MET 264 CO -0.84 0.42 -0.02 0.00 -0.40 0.00 0.00 176.91 176.07 1nr1 h ARG 265 N 0.00 0.12 -0.07 0.39 2.47 0.13 -2.36 114.38 115.06 1nr1 h ARG 265 Ca -0.00 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1nr1 h ARG 265 Cb 0.79 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1nr1 h ARG 265 CO 0.05 0.47 -0.11 1.88 0.56 0.00 0.00 179.97 182.82 1nr1 h TYR 266 N -0.23 0.25 -0.54 3.04 0.05 -1.21 -1.56 116.97 116.77 1nr1 h TYR 266 Ca 0.02 -0.08 0.11 0.00 0.05 0.00 0.00 58.73 58.82 1nr1 h TYR 266 Cb 0.43 -0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.02 1nr1 h TYR 266 CO 0.06 0.70 -0.14 -0.07 -1.05 0.00 0.00 178.16 177.66 1nr1 h LEU 267 N -0.27 -0.50 0.11 3.88 -0.00 -1.36 -2.65 115.31 114.52 1nr1 h LEU 267 Ca 0.01 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1nr1 h LEU 267 Cb 0.67 0.33 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1nr1 h LEU 267 CO 0.03 -0.18 -0.23 -0.74 -0.00 0.00 0.00 178.44 177.31 1nr1 h HIS 268 N -0.00 -0.66 -1.58 1.13 2.76 -1.30 -2.63 115.15 112.87 1nr1 h HIS 268 Ca 0.26 0.01 0.46 0.00 -2.20 0.00 0.00 60.37 58.90 1nr1 h HIS 268 Cb 0.39 0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.56 1nr1 h HIS 268 CO -0.45 -0.28 1.34 -2.13 -1.30 0.00 0.00 177.93 175.12 1nr1 n ARG 269 N -3.76 0.01 -0.57 5.26 0.63 -0.60 -0.35 116.66 117.28 1nr1 n ARG 269 Ca -0.04 1.06 0.09 0.00 -0.92 0.00 0.00 57.85 58.03 1nr1 n ARG 269 Cb 0.19 -2.52 0.33 0.00 0.45 0.00 0.00 32.46 30.91 1nr1 n ARG 269 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1nr1 n PHE 270 N -3.63 1.36 -0.13 -0.14 3.72 -0.99 -4.95 117.46 112.70 1nr1 n PHE 270 Ca 0.36 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 1nr1 n PHE 270 Cb 1.82 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 40.11 1nr1 n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nr1 n GLY 271 N 0.85 1.04 3.23 1.37 0.00 0.53 -5.10 105.19 107.10 1nr1 n GLY 271 Ca 0.24 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1nr1 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 272 N -2.05 1.58 -0.22 4.61 0.00 -1.20 -4.64 121.76 119.85 1nr1 s ALA 272 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.79 1nr1 s ALA 272 Cb 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1nr1 s ALA 272 CO 0.00 0.33 0.24 0.21 0.00 0.00 0.00 175.76 176.54 1nr1 s LYS 273 N -1.40 4.12 -0.61 0.00 2.20 0.27 -4.27 119.74 120.06 1nr1 s LYS 273 Ca 0.05 -0.10 -0.20 0.00 -0.36 0.00 0.00 55.97 55.37 1nr1 s LYS 273 Cb -0.09 -3.53 0.09 0.00 -1.51 0.00 0.00 37.83 32.79 1nr1 s LYS 273 CO 0.02 0.04 0.77 0.00 -0.36 0.00 0.00 175.35 175.82 1nr1 h ILE 275 N 5.94 0.17 -1.91 0.00 2.10 -1.54 -0.52 117.51 121.74 1nr1 h ILE 275 Ca -0.29 -1.26 -0.00 0.00 1.08 0.00 0.00 64.86 64.39 1nr1 h ILE 275 Cb 1.08 1.91 -0.22 0.00 -1.09 0.00 0.00 36.82 38.50 1nr1 h ILE 275 CO 1.12 0.09 0.17 0.00 -1.08 0.00 0.00 178.15 178.45 1nr1 s ALA 276 N -3.20 -1.86 0.21 0.18 0.00 -1.25 -2.33 121.76 113.52 1nr1 s ALA 276 Ca 0.04 2.11 0.11 0.00 0.00 0.00 0.00 51.96 54.21 1nr1 s ALA 276 Cb 0.07 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1nr1 s ALA 276 CO 0.73 -0.33 -0.21 0.08 0.00 0.00 0.00 175.76 176.02 1nr1 s VAL 277 N 0.71 2.22 -0.08 0.00 1.01 -1.22 -1.10 120.40 121.93 1nr1 s VAL 277 Ca -0.02 -2.10 -0.12 0.00 0.00 0.00 0.00 61.98 59.74 1nr1 s VAL 277 Cb -0.05 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1nr1 s VAL 277 CO -0.06 -0.26 0.30 -0.83 0.00 0.00 0.00 175.10 174.25 1nr1 s GLY 278 N -2.89 -0.19 0.30 4.51 0.00 -0.70 -0.82 107.32 107.52 1nr1 s GLY 278 Ca 0.22 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1nr1 s GLY 278 CO 0.10 0.50 0.00 1.18 0.00 0.00 0.00 173.10 174.88 1nr1 n GLU 279 N 2.35 1.26 -0.19 2.90 -0.58 -1.01 0.56 120.64 125.93 1nr1 n GLU 279 Ca -0.16 -2.19 0.02 0.00 -0.42 0.00 0.00 57.16 54.41 1nr1 n GLU 279 Cb 0.57 0.59 0.28 0.00 -0.57 0.00 0.00 31.44 32.32 1nr1 n GLU 279 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1nr1 h SER 280 N 0.73 0.80 0.00 1.62 4.64 -2.01 -3.38 113.55 115.94 1nr1 h SER 280 Ca -0.25 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1nr1 h SER 280 Cb 0.75 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1nr1 h SER 280 CO 0.41 0.57 0.00 0.47 -0.87 0.00 0.00 176.83 177.41 1nr1 n ASP 281 N -4.44 0.00 0.00 4.97 8.00 -1.26 -5.07 116.55 118.75 1nr1 n ASP 281 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1nr1 n ASP 281 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1nr1 n ASP 281 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nr1 n GLY 282 N 3.25 1.76 3.47 0.44 0.00 -1.26 -5.17 105.19 107.68 1nr1 n GLY 282 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1nr1 n GLY 282 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nr1 s SER 283 N -1.00 -0.48 0.29 1.61 0.01 -1.26 -2.41 113.70 110.46 1nr1 s SER 283 Ca 0.00 -0.13 0.11 0.00 1.31 0.00 0.00 55.95 57.24 1nr1 s SER 283 Cb 0.00 0.60 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 1nr1 s SER 283 CO 0.00 -1.01 -0.16 -0.63 0.41 0.00 0.00 173.24 171.85 1nr1 s ILE 284 N -3.78 2.55 -0.03 1.44 1.09 -0.00 -2.51 121.20 119.94 1nr1 s ILE 284 Ca 0.03 -2.33 -0.27 0.00 -1.10 0.00 0.00 60.65 56.98 1nr1 s ILE 284 Cb -0.01 -2.40 0.06 0.00 -1.06 0.00 0.00 42.46 39.04 1nr1 s ILE 284 CO -0.10 -0.37 0.60 0.86 -0.10 0.00 0.00 174.94 175.84 1nr1 s TRP 285 N -2.50 -0.56 0.00 3.97 -0.11 -1.12 -3.42 118.94 115.20 1nr1 s TRP 285 Ca 0.31 0.90 0.00 0.00 1.22 0.00 0.00 56.10 58.53 1nr1 s TRP 285 Cb -0.04 0.36 0.00 0.00 -1.50 0.00 0.00 33.47 32.29 1nr1 s TRP 285 CO 0.16 -0.59 0.00 -1.71 -4.62 0.00 0.00 176.95 170.19 1nr1 n ASN 286 N 0.87 0.00 0.12 5.86 2.85 -0.98 -1.13 115.26 122.85 1nr1 n ASN 286 Ca -0.19 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.31 1nr1 n ASN 286 Cb 0.57 0.00 0.19 0.00 1.24 0.00 0.00 39.78 41.78 1nr1 n ASN 286 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nr1 n PRO 287 N 0.00 0.05 0.00 1.20 -0.02 -1.26 0.96 135.00 135.93 1nr1 n PRO 287 Ca 0.00 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1nr1 n PRO 287 Cb 0.00 -2.04 0.26 0.00 -0.02 0.00 0.00 33.50 31.70 1nr1 n PRO 287 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nr1 n ASP 288 N -1.76 1.15 0.00 2.55 10.43 -1.26 -4.98 116.55 122.69 1nr1 n ASP 288 Ca -0.00 -0.94 0.00 0.00 2.57 0.00 0.00 54.79 56.42 1nr1 n ASP 288 Cb 0.39 0.26 0.00 0.00 1.84 0.00 0.00 41.12 43.61 1nr1 n ASP 288 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nr1 n GLY 289 N 1.38 2.55 3.40 0.44 0.00 0.27 -4.99 105.19 108.25 1nr1 n GLY 289 Ca 0.10 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1nr1 n GLY 289 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nr1 s ILE 290 N -2.13 2.78 -0.45 -0.61 1.09 -0.20 -4.89 121.20 116.79 1nr1 s ILE 290 Ca 0.00 -0.81 -0.17 0.00 -1.10 0.00 0.00 60.65 58.57 1nr1 s ILE 290 Cb 0.00 -2.08 0.04 0.00 -1.06 0.00 0.00 42.46 39.36 1nr1 s ILE 290 CO 0.00 0.57 0.46 -0.62 -0.10 0.00 0.00 174.94 175.25 1nr1 s ASP 291 N -0.36 6.18 0.18 3.58 2.15 -1.26 -4.53 116.67 122.61 1nr1 s ASP 291 Ca 0.03 -0.88 -0.10 0.00 0.43 0.00 0.00 52.55 52.03 1nr1 s ASP 291 Cb -0.12 -2.22 0.23 0.00 -0.30 0.00 0.00 42.92 40.50 1nr1 s ASP 291 CO 0.02 -0.65 1.10 -2.65 -0.17 0.00 0.00 175.17 172.83 1nr1 n PRO 292 N 5.60 -0.13 0.28 4.34 -0.02 -1.26 0.50 135.00 144.31 1nr1 n PRO 292 Ca -0.09 1.10 0.17 0.00 -2.02 0.00 0.00 63.50 62.66 1nr1 n PRO 292 Cb 0.46 -1.63 0.77 0.00 -0.02 0.00 0.00 33.50 33.07 1nr1 n PRO 292 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1nr1 h LYS 293 N 0.00 0.00 0.00 -0.52 1.63 -1.98 0.39 116.57 116.09 1nr1 h LYS 293 Ca 0.28 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1nr1 h LYS 293 Cb 0.46 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1nr1 h LYS 293 CO -0.71 0.04 -0.20 0.93 -3.45 0.00 0.00 179.45 176.06 1nr1 h GLU 294 N 0.00 0.00 -0.69 1.90 5.08 -0.37 -2.90 114.58 117.61 1nr1 h GLU 294 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1nr1 h GLU 294 Cb 0.42 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1nr1 h GLU 294 CO 0.01 0.36 0.31 1.25 -1.00 0.00 0.00 179.01 179.93 1nr1 h LEU 295 N -1.00 0.37 0.08 1.33 5.85 -1.13 0.51 115.31 121.32 1nr1 h LEU 295 Ca -0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1nr1 h LEU 295 Cb 0.47 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1nr1 h LEU 295 CO -0.02 0.20 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.13 1nr1 h GLU 296 N 0.52 -0.15 -0.86 1.25 4.81 -0.35 -0.42 114.58 119.38 1nr1 h GLU 296 Ca 0.35 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.64 1nr1 h GLU 296 Cb 0.41 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1nr1 h GLU 296 CO -0.30 -0.10 0.54 -0.44 -0.73 0.00 0.00 179.01 177.98 1nr1 h ASP 297 N -0.16 0.87 0.00 1.04 3.32 -1.14 -1.02 116.42 119.34 1nr1 h ASP 297 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nr1 h ASP 297 Cb 0.15 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1nr1 h ASP 297 CO -0.01 0.58 0.00 0.33 -1.72 0.00 0.00 179.24 178.41 1nr1 n PHE 298 N -4.59 0.00 -0.10 4.55 7.35 0.10 0.84 117.46 125.61 1nr1 n PHE 298 Ca 0.12 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.90 1nr1 n PHE 298 Cb 0.14 0.00 0.16 0.00 0.35 0.00 0.00 39.48 40.13 1nr1 n PHE 298 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1nr1 n LYS 299 N -0.29 -0.01 -0.08 -4.13 3.00 -0.22 0.86 118.16 117.29 1nr1 n LYS 299 Ca 0.00 0.34 -0.19 0.00 -0.00 0.00 0.00 58.31 58.46 1nr1 n LYS 299 Cb 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 35.03 34.27 1nr1 n LYS 299 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1nr1 h LEU 300 N 0.00 0.04 -1.94 3.14 -0.00 -0.94 -3.35 115.31 112.27 1nr1 h LEU 300 Ca 0.22 -0.74 0.24 0.00 -0.00 0.00 0.00 57.88 57.60 1nr1 h LEU 300 Cb 0.64 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 1nr1 h LEU 300 CO -0.16 1.31 0.61 -0.61 -0.00 0.00 0.00 178.44 179.58 1nr1 h GLN 301 N -0.93 0.05 -1.39 1.13 4.15 0.69 -3.41 115.11 115.41 1nr1 h GLN 301 Ca -0.20 -0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.34 1nr1 h GLN 301 Cb 1.23 -0.01 -0.24 0.00 0.21 0.00 0.00 27.48 28.67 1nr1 h GLN 301 CO -0.10 0.03 0.22 -3.38 -1.93 0.00 0.00 178.83 173.67 1nr1 s HIS 302 N -5.04 -0.76 0.00 3.99 -3.43 -0.92 -5.09 115.29 104.04 1nr1 s HIS 302 Ca -0.05 1.39 0.00 0.00 -0.80 0.00 0.00 55.06 55.59 1nr1 s HIS 302 Cb 0.21 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.82 1nr1 s HIS 302 CO 0.77 -0.38 0.00 0.41 -2.00 0.00 0.00 174.74 173.54 1nr1 n GLY 303 N 4.56 1.30 2.86 -1.38 0.00 -1.26 -4.53 105.19 106.74 1nr1 n GLY 303 Ca -0.13 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.33 1nr1 n GLY 303 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nr1 n SER 304 N 4.16 2.76 -0.35 1.61 2.88 -1.26 -4.71 113.62 118.71 1nr1 n SER 304 Ca 0.00 -2.77 0.02 0.00 -1.33 0.00 0.00 58.87 54.79 1nr1 n SER 304 Cb 0.00 0.39 0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1nr1 n SER 304 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1nr1 n ILE 305 N -0.96 0.24 -2.48 2.46 -5.35 -1.26 -4.36 119.36 107.65 1nr1 n ILE 305 Ca -0.15 -0.20 -0.41 0.00 -0.27 0.00 0.00 62.75 61.73 1nr1 n ILE 305 Cb 0.51 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.36 1nr1 n ILE 305 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1nr1 s LEU 306 N -0.91 4.53 -0.47 7.28 1.02 -1.26 -3.10 118.68 125.76 1nr1 s LEU 306 Ca 0.09 2.21 0.00 0.00 0.02 0.00 0.00 54.13 56.45 1nr1 s LEU 306 Cb 0.05 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.65 1nr1 s LEU 306 CO 0.06 -0.18 0.00 0.61 0.02 0.00 0.00 176.35 176.85 1nr1 n GLY 307 N 1.55 0.72 3.68 -3.19 0.00 -1.26 -4.95 105.19 101.74 1nr1 n GLY 307 Ca 0.01 -0.75 -0.47 0.00 0.00 0.00 0.00 46.02 44.80 1nr1 n GLY 307 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nr1 n PHE 308 N -2.85 2.38 -0.68 1.61 7.35 -1.18 -4.91 117.46 119.18 1nr1 n PHE 308 Ca -0.04 -0.08 -0.32 0.00 -0.76 0.00 0.00 57.45 56.25 1nr1 n PHE 308 Cb 0.16 -2.69 0.17 0.00 0.35 0.00 0.00 39.48 37.47 1nr1 n PHE 308 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1nr1 n PRO 309 N 6.61 -1.39 -2.48 -7.13 -0.02 -1.26 -2.13 135.00 127.20 1nr1 n PRO 309 Ca 0.22 -0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.14 1nr1 n PRO 309 Cb 0.32 -1.79 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 1nr1 n PRO 309 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nr1 n LYS 310 N -2.31 -2.16 -3.64 -0.52 5.02 -1.26 -4.93 118.16 108.37 1nr1 n LYS 310 Ca 0.02 0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 1nr1 n LYS 310 Cb 0.59 -5.48 -0.07 0.00 -0.02 0.00 0.00 35.03 30.06 1nr1 n LYS 310 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr1 s ALA 311 N -2.87 -1.82 -0.24 7.82 0.00 -0.90 -4.87 121.76 118.88 1nr1 s ALA 311 Ca 0.03 2.20 -0.07 0.00 0.00 0.00 0.00 51.96 54.12 1nr1 s ALA 311 Cb -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1nr1 s ALA 311 CO 0.04 -0.36 0.05 -1.59 0.00 0.00 0.00 175.76 173.90 1nr1 s LYS 312 N 0.94 3.63 -0.46 0.00 0.00 -0.28 -4.69 119.74 118.88 1nr1 s LYS 312 Ca -0.04 -0.49 -0.45 0.00 0.00 0.00 0.00 55.97 54.98 1nr1 s LYS 312 Cb -0.05 -3.27 -0.19 0.00 0.00 0.00 0.00 37.83 34.33 1nr1 s LYS 312 CO -0.08 -0.16 1.76 -2.30 0.00 0.00 0.00 175.35 174.56 1nr1 n PRO 313 N 4.82 0.24 -3.69 1.78 -0.02 -1.26 -2.80 135.00 134.07 1nr1 n PRO 313 Ca -0.16 0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.01 1nr1 n PRO 313 Cb 0.51 -1.64 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 1nr1 n PRO 313 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nr1 s TYR 314 N 3.89 3.30 -0.05 6.00 5.04 -1.05 -4.90 117.35 129.58 1nr1 s TYR 314 Ca 1.07 -1.46 -0.02 0.00 -2.44 0.00 0.00 57.07 54.22 1nr1 s TYR 314 Cb -1.40 -2.54 -0.04 0.00 0.35 0.00 0.00 41.96 38.33 1nr1 s TYR 314 CO 0.75 -0.77 0.06 -2.00 -1.34 0.00 0.00 175.55 172.25 1nr1 s GLU 315 N 1.41 3.07 0.00 4.97 2.56 -1.26 -4.41 118.70 125.04 1nr1 s GLU 315 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.56 1nr1 s GLU 315 Cb -0.21 -2.87 0.00 0.00 2.00 0.00 0.00 34.13 33.05 1nr1 s GLU 315 CO 0.03 0.68 0.00 0.41 -0.56 0.00 0.00 175.26 175.82 1nr1 n GLY 316 N 1.62 3.62 2.20 -1.50 0.00 -1.26 -5.01 105.19 104.86 1nr1 n GLY 316 Ca -0.16 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 1nr1 n GLY 316 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nr1 n SER 317 N 0.00 0.68 0.30 1.61 3.41 -1.26 -4.68 113.62 113.67 1nr1 n SER 317 Ca 0.00 0.66 0.15 0.00 -0.26 0.00 0.00 58.87 59.42 1nr1 n SER 317 Cb 0.00 -0.53 0.79 0.00 -0.26 0.00 0.00 64.21 64.21 1nr1 n SER 317 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1nr1 h ILE 318 N 3.24 0.00 0.00 -1.33 3.07 -1.95 0.43 117.51 120.98 1nr1 h ILE 318 Ca -0.23 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.18 1nr1 h ILE 318 Cb 0.83 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1nr1 h ILE 318 CO 0.60 0.00 0.00 -0.07 -1.05 0.00 0.00 178.15 177.63 1nr1 h LEU 319 N 0.00 0.00 -2.67 0.16 4.07 -1.98 0.24 115.31 115.12 1nr1 h LEU 319 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1nr1 h LEU 319 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1nr1 h LEU 319 CO 0.00 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.74 1nr1 n GLU 320 N -3.01 2.64 -0.83 1.13 1.02 0.14 -4.24 120.64 117.50 1nr1 n GLU 320 Ca -0.03 -2.33 -0.30 0.00 -0.02 0.00 0.00 57.16 54.48 1nr1 n GLU 320 Cb 0.07 -1.44 0.17 0.00 -0.02 0.00 0.00 31.44 30.22 1nr1 n GLU 320 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nr1 s ALA 321 N -1.07 1.26 -0.43 0.62 0.00 0.82 -4.36 121.76 118.60 1nr1 s ALA 321 Ca 0.37 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 1nr1 s ALA 321 Cb 0.20 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1nr1 s ALA 321 CO 0.26 -2.75 0.38 0.34 0.00 0.00 0.00 175.76 173.99 1nr1 s ASP 322 N -2.86 6.15 0.00 0.00 -1.08 -1.26 -3.80 116.67 113.82 1nr1 s ASP 322 Ca 0.66 -0.91 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1nr1 s ASP 322 Cb -0.22 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1nr1 s ASP 322 CO 0.59 -0.55 0.00 0.00 0.52 0.00 0.00 175.17 175.73 1nr1 n ASP 324 N -0.43 1.13 -4.11 0.00 10.43 -0.63 -4.01 116.55 118.93 1nr1 n ASP 324 Ca 0.00 0.19 -0.32 0.00 2.57 0.00 0.00 54.79 57.23 1nr1 n ASP 324 Cb 0.00 -0.45 -0.16 0.00 1.84 0.00 0.00 41.12 42.34 1nr1 n ASP 324 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1nr1 s ILE 325 N -2.31 1.91 -0.22 0.53 -4.36 -1.00 -0.42 121.20 115.33 1nr1 s ILE 325 Ca -0.19 -0.86 -0.08 0.00 -0.26 0.00 0.00 60.65 59.26 1nr1 s ILE 325 Cb 0.07 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 1nr1 s ILE 325 CO 0.25 0.52 0.08 -0.22 0.24 0.00 0.00 174.94 175.81 1nr1 s LEU 326 N 1.15 3.70 -0.45 0.37 1.98 -0.43 -1.23 118.68 123.78 1nr1 s LEU 326 Ca 0.00 -0.03 0.03 0.00 -2.89 0.00 0.00 54.13 51.24 1nr1 s LEU 326 Cb -0.14 -1.97 0.12 0.00 0.66 0.00 0.00 46.19 44.86 1nr1 s LEU 326 CO -0.08 0.07 0.19 0.27 -1.89 0.00 0.00 176.35 174.91 1nr1 s ILE 327 N 0.97 2.64 -0.21 6.68 -0.00 -0.10 -0.83 121.20 130.35 1nr1 s ILE 327 Ca 0.04 -2.80 -0.28 0.00 -0.00 0.00 0.00 60.65 57.61 1nr1 s ILE 327 Cb -0.14 -2.86 -0.05 0.00 -0.00 0.00 0.00 42.46 39.42 1nr1 s ILE 327 CO 0.03 -0.72 2.03 -2.84 -0.00 0.00 0.00 174.94 173.44 1nr1 s PRO 328 N 0.32 3.38 -0.29 0.37 0.02 -1.24 -2.36 135.00 135.19 1nr1 s PRO 328 Ca 0.14 1.94 0.10 0.00 0.02 0.00 0.00 61.00 63.20 1nr1 s PRO 328 Cb -0.22 -4.27 0.47 0.00 0.02 0.00 0.00 34.50 30.49 1nr1 s PRO 328 CO -0.04 -1.82 1.17 0.00 -0.33 0.00 0.00 177.00 175.98 1nr1 n ALA 329 N 10.51 4.54 -3.00 -1.55 0.00 0.18 -2.44 120.51 128.76 1nr1 n ALA 329 Ca 0.26 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1nr1 n ALA 329 Cb 0.45 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nr1 n ALA 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nr1 n ALA 330 N -0.66 0.00 0.00 0.00 0.00 -1.24 -4.54 120.51 114.06 1nr1 n ALA 330 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1nr1 n ALA 330 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1nr1 n ALA 330 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 331 N -0.02 0.00 -4.84 0.00 7.64 -1.26 -4.87 113.62 110.27 1nr1 n SER 331 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1nr1 n SER 331 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1nr1 n SER 331 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1nr1 s GLU 332 N 0.00 3.23 -0.09 1.43 2.12 -1.26 -4.46 118.70 119.67 1nr1 s GLU 332 Ca 0.00 0.88 -0.08 0.00 0.36 0.00 0.00 54.97 56.13 1nr1 s GLU 332 Cb 0.00 -2.03 0.01 0.00 0.26 0.00 0.00 34.13 32.37 1nr1 s GLU 332 CO 0.00 -0.86 0.14 1.63 -0.54 0.00 0.00 175.26 175.62 1nr1 n LYS 333 N -2.92 -0.44 -0.05 4.30 5.02 0.10 -4.89 118.16 119.28 1nr1 n LYS 333 Ca 0.07 0.42 -0.03 0.00 -2.02 0.00 0.00 58.31 56.76 1nr1 n LYS 333 Cb 0.54 -0.58 -0.10 0.00 -0.02 0.00 0.00 35.03 34.87 1nr1 n LYS 333 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1nr1 n GLN 334 N 0.32 1.57 -3.57 1.97 -0.06 0.31 -4.81 117.38 113.11 1nr1 n GLN 334 Ca -0.02 -0.04 -0.40 0.00 -2.00 0.00 0.00 57.00 54.54 1nr1 n GLN 334 Cb 0.23 -1.32 -0.08 0.00 -4.06 0.00 0.00 30.24 25.01 1nr1 n GLN 334 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1nr1 s LEU 335 N -4.65 5.69 0.45 1.69 1.43 -0.92 -4.95 118.68 117.42 1nr1 s LEU 335 Ca -0.06 -2.06 0.07 0.00 -1.03 0.00 0.00 54.13 51.05 1nr1 s LEU 335 Cb 0.05 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1nr1 s LEU 335 CO 0.52 -0.65 0.27 0.42 0.23 0.00 0.00 176.35 177.14 1nr1 s THR 336 N 1.14 2.20 0.63 5.49 -4.23 -1.26 -2.91 115.64 116.70 1nr1 s THR 336 Ca 0.08 -1.57 0.26 0.00 -1.18 0.00 0.00 61.69 59.28 1nr1 s THR 336 Cb -0.24 -2.78 0.32 0.00 1.34 0.00 0.00 72.50 71.14 1nr1 s THR 336 CO -0.02 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.34 1nr1 h LYS 337 N 1.17 0.00 0.00 3.99 3.64 -1.93 0.19 116.57 123.63 1nr1 h LYS 337 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1nr1 h LYS 337 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1nr1 h LYS 337 CO 0.64 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 178.27 1nr1 n SER 338 N -3.25 0.00 0.22 4.20 2.88 -1.26 -4.15 113.62 112.26 1nr1 n SER 338 Ca 0.05 0.55 0.11 0.00 -1.33 0.00 0.00 58.87 58.25 1nr1 n SER 338 Cb 0.66 -0.10 0.29 0.00 -0.75 0.00 0.00 64.21 64.31 1nr1 n SER 338 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nr1 h ASN 339 N 0.00 0.00 -0.67 -3.46 -0.00 -1.80 -3.37 115.58 106.28 1nr1 h ASN 339 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.30 56.38 1nr1 h ASN 339 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 38.23 1nr1 h ASN 339 CO 0.00 0.13 -0.34 0.00 -0.00 0.00 0.00 177.43 177.23 1nr1 n ALA 340 N -2.14 -0.28 0.12 4.14 0.00 0.63 0.26 120.51 123.24 1nr1 n ALA 340 Ca 0.02 0.61 0.07 0.00 0.00 0.00 0.00 53.44 54.14 1nr1 n ALA 340 Cb 0.51 -0.18 0.34 0.00 0.00 0.00 0.00 19.45 20.12 1nr1 n ALA 340 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nr1 n PRO 341 N -4.90 0.08 -0.18 0.00 -0.02 -1.26 -2.22 135.00 126.49 1nr1 n PRO 341 Ca 0.04 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1nr1 n PRO 341 Cb 0.22 -1.76 0.19 0.00 -0.02 0.00 0.00 33.50 32.13 1nr1 n PRO 341 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nr1 n ARG 342 N -1.93 2.35 -2.21 -0.52 1.74 0.72 -4.99 116.66 111.82 1nr1 n ARG 342 Ca -0.01 -2.14 -0.34 0.00 -0.77 0.00 0.00 57.85 54.59 1nr1 n ARG 342 Cb 0.03 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1nr1 n ARG 342 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nr1 s VAL 343 N -1.25 3.42 -0.14 1.55 -7.23 -0.94 -4.69 120.40 111.12 1nr1 s VAL 343 Ca 0.33 0.81 0.05 0.00 -1.81 0.00 0.00 61.98 61.37 1nr1 s VAL 343 Cb 0.19 -3.31 -0.12 0.00 0.56 0.00 0.00 36.38 33.70 1nr1 s VAL 343 CO 0.26 -0.26 -0.06 0.29 -0.31 0.00 0.00 175.10 175.02 1nr1 n LYS 344 N -1.52 1.10 -1.51 4.82 4.76 -1.25 -5.01 118.16 119.55 1nr1 n LYS 344 Ca 0.10 0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.22 1nr1 n LYS 344 Cb 0.52 -1.30 0.05 0.00 -1.84 0.00 0.00 35.03 32.46 1nr1 n LYS 344 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nr1 n ALA 345 N -2.73 -0.58 -0.02 7.82 0.00 -1.25 -4.68 120.51 119.06 1nr1 n ALA 345 Ca -0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1nr1 n ALA 345 Cb 0.83 -1.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 1nr1 n ALA 345 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nr1 n LYS 346 N -0.64 0.65 -4.87 0.00 4.76 0.44 -4.91 118.16 113.60 1nr1 n LYS 346 Ca 0.13 0.27 -0.33 0.00 -2.87 0.00 0.00 58.31 55.51 1nr1 n LYS 346 Cb 0.48 -1.76 -0.13 0.00 -1.84 0.00 0.00 35.03 31.77 1nr1 n LYS 346 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nr1 s ILE 347 N -2.59 3.10 -0.25 -0.18 1.01 0.43 -1.90 121.20 120.81 1nr1 s ILE 347 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1nr1 s ILE 347 Cb 0.08 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.38 1nr1 s ILE 347 CO 0.82 0.59 -0.10 -0.63 0.00 0.00 0.00 174.94 175.61 1nr1 s ILE 348 N -0.65 2.30 -0.60 2.92 -1.09 0.11 -1.31 121.20 122.88 1nr1 s ILE 348 Ca 0.10 -1.49 -0.08 0.00 -2.23 0.00 0.00 60.65 56.94 1nr1 s ILE 348 Cb -0.11 -2.29 0.16 0.00 -1.58 0.00 0.00 42.46 38.63 1nr1 s ILE 348 CO 0.01 0.04 0.47 0.00 -1.23 0.00 0.00 174.94 174.23 1nr1 s ALA 349 N 1.15 3.61 -0.73 9.38 0.00 -0.01 0.40 121.76 135.56 1nr1 s ALA 349 Ca -0.06 -2.94 -0.26 0.00 0.00 0.00 0.00 51.96 48.70 1nr1 s ALA 349 Cb -0.19 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1nr1 s ALA 349 CO -0.05 -2.05 2.24 -1.21 0.00 0.00 0.00 175.76 174.69 1nr1 s GLU 350 N 0.65 2.03 -0.52 0.00 2.02 -0.89 -3.61 118.70 118.39 1nr1 s GLU 350 Ca 0.12 0.52 0.02 0.00 0.02 0.00 0.00 54.97 55.65 1nr1 s GLU 350 Cb -0.21 -4.76 0.59 0.00 0.10 0.00 0.00 34.13 29.85 1nr1 s GLU 350 CO -0.03 -3.77 1.94 0.41 0.02 0.00 0.00 175.26 173.83 1nr1 n GLY 351 N 6.53 5.02 3.42 -1.39 0.00 -1.02 -4.23 105.19 113.51 1nr1 n GLY 351 Ca 0.40 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1nr1 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 352 N -3.49 -1.47 0.19 4.61 0.00 -1.18 -4.62 121.76 115.80 1nr1 s ALA 352 Ca 0.59 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 1nr1 s ALA 352 Cb 0.49 0.60 -0.08 0.00 0.00 0.00 0.00 23.12 24.13 1nr1 s ALA 352 CO 0.06 -0.63 0.98 -0.80 0.00 0.00 0.00 175.76 175.38 1nr1 s ASN 353 N -2.32 7.51 -1.30 0.00 0.01 -1.26 -4.20 114.94 113.38 1nr1 s ASN 353 Ca -0.02 1.95 -0.25 0.00 -0.71 0.00 0.00 52.86 53.83 1nr1 s ASN 353 Cb -0.00 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.08 1nr1 s ASN 353 CO -0.07 0.00 0.52 0.61 -1.51 0.00 0.00 177.10 176.66 1nr1 n GLY 354 N 1.79 -0.65 0.19 0.66 0.00 -1.26 -4.67 105.19 101.24 1nr1 n GLY 354 Ca 0.00 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.45 1nr1 n GLY 354 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nr1 n PRO 355 N -4.89 0.77 -3.74 1.61 -0.04 -1.26 0.03 135.00 127.48 1nr1 n PRO 355 Ca -0.17 -0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 62.74 1nr1 n PRO 355 Cb 0.60 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.40 1nr1 n PRO 355 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nr1 s THR 356 N -2.49 -0.05 0.93 0.52 -1.32 -1.26 -0.53 115.64 111.44 1nr1 s THR 356 Ca 0.26 0.30 -0.10 0.00 -1.21 0.00 0.00 61.69 60.94 1nr1 s THR 356 Cb 0.20 -0.15 0.15 0.00 -1.51 0.00 0.00 72.50 71.19 1nr1 s THR 356 CO 0.50 0.14 1.13 0.42 -2.21 0.00 0.00 174.62 174.60 1nr1 s THR 357 N 1.62 2.19 0.42 5.08 -4.23 -1.15 -4.82 115.64 114.76 1nr1 s THR 357 Ca -0.02 0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1nr1 s THR 357 Cb -0.13 -2.14 0.18 0.00 1.34 0.00 0.00 72.50 71.75 1nr1 s THR 357 CO -0.03 -0.08 1.97 -0.65 -0.54 0.00 0.00 174.62 175.28 1nr1 h PRO 358 N -1.89 0.15 0.00 3.99 0.11 -2.00 -1.77 132.00 130.59 1nr1 h PRO 358 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1nr1 h PRO 358 Cb 1.27 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1nr1 h PRO 358 CO 0.44 0.28 -0.35 0.93 -0.21 0.00 0.00 178.00 179.09 1nr1 h GLU 359 N 0.14 0.00 0.00 1.05 4.39 -1.95 -2.81 114.58 115.41 1nr1 h GLU 359 Ca 0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1nr1 h GLU 359 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1nr1 h GLU 359 CO 0.02 0.35 -0.52 0.00 -1.16 0.00 0.00 179.01 177.70 1nr1 h ALA 360 N 1.65 0.76 -0.43 3.43 0.00 -1.66 -2.97 119.26 120.04 1nr1 h ALA 360 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1nr1 h ALA 360 Cb 1.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1nr1 h ALA 360 CO 0.05 0.29 -0.07 -0.44 0.00 0.00 0.00 179.25 179.07 1nr1 h ASP 361 N 0.00 0.81 -0.21 0.00 3.32 -1.10 -2.29 116.42 116.95 1nr1 h ASP 361 Ca -0.02 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1nr1 h ASP 361 Cb 1.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1nr1 h ASP 361 CO 0.02 0.97 0.11 0.11 -1.72 0.00 0.00 179.24 178.74 1nr1 h LYS 362 N 0.64 0.29 0.12 3.56 1.79 -1.48 0.38 116.57 121.89 1nr1 h LYS 362 Ca 0.11 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1nr1 h LYS 362 Cb 0.60 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1nr1 h LYS 362 CO 0.04 0.27 -0.43 0.82 -1.08 0.00 0.00 179.45 179.07 1nr1 h ILE 363 N 0.23 0.00 -0.88 1.86 5.03 -1.44 -1.09 117.51 121.23 1nr1 h ILE 363 Ca 0.07 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.98 1nr1 h ILE 363 Cb 0.07 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.76 1nr1 h ILE 363 CO -0.01 0.00 0.45 -0.26 -0.68 0.00 0.00 178.15 177.65 1nr1 h PHE 364 N -0.63 0.78 -0.38 1.37 0.04 -1.24 0.23 116.94 117.11 1nr1 h PHE 364 Ca -0.01 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1nr1 h PHE 364 Cb 0.62 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1nr1 h PHE 364 CO -0.41 0.14 0.14 1.25 -0.60 0.00 0.00 178.31 178.83 1nr1 h LEU 365 N 0.59 0.48 0.52 1.54 6.46 -0.20 -0.10 115.31 124.60 1nr1 h LEU 365 Ca 0.50 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 58.18 1nr1 h LEU 365 Cb 0.77 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1nr1 h LEU 365 CO -0.40 0.45 -0.25 -0.33 -0.62 0.00 0.00 178.44 177.29 1nr1 h GLU 366 N 0.53 -0.67 -1.99 1.25 5.08 0.64 -3.21 114.58 116.21 1nr1 h GLU 366 Ca 0.13 0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.29 1nr1 h GLU 366 Cb 0.13 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1nr1 h GLU 366 CO -0.01 -0.40 -0.20 2.89 -1.00 0.00 0.00 179.01 180.29 1nr1 n ARG 367 N -5.25 2.04 -2.28 2.33 1.85 -0.47 -4.85 116.66 110.02 1nr1 n ARG 367 Ca -0.10 -1.24 0.00 0.00 -1.00 0.00 0.00 57.85 55.51 1nr1 n ARG 367 Cb 0.30 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 1nr1 n ARG 367 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nr1 n ASN 368 N 2.09 0.00 -4.12 2.89 3.02 -1.02 -4.90 115.26 113.23 1nr1 n ASN 368 Ca 0.42 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.64 1nr1 n ASN 368 Cb 0.82 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.84 1nr1 n ASN 368 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nr1 s ILE 369 N -2.15 2.46 -0.03 2.41 -1.09 -0.08 -4.86 121.20 117.87 1nr1 s ILE 369 Ca 0.00 -1.43 -0.30 0.00 -2.23 0.00 0.00 60.65 56.69 1nr1 s ILE 369 Cb 0.00 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1nr1 s ILE 369 CO 0.00 0.03 1.18 -0.32 -1.23 0.00 0.00 174.94 174.60 1nr1 s MET 370 N 1.18 4.39 -0.29 2.79 1.75 -0.80 -4.37 119.30 123.95 1nr1 s MET 370 Ca -0.06 1.67 -0.04 0.00 -1.25 0.00 0.00 55.69 56.02 1nr1 s MET 370 Cb -0.19 -3.50 0.03 0.00 2.84 0.00 0.00 34.83 34.01 1nr1 s MET 370 CO -0.05 -0.37 0.02 0.08 -0.65 0.00 0.00 175.02 174.05 1nr1 s VAL 371 N 1.85 3.30 -0.53 10.11 1.01 -1.25 0.07 120.40 134.97 1nr1 s VAL 371 Ca 0.56 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1nr1 s VAL 371 Cb -0.25 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1nr1 s VAL 371 CO 0.24 0.00 1.02 -0.63 0.00 0.00 0.00 175.10 175.73 1nr1 s ILE 372 N 1.35 4.30 0.40 2.22 1.01 0.16 -4.28 121.20 126.37 1nr1 s ILE 372 Ca -0.01 0.64 -0.22 0.00 0.00 0.00 0.00 60.65 61.05 1nr1 s ILE 372 Cb -0.18 -4.56 -0.14 0.00 0.01 0.00 0.00 42.46 37.58 1nr1 s ILE 372 CO -0.01 -1.09 0.34 -2.65 0.00 0.00 0.00 174.94 171.54 1nr1 n PRO 373 N 7.66 0.28 -0.02 2.79 -0.02 -1.26 -2.09 135.00 142.34 1nr1 n PRO 373 Ca 0.05 0.10 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1nr1 n PRO 373 Cb 0.48 -1.26 -0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1nr1 n PRO 373 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nr1 h ASP 374 N 0.59 0.78 -0.97 2.55 -0.00 -1.86 0.73 116.42 118.25 1nr1 h ASP 374 Ca -0.38 -0.45 0.22 0.00 -0.00 0.00 0.00 57.03 56.42 1nr1 h ASP 374 Cb 1.42 -0.23 -0.08 0.00 -0.00 0.00 0.00 39.33 40.44 1nr1 h ASP 374 CO 0.50 1.21 0.63 0.25 -0.00 0.00 0.00 179.24 181.83 1nr1 h LEU 375 N 0.51 0.50 0.00 0.15 5.85 -1.92 -3.06 115.31 117.34 1nr1 h LEU 375 Ca -0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1nr1 h LEU 375 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1nr1 h LEU 375 CO 0.12 0.16 -0.90 0.00 -0.34 0.00 0.00 178.44 177.48 1nr1 n TYR 376 N -4.60 0.09 -0.33 1.25 4.19 -1.07 -4.51 117.16 112.19 1nr1 n TYR 376 Ca 0.22 0.04 0.22 0.00 3.31 0.00 0.00 57.90 61.70 1nr1 n TYR 376 Cb 0.73 -0.50 0.49 0.00 0.49 0.00 0.00 39.34 40.55 1nr1 n TYR 376 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nr1 h LEU 377 N -0.95 0.48 -3.46 2.98 5.85 0.45 -1.79 115.31 118.87 1nr1 h LEU 377 Ca 0.00 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1nr1 h LEU 377 Cb 0.90 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.85 1nr1 h LEU 377 CO 0.00 0.07 0.09 -0.46 -0.34 0.00 0.00 178.44 177.80 1nr1 n ASN 378 N -4.69 3.41 0.00 1.25 2.04 -1.16 -2.87 115.26 113.23 1nr1 n ASN 378 Ca 0.26 -3.45 0.06 0.00 -0.44 0.00 0.00 54.58 51.01 1nr1 n ASN 378 Cb 0.88 -0.65 0.34 0.00 -2.53 0.00 0.00 39.78 37.82 1nr1 n ASN 378 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nr1 n ALA 379 N -0.80 2.43 -0.18 -2.53 0.00 -0.67 -3.81 120.51 114.95 1nr1 n ALA 379 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 1nr1 n ALA 379 Cb 1.13 -1.19 0.16 0.00 0.00 0.00 0.00 19.45 19.55 1nr1 n ALA 379 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nr1 h GLY 380 N 4.83 1.00 0.80 0.00 0.00 -1.81 -1.52 103.07 106.36 1nr1 h GLY 380 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1nr1 h GLY 380 CO 0.00 0.52 -0.24 -1.33 0.00 0.00 0.00 176.54 175.49 1nr1 h GLY 381 N 1.02 0.50 0.44 4.60 0.00 -1.81 0.16 103.07 107.98 1nr1 h GLY 381 Ca 0.20 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 47.03 1nr1 h GLY 381 CO -0.01 0.50 -0.16 -2.08 0.00 0.00 0.00 176.54 174.79 1nr1 h VAL 382 N 0.09 0.58 -0.33 4.60 2.07 -1.80 -0.03 116.25 121.43 1nr1 h VAL 382 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1nr1 h VAL 382 Cb 0.81 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1nr1 h VAL 382 CO 0.06 0.00 -0.47 0.74 0.02 0.00 0.00 177.57 177.92 1nr1 h THR 383 N -0.20 0.00 0.00 2.57 2.02 -1.09 0.11 112.91 116.33 1nr1 h THR 383 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1nr1 h THR 383 Cb 0.34 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1nr1 h THR 383 CO -0.25 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.20 1nr1 h VAL 384 N -0.34 0.80 -0.18 3.16 2.07 -0.38 -0.43 116.25 120.95 1nr1 h VAL 384 Ca 0.06 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1nr1 h VAL 384 Cb 0.50 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1nr1 h VAL 384 CO -0.49 0.02 -0.26 0.77 0.02 0.00 0.00 177.57 177.63 1nr1 h SER 385 N 0.00 0.32 -0.11 0.57 4.64 0.12 0.30 113.55 119.39 1nr1 h SER 385 Ca -0.00 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1nr1 h SER 385 Cb 0.04 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1nr1 h SER 385 CO 0.00 0.58 0.06 0.22 -0.87 0.00 0.00 176.83 176.83 1nr1 h TYR 386 N 0.29 0.15 -0.25 4.77 -0.00 -0.00 0.20 116.97 122.14 1nr1 h TYR 386 Ca 0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.77 1nr1 h TYR 386 Cb 0.61 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 37.28 1nr1 h TYR 386 CO 0.01 0.17 0.13 0.74 -0.00 0.00 0.00 178.16 179.22 1nr1 h PHE 387 N 0.09 0.32 0.00 -3.82 0.05 -0.93 0.11 116.94 112.76 1nr1 h PHE 387 Ca 0.04 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 1nr1 h PHE 387 Cb 0.07 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 37.91 1nr1 h PHE 387 CO -0.04 0.23 -0.00 1.49 -0.18 0.00 0.00 178.31 179.80 1nr1 h GLU 388 N 0.34 -0.00 -0.87 1.51 4.81 0.14 -1.22 114.58 119.27 1nr1 h GLU 388 Ca 0.09 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 1nr1 h GLU 388 Cb 0.01 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 1nr1 h GLU 388 CO -0.02 0.43 0.56 2.35 -0.73 0.00 0.00 179.01 181.61 1nr1 h TRP 389 N -0.44 0.77 0.00 0.92 7.01 0.10 -1.74 115.95 122.57 1nr1 h TRP 389 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1nr1 h TRP 389 Cb 0.43 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1nr1 h TRP 389 CO 0.08 0.29 0.00 1.28 -2.79 0.00 0.00 178.44 177.29 1nr1 n LEU 390 N -4.55 0.63 0.00 0.65 4.77 0.32 -2.81 117.00 116.02 1nr1 n LEU 390 Ca 0.17 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1nr1 n LEU 390 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1nr1 n LEU 390 CO 0.30 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.53 1nr1 n LYS 391 N -0.39 0.00 -0.12 3.23 4.81 -0.49 0.42 118.16 125.62 1nr1 n LYS 391 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1nr1 n LYS 391 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1nr1 n LYS 391 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1nr1 h ASN 392 N 0.00 0.66 -0.20 3.14 2.35 -1.30 0.11 115.58 120.33 1nr1 h ASN 392 Ca 0.00 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1nr1 h ASN 392 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1nr1 h ASN 392 CO 0.00 0.83 0.01 -0.07 -1.65 0.00 0.00 177.43 176.56 1nr1 h LEU 393 N 0.46 0.33 0.00 1.61 3.38 0.85 -2.83 115.31 119.12 1nr1 h LEU 393 Ca 0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1nr1 h LEU 393 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1nr1 h LEU 393 CO 0.03 0.54 0.00 0.59 0.09 0.00 0.00 178.44 179.69 1nr1 n ASN 394 N -4.71 0.00 -3.55 -0.43 3.02 -0.80 -4.90 115.26 103.89 1nr1 n ASN 394 Ca -0.04 0.41 -0.26 0.00 -0.03 0.00 0.00 54.58 54.66 1nr1 n ASN 394 Cb 0.21 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.94 1nr1 n ASN 394 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nr1 n HIS 395 N -1.46 -2.06 -3.62 3.10 8.25 0.01 -4.97 115.22 114.47 1nr1 n HIS 395 Ca 0.05 0.68 -0.10 0.00 -0.26 0.00 0.00 57.72 58.09 1nr1 n HIS 395 Cb 0.19 -3.72 -0.06 0.00 1.12 0.00 0.00 29.99 27.52 1nr1 n HIS 395 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1nr1 s VAL 396 N -3.14 0.00 0.19 1.59 -7.23 -1.20 -5.08 120.40 105.53 1nr1 s VAL 396 Ca 0.50 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.37 1nr1 s VAL 396 Cb -0.25 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.60 1nr1 s VAL 396 CO 0.62 0.00 1.36 -0.94 -0.31 0.00 0.00 175.10 175.83 1nr1 s SER 397 N -0.24 6.83 0.77 4.85 1.04 -1.26 -4.80 113.70 120.89 1nr1 s SER 397 Ca 0.01 2.44 -0.15 0.00 0.48 0.00 0.00 55.95 58.73 1nr1 s SER 397 Cb -0.03 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.50 1nr1 s SER 397 CO -0.03 -0.60 0.87 -1.22 0.98 0.00 0.00 173.24 173.24 1nr1 n TYR 398 N 2.93 0.25 0.00 5.02 4.02 -1.26 -1.77 117.16 126.35 1nr1 n TYR 398 Ca 0.08 0.37 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 1nr1 n TYR 398 Cb 0.42 -2.02 0.00 0.00 -0.02 0.00 0.00 39.34 37.72 1nr1 n TYR 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nr1 n GLY 399 N 1.12 2.12 0.31 2.72 0.00 -1.26 -4.25 105.19 105.94 1nr1 n GLY 399 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1nr1 n GLY 399 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nr1 h ARG 400 N 0.82 0.11 -0.37 1.61 9.65 -1.73 -2.12 114.38 122.35 1nr1 h ARG 400 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1nr1 h ARG 400 Cb 0.00 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1nr1 h ARG 400 CO 0.00 0.08 0.00 1.28 2.80 0.00 0.00 179.97 184.13 1nr1 n LEU 401 N -5.34 3.71 0.00 3.80 4.77 -1.26 -4.70 117.00 117.98 1nr1 n LEU 401 Ca 0.19 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1nr1 n LEU 401 Cb 0.63 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nr1 n LEU 401 CO 0.02 0.72 -0.23 0.35 -1.33 0.00 0.00 177.39 176.92 1nr1 n THR 402 N 0.21 0.00 -0.06 -5.08 -2.24 -0.84 -4.76 114.28 101.51 1nr1 n THR 402 Ca 0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1nr1 n THR 402 Cb 0.72 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1nr1 n THR 402 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nr1 h PHE 403 N 0.00 -0.74 0.00 4.78 0.05 -1.73 0.83 116.94 120.13 1nr1 h PHE 403 Ca 0.00 0.04 -0.06 0.00 3.82 0.00 0.00 57.97 61.78 1nr1 h PHE 403 Cb 0.27 0.37 -0.01 0.00 2.00 0.00 0.00 35.95 38.58 1nr1 h PHE 403 CO 0.00 -0.35 -0.26 -0.22 -0.18 0.00 0.00 178.31 177.30 1nr1 h LYS 404 N -0.27 0.00 0.16 1.51 1.63 -1.90 -0.04 116.57 117.66 1nr1 h LYS 404 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1nr1 h LYS 404 Cb 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1nr1 h LYS 404 CO -0.43 0.26 -0.08 -0.92 -3.45 0.00 0.00 179.45 174.84 1nr1 h TYR 405 N 0.00 -0.21 -1.07 1.91 3.20 -1.64 -2.46 116.97 116.72 1nr1 h TYR 405 Ca -0.00 -0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.15 1nr1 h TYR 405 Cb 0.92 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 1nr1 h TYR 405 CO 0.00 0.19 0.70 1.49 -1.64 0.00 0.00 178.16 178.91 1nr1 h GLU 406 N -0.92 0.30 0.18 1.82 4.81 0.83 0.32 114.58 121.92 1nr1 h GLU 406 Ca -0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1nr1 h GLU 406 Cb 0.49 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1nr1 h GLU 406 CO 0.04 0.20 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.34 1nr1 h ARG 407 N 0.31 -0.23 -0.75 1.92 2.43 -0.98 -1.91 114.38 115.16 1nr1 h ARG 407 Ca 0.59 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.94 1nr1 h ARG 407 Cb 1.67 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 31.16 1nr1 h ARG 407 CO -0.24 0.11 0.22 -0.44 -1.51 0.00 0.00 179.97 178.10 1nr1 h ASP 408 N -0.61 0.09 0.00 -3.80 3.45 0.04 -2.53 116.42 113.06 1nr1 h ASP 408 Ca -0.02 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1nr1 h ASP 408 Cb 0.45 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1nr1 h ASP 408 CO 0.04 -0.01 0.00 -1.20 -1.57 0.00 0.00 179.24 176.50 1nr1 n SER 409 N -5.12 0.00 0.00 6.45 7.64 -0.13 -2.60 113.62 119.86 1nr1 n SER 409 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1nr1 n SER 409 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1nr1 n SER 409 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nr1 n ASN 410 N 0.00 0.00 -0.31 6.43 5.03 -0.74 0.25 115.26 125.92 1nr1 n ASN 410 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1nr1 n ASN 410 Cb 0.00 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 38.94 1nr1 n ASN 410 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1nr1 h TYR 411 N 0.00 1.12 0.27 3.10 0.99 -1.35 0.07 116.97 121.17 1nr1 h TYR 411 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1nr1 h TYR 411 Cb 0.00 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.34 1nr1 h TYR 411 CO 0.00 0.68 -0.20 0.45 -0.00 0.00 0.00 178.16 179.09 1nr1 h HIS 412 N 1.18 -0.52 -0.48 4.88 3.86 0.36 1.09 115.15 125.53 1nr1 h HIS 412 Ca 0.35 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.65 1nr1 h HIS 412 Cb -0.05 0.19 -0.10 0.00 1.06 0.00 0.00 27.41 28.51 1nr1 h HIS 412 CO -0.00 -0.30 -0.26 -0.07 0.86 0.00 0.00 177.93 178.15 1nr1 h LEU 413 N -0.47 -0.90 -1.08 2.43 -0.00 -1.28 0.19 115.31 114.20 1nr1 h LEU 413 Ca -0.02 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1nr1 h LEU 413 Cb 0.41 0.46 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1nr1 h LEU 413 CO 0.00 -0.28 0.00 -0.07 -0.00 0.00 0.00 178.44 178.10 1nr1 h LEU 414 N -0.16 0.00 0.00 1.67 3.38 -0.17 -2.13 115.31 117.90 1nr1 h LEU 414 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1nr1 h LEU 414 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nr1 h LEU 414 CO -0.57 0.00 -0.58 0.80 0.09 0.00 0.00 178.44 178.18 1nr1 n MET 415 N -2.75 0.14 -0.07 1.13 1.56 0.37 -2.95 117.12 114.55 1nr1 n MET 415 Ca 0.01 0.03 -0.09 0.00 -0.27 0.00 0.00 57.70 57.39 1nr1 n MET 415 Cb 0.29 -1.58 -0.05 0.00 2.15 0.00 0.00 33.22 34.02 1nr1 n MET 415 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 1nr1 h SER 416 N 0.00 0.00 -0.92 6.12 0.02 -0.13 -2.30 113.55 116.34 1nr1 h SER 416 Ca 0.00 -0.31 0.27 0.00 -0.84 0.00 0.00 61.79 60.91 1nr1 h SER 416 Cb 0.62 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1nr1 h SER 416 CO 0.00 0.88 0.68 0.58 -1.14 0.00 0.00 176.83 177.83 1nr1 h VAL 417 N -1.00 0.50 0.00 2.27 2.07 -1.52 0.61 116.25 119.18 1nr1 h VAL 417 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1nr1 h VAL 417 Cb 0.62 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1nr1 h VAL 417 CO -0.04 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.22 1nr1 n GLN 418 N -4.19 0.00 -0.25 1.57 7.27 -1.15 -2.28 117.38 118.34 1nr1 n GLN 418 Ca 0.19 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.35 1nr1 n GLN 418 Cb 1.00 -0.60 0.19 0.00 2.41 0.00 0.00 30.24 33.24 1nr1 n GLN 418 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1nr1 n GLU 419 N -0.45 -0.06 -0.30 3.69 1.02 -0.86 0.86 120.64 124.54 1nr1 n GLU 419 Ca 0.00 1.08 0.02 0.00 -0.02 0.00 0.00 57.16 58.24 1nr1 n GLU 419 Cb 0.00 -1.69 0.16 0.00 -0.02 0.00 0.00 31.44 29.89 1nr1 n GLU 419 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1nr1 h SER 420 N 0.00 0.74 -0.28 1.62 0.02 0.11 -2.37 113.55 113.39 1nr1 h SER 420 Ca 0.41 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 61.23 1nr1 h SER 420 Cb 0.82 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1nr1 h SER 420 CO -0.68 0.44 -0.50 -0.07 -1.14 0.00 0.00 176.83 174.87 1nr1 h LEU 421 N 0.86 0.93 0.00 5.07 4.07 0.91 -3.04 115.31 124.10 1nr1 h LEU 421 Ca 0.40 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1nr1 h LEU 421 Cb 0.31 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1nr1 h LEU 421 CO -0.22 1.28 0.00 -0.62 -1.08 0.00 0.00 178.44 177.79 1nr1 n GLU 422 N -4.07 0.21 -2.34 1.13 1.02 -0.73 -1.31 120.64 114.56 1nr1 n GLU 422 Ca -0.04 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 1nr1 n GLU 422 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1nr1 n GLU 422 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nr1 n ARG 423 N -1.01 3.26 -2.49 3.49 1.74 -1.15 -3.87 116.66 116.63 1nr1 n ARG 423 Ca 0.05 -4.25 -0.03 0.00 -0.77 0.00 0.00 57.85 52.85 1nr1 n ARG 423 Cb 0.02 -2.26 0.09 0.00 -1.02 0.00 0.00 32.46 29.30 1nr1 n ARG 423 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nr1 n LYS 424 N -0.48 0.98 0.00 5.56 4.81 -0.43 -5.02 118.16 123.59 1nr1 n LYS 424 Ca 0.43 -1.12 0.00 0.00 -0.87 0.00 0.00 58.31 56.75 1nr1 n LYS 424 Cb 0.53 0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.77 1nr1 n LYS 424 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nr1 n PHE 425 N -0.95 0.00 -1.50 5.64 -0.00 -1.26 -5.06 117.46 114.33 1nr1 n PHE 425 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.93 1nr1 n PHE 425 Cb 0.79 0.00 -0.16 0.00 -0.00 0.00 0.00 39.48 40.11 1nr1 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr1 n GLY 426 N 0.00 -0.49 3.50 7.13 0.00 -1.26 -4.80 105.19 109.27 1nr1 n GLY 426 Ca 0.00 1.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.94 1nr1 n GLY 426 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nr1 s LYS 427 N 8.86 1.05 -0.40 1.61 2.47 -1.25 -5.08 119.74 127.00 1nr1 s LYS 427 Ca 1.36 0.05 0.11 0.00 -1.56 0.00 0.00 55.97 55.92 1nr1 s LYS 427 Cb -1.23 0.49 0.35 0.00 -1.46 0.00 0.00 37.83 35.99 1nr1 s LYS 427 CO 0.50 -0.37 0.77 -2.39 0.16 0.00 0.00 175.35 174.02 1nr1 n HIS 428 N 0.52 0.84 0.00 4.03 1.44 -1.26 -4.81 115.22 115.98 1nr1 n HIS 428 Ca -0.17 -3.81 0.00 0.00 -2.01 0.00 0.00 57.72 51.72 1nr1 n HIS 428 Cb 0.59 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.27 1nr1 n HIS 428 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nr1 n GLY 429 N 0.18 1.44 0.00 -1.39 0.00 -1.26 -5.10 105.19 99.07 1nr1 n GLY 429 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nr1 n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr1 n GLY 430 N 0.00 0.00 3.74 -0.02 0.00 -1.26 -4.32 105.19 103.33 1nr1 n GLY 430 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nr1 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nr1 s THR 431 N 0.00 2.02 -0.64 2.61 2.01 -1.26 -4.96 115.64 115.42 1nr1 s THR 431 Ca 0.00 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1nr1 s THR 431 Cb 0.00 -3.01 0.21 0.00 0.01 0.00 0.00 72.50 69.71 1nr1 s THR 431 CO 0.00 0.00 0.60 -0.38 -0.69 0.00 0.00 174.62 174.15 1nr1 n ILE 432 N 2.66 1.60 -0.02 1.82 5.41 -1.26 -4.88 119.36 124.69 1nr1 n ILE 432 Ca 0.10 -4.87 -0.13 0.00 1.00 0.00 0.00 62.75 58.85 1nr1 n ILE 432 Cb 0.37 -2.10 -0.10 0.00 -0.71 0.00 0.00 39.64 37.10 1nr1 n ILE 432 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1nr1 h PRO 433 N 4.76 -0.01 0.00 0.38 0.11 -1.92 -3.30 132.00 132.02 1nr1 h PRO 433 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1nr1 h PRO 433 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1nr1 h PRO 433 CO 0.73 0.53 0.00 0.44 -0.21 0.00 0.00 178.00 179.49 1nr1 n ILE 434 N -4.83 0.00 -2.15 4.15 -5.35 -1.18 -4.03 119.36 105.96 1nr1 n ILE 434 Ca -0.09 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.97 1nr1 n ILE 434 Cb 0.28 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.15 1nr1 n ILE 434 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nr1 s VAL 435 N -2.44 3.74 0.61 7.28 0.11 -1.24 -4.92 120.40 123.54 1nr1 s VAL 435 Ca 0.00 0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 59.96 1nr1 s VAL 435 Cb 0.00 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1nr1 s VAL 435 CO 0.00 -0.06 0.94 -2.84 -3.33 0.00 0.00 175.10 169.82 1nr1 s PRO 436 N 3.40 2.96 0.57 1.54 0.02 -1.26 -5.05 135.00 137.19 1nr1 s PRO 436 Ca 0.67 0.14 -0.18 0.00 0.02 0.00 0.00 61.00 61.65 1nr1 s PRO 436 Cb -0.31 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1nr1 s PRO 436 CO 0.26 -0.75 1.09 0.95 -0.33 0.00 0.00 177.00 178.22 1nr1 s THR 437 N -3.07 3.45 0.09 0.99 -4.23 -1.26 -4.78 115.64 106.83 1nr1 s THR 437 Ca 0.55 0.79 -0.24 0.00 -1.18 0.00 0.00 61.69 61.61 1nr1 s THR 437 Cb -0.11 -3.29 -0.09 0.00 1.34 0.00 0.00 72.50 70.35 1nr1 s THR 437 CO 0.47 -0.31 1.39 0.00 -0.54 0.00 0.00 174.62 175.63 1nr1 h ALA 438 N 0.79 -0.73 -1.33 3.99 0.00 -1.97 0.14 119.26 120.14 1nr1 h ALA 438 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nr1 h ALA 438 Cb 1.24 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1nr1 h ALA 438 CO 0.57 -0.88 0.00 0.39 0.00 0.00 0.00 179.25 179.33 1nr1 n GLU 439 N -4.59 0.00 -0.48 0.00 4.71 -1.26 0.20 120.64 119.22 1nr1 n GLU 439 Ca -0.04 0.46 0.42 0.00 -0.01 0.00 0.00 57.16 57.99 1nr1 n GLU 439 Cb 0.26 -0.79 0.71 0.00 -1.01 0.00 0.00 31.44 30.60 1nr1 n GLU 439 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1nr1 h PHE 440 N 0.00 0.00 0.00 -0.32 -0.00 -1.73 1.59 116.94 116.49 1nr1 h PHE 440 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1nr1 h PHE 440 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1nr1 h PHE 440 CO -0.22 0.00 -0.20 0.37 -0.00 0.00 0.00 178.31 178.26 1nr1 h GLN 441 N 0.00 0.00 0.11 1.11 5.75 0.50 -2.13 115.11 120.45 1nr1 h GLN 441 Ca 0.73 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.99 1nr1 h GLN 441 Cb 3.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 31.74 1nr1 h GLN 441 CO -0.01 0.00 -1.14 -0.44 -2.65 0.00 0.00 178.83 174.59 1nr1 h ASP 442 N 0.00 0.37 -0.88 -0.69 3.45 0.42 -2.96 116.42 116.14 1nr1 h ASP 442 Ca 0.00 -0.87 -0.00 0.00 0.43 0.00 0.00 57.03 56.59 1nr1 h ASP 442 Cb 0.79 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.40 1nr1 h ASP 442 CO 0.00 1.51 0.54 -0.09 -1.57 0.00 0.00 179.24 179.63 1nr1 h ARG 443 N -0.40 1.18 0.30 3.56 2.43 -1.43 0.13 114.38 120.15 1nr1 h ARG 443 Ca -0.24 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1nr1 h ARG 443 Cb 1.66 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1nr1 h ARG 443 CO 0.07 0.82 -0.14 0.82 -1.51 0.00 0.00 179.97 180.03 1nr1 h ILE 444 N 1.21 0.00 0.00 1.20 2.04 -1.49 -2.58 117.51 117.89 1nr1 h ILE 444 Ca 0.32 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1nr1 h ILE 444 Cb -0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1nr1 h ILE 444 CO -0.06 0.00 0.04 -1.20 0.00 0.00 0.00 178.15 176.93 1nr1 n SER 445 N -3.25 0.46 -0.99 1.72 7.64 -1.12 -1.91 113.62 116.16 1nr1 n SER 445 Ca -0.05 0.70 -0.01 0.00 1.01 0.00 0.00 58.87 60.52 1nr1 n SER 445 Cb 0.16 -0.75 0.20 0.00 -1.01 0.00 0.00 64.21 62.81 1nr1 n SER 445 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nr1 n GLY 446 N -1.32 4.92 3.77 0.23 0.00 0.46 -5.01 105.19 108.24 1nr1 n GLY 446 Ca -0.01 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 1nr1 n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 447 N -3.22 3.38 -0.01 4.61 0.00 -0.81 -4.94 121.76 120.77 1nr1 s ALA 447 Ca 0.43 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.56 1nr1 s ALA 447 Cb 0.39 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 20.04 1nr1 s ALA 447 CO -0.01 -1.07 0.97 -1.54 0.00 0.00 0.00 175.76 174.11 1nr1 s SER 448 N -0.39 -0.28 0.36 0.00 1.04 -1.26 -5.04 113.70 108.12 1nr1 s SER 448 Ca 0.57 -0.07 0.14 0.00 0.48 0.00 0.00 55.95 57.07 1nr1 s SER 448 Cb -0.44 0.35 1.00 0.00 0.10 0.00 0.00 66.02 67.03 1nr1 s SER 448 CO 0.58 -0.58 1.75 -0.08 0.98 0.00 0.00 173.24 175.89 1nr1 h GLU 449 N 2.00 0.47 0.00 4.02 4.81 -1.92 -0.54 114.58 123.41 1nr1 h GLU 449 Ca -0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1nr1 h GLU 449 Cb 1.23 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1nr1 h GLU 449 CO 0.29 0.31 -0.01 1.57 -0.73 0.00 0.00 179.01 180.44 1nr1 h LYS 450 N 0.48 0.00 0.27 1.92 2.10 -1.94 -1.05 116.57 118.36 1nr1 h LYS 450 Ca 0.62 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.26 1nr1 h LYS 450 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1nr1 h LYS 450 CO -0.39 0.01 -0.13 -0.44 -2.00 0.00 0.00 179.45 176.50 1nr1 h ASP 451 N 0.00 -0.31 -0.87 7.07 3.32 -1.44 0.59 116.42 124.79 1nr1 h ASP 451 Ca -0.00 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.05 1nr1 h ASP 451 Cb 0.01 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1nr1 h ASP 451 CO 0.00 -0.17 0.57 0.40 -1.72 0.00 0.00 179.24 178.32 1nr1 h ILE 452 N -0.42 1.14 0.01 0.35 1.08 -1.33 -0.33 117.51 118.01 1nr1 h ILE 452 Ca -0.04 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1nr1 h ILE 452 Cb 0.32 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 1nr1 h ILE 452 CO 0.06 0.20 -0.01 0.58 -0.69 0.00 0.00 178.15 178.29 1nr1 h VAL 453 N 1.08 1.35 -0.14 1.67 2.07 -0.94 -1.47 116.25 119.87 1nr1 h VAL 453 Ca 0.35 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1nr1 h VAL 453 Cb 0.03 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1nr1 h VAL 453 CO -0.10 0.29 0.09 0.45 0.02 0.00 0.00 177.57 178.32 1nr1 h HIS 454 N -0.51 0.11 0.66 1.57 3.86 0.44 0.95 115.15 122.24 1nr1 h HIS 454 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1nr1 h HIS 454 Cb 0.49 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.93 1nr1 h HIS 454 CO 0.09 0.07 -0.32 1.03 0.86 0.00 0.00 177.93 179.66 1nr1 h SER 455 N 0.11 -0.75 -1.16 2.45 0.87 -0.90 -1.75 113.55 112.42 1nr1 h SER 455 Ca 0.06 0.03 0.34 0.00 -1.23 0.00 0.00 61.79 60.98 1nr1 h SER 455 Cb 0.09 0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.14 1nr1 h SER 455 CO -0.01 -0.47 0.75 1.23 -0.53 0.00 0.00 176.83 177.80 1nr1 h GLY 456 N -1.03 1.18 1.10 5.77 0.00 -0.38 0.45 103.07 110.15 1nr1 h GLY 456 Ca -0.09 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1nr1 h GLY 456 CO 0.15 -0.23 -0.43 -2.00 0.00 0.00 0.00 176.54 174.03 1nr1 h LEU 457 N 0.25 0.93 -0.65 3.11 6.46 -0.67 -2.39 115.31 122.36 1nr1 h LEU 457 Ca 0.68 -0.50 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1nr1 h LEU 457 Cb 1.97 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 41.61 1nr1 h LEU 457 CO -0.33 1.25 0.29 0.00 -0.62 0.00 0.00 178.44 179.03 1nr1 h ALA 458 N 0.72 0.84 -0.02 1.25 0.00 0.73 0.20 119.26 122.98 1nr1 h ALA 458 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1nr1 h ALA 458 Cb 1.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1nr1 h ALA 458 CO 0.10 0.42 -0.39 -0.92 0.00 0.00 0.00 179.25 178.46 1nr1 h TYR 459 N 0.90 0.03 0.07 0.00 5.03 -1.00 -1.43 116.97 120.58 1nr1 h TYR 459 Ca 0.22 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.43 1nr1 h TYR 459 Cb 0.15 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.43 1nr1 h TYR 459 CO 0.01 0.41 -0.40 1.15 -1.32 0.00 0.00 178.16 178.00 1nr1 h THR 460 N 0.03 1.66 -0.95 1.81 2.02 -0.90 -2.37 112.91 114.20 1nr1 h THR 460 Ca -0.00 -2.44 0.02 0.00 0.77 0.00 0.00 66.41 64.76 1nr1 h THR 460 Cb 0.70 3.30 -0.05 0.00 -1.74 0.00 0.00 68.15 70.36 1nr1 h THR 460 CO 0.05 0.66 0.63 0.24 0.37 0.00 0.00 175.52 177.47 1nr1 h MET 461 N -0.69 1.21 0.00 6.66 2.86 -0.99 -0.35 114.93 123.63 1nr1 h MET 461 Ca -0.07 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1nr1 h MET 461 Cb 1.32 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1nr1 h MET 461 CO 0.08 0.80 0.00 -1.91 1.06 0.00 0.00 176.91 176.93 1nr1 n GLU 462 N -4.41 0.00 -0.27 1.72 2.13 -0.54 -1.44 120.64 117.83 1nr1 n GLU 462 Ca 0.12 0.33 0.08 0.00 0.66 0.00 0.00 57.16 58.35 1nr1 n GLU 462 Cb 0.06 -1.23 0.16 0.00 0.27 0.00 0.00 31.44 30.70 1nr1 n GLU 462 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nr1 n ALA 463 N -1.49 0.28 -0.22 4.31 0.00 -0.89 0.83 120.51 123.33 1nr1 n ALA 463 Ca 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 53.44 54.18 1nr1 n ALA 463 Cb 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 19.45 18.94 1nr1 n ALA 463 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nr1 h SER 464 N 0.00 1.01 -0.01 0.00 0.02 -1.07 -1.01 113.55 112.49 1nr1 h SER 464 Ca 0.41 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1nr1 h SER 464 Cb 0.74 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1nr1 h SER 464 CO -0.74 1.03 -0.38 0.00 -1.14 0.00 0.00 176.83 175.59 1nr1 h ALA 465 N 1.02 -0.59 -0.98 3.77 0.00 0.16 0.51 119.26 123.15 1nr1 h ALA 465 Ca 0.19 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1nr1 h ALA 465 Cb 0.46 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1nr1 h ALA 465 CO 0.02 -0.91 0.61 0.00 0.00 0.00 0.00 179.25 178.96 1nr1 h ARG 466 N -0.54 0.94 -0.18 0.00 3.08 -1.17 0.14 114.38 116.66 1nr1 h ARG 466 Ca 0.05 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1nr1 h ARG 466 Cb 0.62 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1nr1 h ARG 466 CO -0.31 0.62 -0.34 1.96 -1.07 0.00 0.00 179.97 180.83 1nr1 h GLN 467 N 0.97 0.37 0.00 0.04 4.20 0.35 0.32 115.11 121.36 1nr1 h GLN 467 Ca 0.48 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1nr1 h GLN 467 Cb 0.46 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1nr1 h GLN 467 CO -0.26 0.67 0.00 0.82 -0.67 0.00 0.00 178.83 179.39 1nr1 h ILE 468 N 0.32 0.00 0.00 2.54 2.04 0.24 -2.01 117.51 120.64 1nr1 h ILE 468 Ca 0.04 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1nr1 h ILE 468 Cb 0.76 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1nr1 h ILE 468 CO 0.06 0.00 -0.33 0.24 0.00 0.00 0.00 178.15 178.12 1nr1 h MET 469 N 0.00 0.00 -0.46 2.37 2.86 -0.34 -3.06 114.93 116.30 1nr1 h MET 469 Ca 0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 1nr1 h MET 469 Cb 0.80 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1nr1 h MET 469 CO 0.00 0.47 0.54 -0.09 1.06 0.00 0.00 176.91 178.89 1nr1 h ARG 470 N -1.00 0.00 0.01 1.72 2.43 -0.34 0.13 114.38 117.33 1nr1 h ARG 470 Ca -0.06 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 1nr1 h ARG 470 Cb 0.62 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1nr1 h ARG 470 CO -0.04 0.00 -1.43 1.15 -1.51 0.00 0.00 179.97 178.14 1nr1 h THR 471 N 0.00 1.19 -0.33 0.20 2.02 -1.47 -2.13 112.91 112.39 1nr1 h THR 471 Ca 0.22 -2.98 -0.01 0.00 0.77 0.00 0.00 66.41 64.41 1nr1 h THR 471 Cb 1.30 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 70.29 1nr1 h THR 471 CO -0.00 0.69 0.16 0.00 0.37 0.00 0.00 175.52 176.74 1nr1 h ALA 472 N 0.96 0.43 0.47 6.16 0.00 -0.64 -1.47 119.26 125.16 1nr1 h ALA 472 Ca -0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1nr1 h ALA 472 Cb 1.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1nr1 h ALA 472 CO 0.10 -0.01 -0.22 0.52 0.00 0.00 0.00 179.25 179.64 1nr1 h MET 473 N 0.40 -0.60 -0.89 0.00 2.07 -1.47 0.62 114.93 115.06 1nr1 h MET 473 Ca 0.11 0.04 0.23 0.00 -2.07 0.00 0.00 59.70 58.02 1nr1 h MET 473 Cb 0.12 0.14 -0.16 0.00 -1.87 0.00 0.00 31.60 29.83 1nr1 h MET 473 CO -0.01 -0.35 0.07 -0.22 1.07 0.00 0.00 176.91 177.46 1nr1 h LYS 474 N -0.73 0.08 -0.24 1.72 3.64 -1.23 0.18 116.57 120.00 1nr1 h LYS 474 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1nr1 h LYS 474 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1nr1 h LYS 474 CO 0.11 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 178.00 1nr1 n TYR 475 N -5.38 0.29 -3.38 1.91 4.01 -0.57 -4.99 117.16 109.06 1nr1 n TYR 475 Ca 0.20 -0.15 -0.17 0.00 -0.16 0.00 0.00 57.90 57.63 1nr1 n TYR 475 Cb 0.65 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.76 1nr1 n TYR 475 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1nr1 n ASN 476 N 1.34 -3.65 -4.88 7.72 5.15 0.17 -5.03 115.26 116.07 1nr1 n ASN 476 Ca 0.17 -0.66 -0.28 0.00 -0.60 0.00 0.00 54.58 53.22 1nr1 n ASN 476 Cb 0.58 -5.12 -0.04 0.00 -0.53 0.00 0.00 39.78 34.67 1nr1 n ASN 476 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nr1 s LEU 477 N -6.03 4.12 0.00 1.20 1.43 0.15 -5.00 118.68 114.56 1nr1 s LEU 477 Ca 0.16 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1nr1 s LEU 477 Cb -0.02 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1nr1 s LEU 477 CO 0.74 0.09 0.00 0.61 0.23 0.00 0.00 176.35 178.02 1nr1 n GLY 478 N -0.21 0.72 0.90 -3.19 0.00 -1.26 -4.53 105.19 97.62 1nr1 n GLY 478 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1nr1 n GLY 478 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nr1 n LEU 479 N 0.00 2.62 -3.57 0.99 4.32 -1.26 -4.60 117.00 115.50 1nr1 n LEU 479 Ca 0.00 -1.31 -0.41 0.00 -0.02 0.00 0.00 56.01 54.27 1nr1 n LEU 479 Cb 0.00 -0.33 -0.01 0.00 -1.62 0.00 0.00 43.42 41.46 1nr1 n LEU 479 CO 0.00 0.64 2.96 -0.67 -1.22 0.00 0.00 177.39 179.10 1nr1 n ASP 480 N 0.89 5.83 0.05 -1.43 -0.08 -1.26 -3.92 116.55 116.63 1nr1 n ASP 480 Ca 0.16 -2.74 0.03 0.00 -1.51 0.00 0.00 54.79 50.73 1nr1 n ASP 480 Cb 0.42 -1.62 0.42 0.00 2.34 0.00 0.00 41.12 42.68 1nr1 n ASP 480 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nr1 h LEU 481 N 8.76 0.37 0.00 -2.67 -0.00 -1.81 -2.96 115.31 117.00 1nr1 h LEU 481 Ca 0.69 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.54 1nr1 h LEU 481 Cb 0.50 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1nr1 h LEU 481 CO 1.84 0.35 0.00 -1.14 -0.00 0.00 0.00 178.44 179.49 1nr1 n ARG 482 N -4.41 0.00 -0.34 1.13 0.63 -1.26 -0.15 116.66 112.26 1nr1 n ARG 482 Ca 0.01 0.41 0.21 0.00 -0.92 0.00 0.00 57.85 57.56 1nr1 n ARG 482 Cb 0.14 -1.23 0.45 0.00 0.45 0.00 0.00 32.46 32.27 1nr1 n ARG 482 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1nr1 h THR 483 N 0.00 0.51 -0.18 5.15 1.35 -1.97 1.99 112.91 119.76 1nr1 h THR 483 Ca 0.00 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1nr1 h THR 483 Cb 0.00 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.40 1nr1 h THR 483 CO 0.00 0.09 0.12 0.00 -0.25 0.00 0.00 175.52 175.47 1nr1 h ALA 484 N 1.68 1.90 -0.01 6.62 0.00 -1.29 0.11 119.26 128.28 1nr1 h ALA 484 Ca 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1nr1 h ALA 484 Cb 1.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nr1 h ALA 484 CO -0.40 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 178.88 1nr1 h ALA 485 N 1.89 0.01 -0.59 0.00 0.00 0.66 -2.19 119.26 119.04 1nr1 h ALA 485 Ca 0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1nr1 h ALA 485 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nr1 h ALA 485 CO -0.01 -0.11 0.22 1.88 0.00 0.00 0.00 179.25 181.22 1nr1 h TYR 486 N -0.63 0.87 -0.63 0.00 0.05 -0.76 0.19 116.97 116.06 1nr1 h TYR 486 Ca -0.00 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 1nr1 h TYR 486 Cb 0.73 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1nr1 h TYR 486 CO 0.17 0.69 0.09 0.28 -1.05 0.00 0.00 178.16 178.33 1nr1 h VAL 487 N 0.85 1.26 -0.67 -2.88 2.07 -0.88 0.16 116.25 116.17 1nr1 h VAL 487 Ca 0.20 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1nr1 h VAL 487 Cb 0.20 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1nr1 h VAL 487 CO -0.02 0.38 0.28 -1.13 0.02 0.00 0.00 177.57 177.11 1nr1 h ASN 488 N 0.97 0.88 0.36 0.57 -1.24 -0.61 -0.31 115.58 116.20 1nr1 h ASN 488 Ca 0.19 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1nr1 h ASN 488 Cb 0.45 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1nr1 h ASN 488 CO 0.01 0.78 -0.17 0.00 -1.29 0.00 0.00 177.43 176.76 1nr1 h ALA 489 N 1.35 -0.49 -0.89 1.57 0.00 -0.49 -2.96 119.26 117.35 1nr1 h ALA 489 Ca 0.23 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1nr1 h ALA 489 Cb 0.16 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1nr1 h ALA 489 CO -0.02 -0.55 0.48 0.82 0.00 0.00 0.00 179.25 179.97 1nr1 h ILE 490 N -0.93 0.72 -0.79 0.00 1.08 -0.49 0.16 117.51 117.26 1nr1 h ILE 490 Ca -0.05 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1nr1 h ILE 490 Cb 0.53 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 1nr1 h ILE 490 CO 0.08 0.12 0.52 -0.33 -0.69 0.00 0.00 178.15 177.85 1nr1 h GLU 491 N 0.66 0.94 0.40 2.37 5.08 -1.10 0.55 114.58 123.48 1nr1 h GLU 491 Ca 0.49 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1nr1 h GLU 491 Cb 0.72 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nr1 h GLU 491 CO -0.37 0.62 -0.19 0.87 -1.00 0.00 0.00 179.01 178.94 1nr1 h LYS 492 N 0.97 -0.51 0.24 2.33 1.57 -0.58 -1.43 116.57 119.16 1nr1 h LYS 492 Ca 0.31 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1nr1 h LYS 492 Cb 0.04 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1nr1 h LYS 492 CO -0.09 -0.20 -0.44 0.28 -0.57 0.00 0.00 179.45 178.43 1nr1 h VAL 493 N -0.90 0.13 -0.86 0.50 2.07 -0.98 -2.47 116.25 113.74 1nr1 h VAL 493 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1nr1 h VAL 493 Cb 0.55 0.13 -0.15 0.00 -1.52 0.00 0.00 31.29 30.30 1nr1 h VAL 493 CO 0.09 0.00 -0.33 0.15 0.02 0.00 0.00 177.57 177.50 1nr1 h PHE 494 N -0.75 -0.89 -0.61 1.57 3.57 -0.92 -0.06 116.94 118.85 1nr1 h PHE 494 Ca -0.01 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.71 1nr1 h PHE 494 Cb 0.73 0.52 -0.11 0.00 2.79 0.00 0.00 35.95 39.87 1nr1 h PHE 494 CO -0.32 -0.39 -0.09 -0.22 -2.23 0.00 0.00 178.31 175.05 1nr1 h LYS 495 N -0.04 0.04 -0.79 1.11 3.64 -0.79 0.57 116.57 120.30 1nr1 h LYS 495 Ca 0.34 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1nr1 h LYS 495 Cb 0.60 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1nr1 h LYS 495 CO -0.89 0.03 0.46 0.28 -2.27 0.00 0.00 179.45 177.05 1nr1 h VAL 496 N 0.04 1.23 -0.15 2.00 2.07 -0.79 0.18 116.25 120.82 1nr1 h VAL 496 Ca 0.31 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1nr1 h VAL 496 Cb 0.48 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1nr1 h VAL 496 CO -0.59 0.24 -0.24 1.88 0.02 0.00 0.00 177.57 178.89 1nr1 h TYR 497 N 1.10 0.53 -0.06 1.57 0.05 -0.51 -3.24 116.97 116.41 1nr1 h TYR 497 Ca 0.28 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1nr1 h TYR 497 Cb -0.01 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 1nr1 h TYR 497 CO 0.01 0.86 -0.02 -0.97 -1.05 0.00 0.00 178.16 176.99 1nr1 h ASN 498 N 0.05 0.07 -1.70 3.88 -0.00 0.83 -0.24 115.58 118.48 1nr1 h ASN 498 Ca 0.01 -0.00 -0.71 0.00 -0.00 0.00 0.00 56.30 55.60 1nr1 h ASN 498 Cb 0.81 -0.02 -0.22 0.00 -0.00 0.00 0.00 38.32 38.89 1nr1 h ASN 498 CO 0.05 0.10 1.12 -0.62 -0.00 0.00 0.00 177.43 178.09 1nr1 n GLU 499 N -4.47 3.65 0.00 6.67 1.02 0.54 -4.53 120.64 123.53 1nr1 n GLU 499 Ca -0.02 -3.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 1nr1 n GLU 499 Cb 0.13 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1nr1 n GLU 499 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nr1 n ALA 500 N 0.30 0.00 0.00 0.62 0.00 -1.03 -4.97 120.51 115.43 1nr1 n ALA 500 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1nr1 n ALA 500 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1nr1 n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr1 n GLY 501 N -0.14 -0.54 2.03 0.00 0.00 -0.13 -3.93 105.19 102.47 1nr1 n GLY 501 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1nr1 n GLY 501 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nr1 n VAL 502 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.64 118.33 114.28 1nr1 n VAL 502 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nr1 n VAL 502 Cb 0.00 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1nr1 n VAL 502 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nr1 n THR 503 N -3.50 0.00 -1.92 3.34 -2.24 -1.26 -4.49 114.28 104.21 1nr1 n THR 503 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1nr1 n THR 503 Cb 0.00 -0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.25 1nr1 n THR 503 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nr1 n PHE 504 N -0.38 3.04 0.64 4.78 3.01 -1.26 -5.24 117.46 122.05 1nr1 n PHE 504 Ca 0.00 -2.45 0.08 0.00 1.01 0.00 0.00 57.45 56.09 1nr1 n PHE 504 Cb 0.02 -1.11 0.06 0.00 -0.01 0.00 0.00 39.48 38.44 1nr1 n PHE 504 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40