#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 2.13 0.03 0.11 0.02 -1.26 -5.12 135.00 130.90 1nr1 s PRO 11 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 61.00 59.84 1nr1 s PRO 11 Cb 0.00 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 1nr1 s PRO 11 CO 0.00 -1.03 -0.09 0.54 -0.33 0.00 0.00 177.00 176.09 1nr1 s ASN 12 N -4.62 4.46 0.26 2.53 4.22 -1.26 -4.94 114.94 115.59 1nr1 s ASN 12 Ca 0.62 -0.23 0.18 0.00 -2.14 0.00 0.00 52.86 51.30 1nr1 s ASN 12 Cb -0.07 -0.97 0.90 0.00 1.28 0.00 0.00 41.25 42.40 1nr1 s ASN 12 CO 0.41 0.26 0.98 2.22 -2.04 0.00 0.00 177.10 178.92 1nr1 n PHE 13 N 1.41 0.53 0.24 1.54 1.16 -1.26 0.29 117.46 121.38 1nr1 n PHE 13 Ca -0.15 0.54 -0.16 0.00 -1.87 0.00 0.00 57.45 55.81 1nr1 n PHE 13 Cb 0.52 -0.94 -0.08 0.00 -1.61 0.00 0.00 39.48 37.38 1nr1 n PHE 13 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nr1 h PHE 14 N 0.00 -0.69 -0.31 2.97 3.57 -1.94 0.47 116.94 121.01 1nr1 h PHE 14 Ca 0.54 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 1nr1 h PHE 14 Cb 1.65 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.63 1nr1 h PHE 14 CO -0.00 -0.40 0.04 0.87 -2.23 0.00 0.00 178.31 176.59 1nr1 h LYS 15 N -0.64 0.52 0.00 1.11 1.79 -0.56 -0.45 116.57 118.33 1nr1 h LYS 15 Ca -0.04 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1nr1 h LYS 15 Cb 0.54 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1nr1 h LYS 15 CO 0.03 0.62 0.00 -1.33 -1.08 0.00 0.00 179.45 177.69 1nr1 n MET 16 N -4.61 0.00 -0.28 3.15 2.81 -0.66 0.52 117.12 118.06 1nr1 n MET 16 Ca -0.02 0.66 0.10 0.00 -1.81 0.00 0.00 57.70 56.62 1nr1 n MET 16 Cb 0.22 -1.49 0.25 0.00 -0.71 0.00 0.00 33.22 31.49 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 0.46 -0.56 2.03 2.07 -0.10 1.17 116.25 121.32 1nr1 h VAL 17 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1nr1 h VAL 17 Cb 0.00 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1nr1 h VAL 17 CO 0.00 0.06 0.37 -0.08 0.02 0.00 0.00 177.57 177.94 1nr1 h GLU 18 N 0.31 0.71 0.74 1.57 4.81 -0.71 0.69 114.58 122.69 1nr1 h GLU 18 Ca 0.49 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 1nr1 h GLU 18 Cb 0.91 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1nr1 h GLU 18 CO -0.55 0.47 -0.35 0.78 -0.73 0.00 0.00 179.01 178.63 1nr1 h GLY 19 N 0.73 -1.03 -0.98 1.92 0.00 0.66 -1.75 103.07 102.63 1nr1 h GLY 19 Ca 0.21 0.38 0.28 0.00 0.00 0.00 0.00 47.33 48.20 1nr1 h GLY 19 CO -0.05 -0.38 0.06 0.69 0.00 0.00 0.00 176.54 176.86 1nr1 n PHE 20 N -4.99 0.66 -0.08 5.60 0.99 -0.01 0.68 117.46 120.32 1nr1 n PHE 20 Ca -0.12 1.18 -0.12 0.00 -0.00 0.00 0.00 57.45 58.38 1nr1 n PHE 20 Cb 0.39 -1.26 -0.05 0.00 -1.00 0.00 0.00 39.48 37.56 1nr1 n PHE 20 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1nr1 h PHE 21 N 0.00 0.52 -0.34 1.38 3.57 -0.75 -2.65 116.94 118.67 1nr1 h PHE 21 Ca 0.61 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.92 1nr1 h PHE 21 Cb 1.29 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1nr1 h PHE 21 CO -0.46 0.71 -0.11 -0.44 -2.23 0.00 0.00 178.31 175.78 1nr1 h ASP 22 N 0.19 0.55 0.64 0.41 3.32 0.12 0.43 116.42 122.09 1nr1 h ASP 22 Ca 0.06 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1nr1 h ASP 22 Cb 0.55 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.96 1nr1 h ASP 22 CO 0.03 0.70 -0.31 -0.09 -1.72 0.00 0.00 179.24 177.85 1nr1 h ARG 23 N 0.53 -0.83 0.18 3.56 2.43 -0.67 -2.74 114.38 116.83 1nr1 h ARG 23 Ca 0.10 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1nr1 h ARG 23 Cb 0.50 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1nr1 h ARG 23 CO 0.03 -0.51 -0.20 0.78 -1.51 0.00 0.00 179.97 178.56 1nr1 h GLY 24 N -1.06 -0.96 -0.36 2.80 0.00 -1.37 -2.86 103.07 99.26 1nr1 h GLY 24 Ca -0.09 0.44 0.07 0.00 0.00 0.00 0.00 47.33 47.75 1nr1 h GLY 24 CO 0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 176.54 176.27 1nr1 n ALA 25 N -2.49 0.07 -0.12 3.60 0.00 0.15 0.19 120.51 121.90 1nr1 n ALA 25 Ca -0.04 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1nr1 n ALA 25 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 1nr1 n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nr1 h SER 26 N 0.00 0.80 -0.70 0.00 4.64 -1.27 -1.54 113.55 115.48 1nr1 h SER 26 Ca 0.17 -0.40 0.07 0.00 -0.47 0.00 0.00 61.79 61.15 1nr1 h SER 26 Cb 0.26 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1nr1 h SER 26 CO -0.37 1.03 0.46 0.40 -0.87 0.00 0.00 176.83 177.48 1nr1 h ILE 27 N 0.58 0.99 -0.05 0.95 2.04 0.23 -2.09 117.51 120.16 1nr1 h ILE 27 Ca 0.08 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1nr1 h ILE 27 Cb 0.73 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1nr1 h ILE 27 CO 0.05 0.12 -0.30 0.58 0.00 0.00 0.00 178.15 178.61 1nr1 h VAL 28 N 0.68 1.45 0.00 1.67 2.07 -1.23 -3.37 116.25 117.52 1nr1 h VAL 28 Ca 0.31 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1nr1 h VAL 28 Cb 0.33 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1nr1 h VAL 28 CO -0.10 0.50 0.00 1.21 0.02 0.00 0.00 177.57 179.20 1nr1 n GLU 29 N -4.45 0.00 -0.01 1.57 2.13 -0.59 0.93 120.64 120.21 1nr1 n GLU 29 Ca -0.09 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.73 1nr1 n GLU 29 Cb 0.50 -0.39 -0.00 0.00 0.27 0.00 0.00 31.44 31.82 1nr1 n GLU 29 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nr1 n ASP 30 N 0.00 -0.04 0.25 4.31 8.00 -1.23 0.58 116.55 128.43 1nr1 n ASP 30 Ca 0.00 0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 1nr1 n ASP 30 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 1nr1 n ASP 30 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nr1 h LYS 31 N 0.00 -0.66 -1.19 -1.24 1.79 -1.63 -2.63 116.57 111.01 1nr1 h LYS 31 Ca 0.01 0.04 0.34 0.00 -2.18 0.00 0.00 60.65 58.86 1nr1 h LYS 31 Cb 0.01 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 1nr1 h LYS 31 CO -0.03 -0.44 0.85 1.25 -1.08 0.00 0.00 179.45 180.00 1nr1 h LEU 32 N -0.68 0.03 0.00 2.94 5.85 0.61 -2.83 115.31 121.23 1nr1 h LEU 32 Ca -0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1nr1 h LEU 32 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1nr1 h LEU 32 CO 0.03 0.00 0.00 0.52 -0.34 0.00 0.00 178.44 178.65 1nr1 n VAL 33 N -4.21 0.00 0.00 1.05 0.31 -0.10 -4.20 118.33 111.18 1nr1 n VAL 33 Ca 0.26 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1nr1 n VAL 33 Cb 1.24 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 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 -0.10 0.00 -0.45 5.55 0.28 -1.07 -0.84 120.64 124.01 1nr1 n GLU 34 Ca 0.00 0.00 0.38 0.00 -0.16 0.00 0.00 57.16 57.38 1nr1 n GLU 34 Cb 0.00 0.00 0.62 0.00 1.43 0.00 0.00 31.44 33.49 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 0.00 0.17 0.16 -1.84 3.85 -1.25 0.19 116.55 117.83 1nr1 n ASP 35 Ca 0.00 1.21 0.05 0.00 -0.71 0.00 0.00 54.79 55.34 1nr1 n ASP 35 Cb 0.00 -0.59 0.06 0.00 -1.35 0.00 0.00 41.12 39.24 1nr1 n ASP 35 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1nr1 h LEU 36 N 0.00 0.00 0.00 -2.12 3.38 -1.70 -3.42 115.31 111.45 1nr1 h LEU 36 Ca 0.80 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.77 1nr1 h LEU 36 Cb 2.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.40 1nr1 h LEU 36 CO -0.37 0.35 0.00 -2.11 0.09 0.00 0.00 178.44 176.39 1nr1 n ARG 37 N -3.17 2.94 -1.35 1.13 -4.01 -0.81 -4.91 116.66 106.48 1nr1 n ARG 37 Ca 0.02 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.52 1nr1 n ARG 37 Cb 0.67 -0.25 -0.06 0.00 -3.04 0.00 0.00 32.46 29.78 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 0.00 4.05 -0.04 8.89 -1.04 0.51 -3.05 114.28 123.59 1nr1 n THR 38 Ca 0.00 -2.60 -0.03 0.00 -2.04 0.00 0.00 64.05 59.38 1nr1 n THR 38 Cb 0.00 -2.29 -0.09 0.00 -1.82 0.00 0.00 70.33 66.12 1nr1 n THR 38 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nr1 n ARG 39 N 2.80 1.65 -0.28 -2.82 1.74 -1.26 -4.45 116.66 114.04 1nr1 n ARG 39 Ca 0.65 -0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.77 1nr1 n ARG 39 Cb 0.44 -1.30 0.19 0.00 -1.02 0.00 0.00 32.46 30.77 1nr1 n ARG 39 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nr1 n GLU 40 N -2.31 2.71 -0.61 5.56 0.28 -1.17 -5.04 120.64 120.06 1nr1 n GLU 40 Ca -0.15 -2.47 -0.09 0.00 -0.16 0.00 0.00 57.16 54.29 1nr1 n GLU 40 Cb 0.74 -1.57 -0.09 0.00 1.43 0.00 0.00 31.44 31.96 1nr1 n GLU 40 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1nr1 n SER 41 N -0.33 -0.63 -4.61 -1.84 3.41 -1.26 -4.85 113.62 103.51 1nr1 n SER 41 Ca 0.16 -0.25 -0.39 0.00 -0.26 0.00 0.00 58.87 58.12 1nr1 n SER 41 Cb 0.67 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 1nr1 n SER 41 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nr1 s GLU 42 N 2.86 4.02 0.00 4.33 2.02 -1.26 -4.11 118.70 126.56 1nr1 s GLU 42 Ca 0.51 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.63 1nr1 s GLU 42 Cb -0.33 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.24 1nr1 s GLU 42 CO 0.22 -0.31 0.00 0.39 0.02 0.00 0.00 175.26 175.58 1nr1 n GLU 43 N 5.41 -0.87 -2.34 1.61 -0.58 -1.26 -2.90 120.64 119.71 1nr1 n GLU 43 Ca -0.07 0.22 -0.08 0.00 -0.42 0.00 0.00 57.16 56.81 1nr1 n GLU 43 Cb 0.50 -4.33 -0.01 0.00 -0.57 0.00 0.00 31.44 27.04 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 -0.82 -2.38 -0.41 3.49 -0.06 -1.26 -4.70 117.38 111.23 1nr1 n GLN 44 Ca 0.00 0.39 0.08 0.00 -2.00 0.00 0.00 57.00 55.47 1nr1 n GLN 44 Cb 0.22 -4.91 0.27 0.00 -4.06 0.00 0.00 30.24 21.76 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 -2.58 2.84 0.29 3.69 5.02 -1.14 -4.05 118.16 122.22 1nr1 n LYS 45 Ca -0.09 -2.18 0.15 0.00 -2.02 0.00 0.00 58.31 54.17 1nr1 n LYS 45 Cb 0.54 -1.64 0.90 0.00 -0.02 0.00 0.00 35.03 34.81 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 3.27 0.00 -0.14 1.97 2.47 -1.84 0.33 114.38 120.44 1nr1 h ARG 46 Ca 0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 1nr1 h ARG 46 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1nr1 h ARG 46 CO 0.12 0.00 -0.48 -0.97 0.56 0.00 0.00 179.97 179.20 1nr1 h ASN 47 N 0.00 0.66 -0.83 7.04 -1.24 -1.97 -3.18 115.58 116.05 1nr1 h ASN 47 Ca 0.01 -0.61 0.04 0.00 0.71 0.00 0.00 56.30 56.45 1nr1 h ASN 47 Cb 0.06 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 38.87 1nr1 h ASN 47 CO -0.00 1.15 0.55 -0.09 -1.29 0.00 0.00 177.43 177.75 1nr1 h ARG 48 N 0.20 0.99 0.00 6.67 2.43 -0.67 -0.74 114.38 123.25 1nr1 h ARG 48 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1nr1 h ARG 48 Cb 1.11 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1nr1 h ARG 48 CO 0.10 0.65 0.00 1.55 -1.51 0.00 0.00 179.97 180.76 1nr1 n VAL 49 N -4.45 1.24 0.51 0.20 3.14 -0.70 -1.97 118.33 116.30 1nr1 n VAL 49 Ca 0.11 0.38 0.03 0.00 -2.96 0.00 0.00 64.34 61.90 1nr1 n VAL 49 Cb 0.13 -1.27 0.18 0.00 -1.06 0.00 0.00 33.84 31.82 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 -1.75 0.25 0.23 1.45 1.85 -0.28 -2.19 116.66 116.23 1nr1 n ARG 50 Ca 0.02 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.02 1nr1 n ARG 50 Cb 0.12 -1.37 0.83 0.00 -1.05 0.00 0.00 32.46 30.99 1nr1 n ARG 50 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nr1 h GLY 51 N 1.34 0.00 0.24 2.89 0.00 -1.61 -2.01 103.07 103.92 1nr1 h GLY 51 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1nr1 h GLY 51 CO 0.00 0.00 -0.43 -2.22 0.00 0.00 0.00 176.54 173.89 1nr1 h ILE 52 N 0.00 0.14 -0.91 2.60 1.08 -1.73 -1.75 117.51 116.93 1nr1 h ILE 52 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 1nr1 h ILE 52 Cb 0.04 0.14 -0.13 0.00 -3.07 0.00 0.00 36.82 33.80 1nr1 h ILE 52 CO 0.00 0.00 -0.50 -0.07 -0.69 0.00 0.00 178.15 176.89 1nr1 h LEU 53 N -0.66 -1.81 -0.31 1.44 4.07 -1.65 0.27 115.31 116.67 1nr1 h LEU 53 Ca 0.02 0.31 0.03 0.00 0.08 0.00 0.00 57.88 58.32 1nr1 h LEU 53 Cb 0.69 0.84 -0.04 0.00 1.08 0.00 0.00 40.66 43.23 1nr1 h LEU 53 CO -0.26 -0.27 -0.24 0.03 -1.08 0.00 0.00 178.44 176.62 1nr1 h ARG 54 N -0.05 -0.07 -0.91 1.13 3.08 -1.44 0.16 114.38 116.27 1nr1 h ARG 54 Ca 0.22 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.53 1nr1 h ARG 54 Cb 0.50 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 30.41 1nr1 h ARG 54 CO -0.90 -0.05 0.18 0.82 -1.07 0.00 0.00 179.97 178.95 1nr1 h ILE 55 N -0.07 0.20 0.83 2.04 2.04 -0.27 -2.87 117.51 119.41 1nr1 h ILE 55 Ca 0.05 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1nr1 h ILE 55 Cb 0.20 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1nr1 h ILE 55 CO -0.33 0.02 -0.46 0.40 0.00 0.00 0.00 178.15 177.78 1nr1 h ILE 56 N 0.12 0.00 -0.87 -0.67 2.04 0.12 -3.35 117.51 114.90 1nr1 h ILE 56 Ca 0.58 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.57 1nr1 h ILE 56 Cb 1.21 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.15 1nr1 h ILE 56 CO -0.75 0.00 -0.34 1.17 0.00 0.00 0.00 178.15 178.23 1nr1 n LYS 57 N -5.39 -0.21 -2.27 2.37 4.81 -0.43 -4.56 118.16 112.48 1nr1 n LYS 57 Ca -0.15 1.33 -0.43 0.00 -0.87 0.00 0.00 58.31 58.20 1nr1 n LYS 57 Cb 0.48 -1.98 -0.02 0.00 0.02 0.00 0.00 35.03 33.53 1nr1 n LYS 57 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1nr1 s PRO 58 N -5.81 3.50 -0.16 1.64 0.04 -1.25 -4.97 135.00 127.99 1nr1 s PRO 58 Ca -0.12 1.04 -0.42 0.00 0.04 0.00 0.00 61.00 61.54 1nr1 s PRO 58 Cb 0.17 -4.07 -0.19 0.00 0.04 0.00 0.00 34.50 30.45 1nr1 s PRO 58 CO 0.62 -1.66 1.32 0.00 0.04 0.00 0.00 177.00 177.32 1nr1 h ASN 60 N 4.17 -0.16 -4.32 0.00 4.21 -1.25 -3.47 115.58 114.75 1nr1 h ASN 60 Ca -0.48 -0.36 -0.49 0.00 1.21 0.00 0.00 56.30 56.18 1nr1 h ASN 60 Cb 1.39 0.04 -0.23 0.00 -1.12 0.00 0.00 38.32 38.40 1nr1 h ASN 60 CO 0.79 0.33 -0.81 -1.00 -1.29 0.00 0.00 177.43 175.46 1nr1 s HIS 61 N -3.96 1.47 -0.14 1.19 3.76 -0.84 -5.01 115.29 111.76 1nr1 s HIS 61 Ca -0.14 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.27 1nr1 s HIS 61 Cb 0.01 -0.84 0.05 0.00 1.11 0.00 0.00 32.58 32.91 1nr1 s HIS 61 CO 0.56 0.10 0.35 0.54 -0.85 0.00 0.00 174.74 175.44 1nr1 s VAL 62 N -1.05 -0.02 -0.12 -0.90 0.11 -1.26 -0.05 120.40 117.10 1nr1 s VAL 62 Ca 0.03 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1nr1 s VAL 62 Cb -0.09 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1nr1 s VAL 62 CO 0.02 0.03 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.46 1nr1 s LEU 63 N 1.06 1.70 -0.14 2.54 2.96 -0.36 -4.98 118.68 121.45 1nr1 s LEU 63 Ca -0.07 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 1nr1 s LEU 63 Cb -0.07 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1nr1 s LEU 63 CO -0.08 -0.00 0.09 -0.44 -1.32 0.00 0.00 176.35 174.59 1nr1 s SER 64 N 1.11 5.93 -0.01 3.68 0.01 -1.26 -1.57 113.70 121.60 1nr1 s SER 64 Ca -0.04 0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 1nr1 s SER 64 Cb -0.14 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 1nr1 s SER 64 CO -0.04 0.32 0.04 -1.48 0.41 0.00 0.00 173.24 172.50 1nr1 s LEU 65 N -0.51 1.87 -0.69 2.44 2.34 0.31 -4.96 118.68 119.48 1nr1 s LEU 65 Ca 0.11 -0.03 0.05 0.00 0.06 0.00 0.00 54.13 54.32 1nr1 s LEU 65 Cb -0.12 0.19 0.20 0.00 -0.56 0.00 0.00 46.19 45.91 1nr1 s LEU 65 CO 0.02 -0.09 0.61 -1.54 -1.06 0.00 0.00 176.35 174.28 1nr1 n SER 66 N 2.67 3.38 -4.94 1.48 3.41 -1.26 -0.48 113.62 117.88 1nr1 n SER 66 Ca -0.15 -3.31 -0.24 0.00 -0.26 0.00 0.00 58.87 54.91 1nr1 n SER 66 Cb 0.59 -0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1nr1 n SER 66 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1nr1 s PHE 67 N -1.90 3.47 0.43 7.33 -0.12 -0.49 -4.72 117.98 121.98 1nr1 s PHE 67 Ca 0.31 0.33 0.05 0.00 -0.05 0.00 0.00 56.93 57.57 1nr1 s PHE 67 Cb 0.04 -1.94 0.01 0.00 -0.63 0.00 0.00 43.02 40.50 1nr1 s PHE 67 CO -0.10 0.07 0.60 -1.25 -0.05 0.00 0.00 175.22 174.49 1nr1 s PRO 68 N -4.34 2.91 0.05 1.99 0.04 -1.26 0.16 135.00 134.54 1nr1 s PRO 68 Ca 0.41 -0.93 -0.22 0.00 0.04 0.00 0.00 61.00 60.30 1nr1 s PRO 68 Cb -0.10 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1nr1 s PRO 68 CO 0.36 -0.26 0.52 0.96 0.04 0.00 0.00 177.00 178.62 1nr1 s ILE 69 N -2.42 0.03 -0.34 0.56 -4.36 -0.72 -4.87 121.20 109.08 1nr1 s ILE 69 Ca 0.51 -0.25 -0.10 0.00 -0.26 0.00 0.00 60.65 60.55 1nr1 s ILE 69 Cb -0.10 -0.98 0.01 0.00 1.25 0.00 0.00 42.46 42.64 1nr1 s ILE 69 CO 0.34 -0.14 0.17 -0.60 0.24 0.00 0.00 174.94 174.96 1nr1 s ARG 70 N -2.50 3.07 0.41 0.37 3.52 -1.26 -2.49 118.95 120.07 1nr1 s ARG 70 Ca -0.05 -0.91 -0.25 0.00 -0.13 0.00 0.00 55.73 54.40 1nr1 s ARG 70 Cb -0.01 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1nr1 s ARG 70 CO -0.02 -0.56 1.15 1.03 -0.81 0.00 0.00 175.30 176.10 1nr1 s ARG 71 N 1.58 4.03 0.55 5.12 0.52 -0.78 -4.87 118.95 125.10 1nr1 s ARG 71 Ca 0.03 1.79 0.35 0.00 -0.52 0.00 0.00 55.73 57.38 1nr1 s ARG 71 Cb -0.18 -2.63 1.19 0.00 0.52 0.00 0.00 34.95 33.85 1nr1 s ARG 71 CO 0.06 -0.32 1.32 -0.25 0.02 0.00 0.00 175.30 176.13 1nr1 n ASP 72 N -0.01 0.00 -0.65 0.23 9.92 -1.26 0.25 116.55 125.03 1nr1 n ASP 72 Ca 0.05 0.80 0.02 0.00 -0.53 0.00 0.00 54.79 55.14 1nr1 n ASP 72 Cb 0.47 -0.34 0.10 0.00 -0.64 0.00 0.00 41.12 40.71 1nr1 n ASP 72 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1nr1 n ASP 73 N -3.41 1.73 0.00 -2.24 5.68 -1.26 -4.88 116.55 112.18 1nr1 n ASP 73 Ca 0.31 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1nr1 n ASP 73 Cb 1.64 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 41.24 1nr1 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nr1 n GLY 74 N 0.44 2.87 3.70 6.12 0.00 0.14 -5.02 105.19 113.44 1nr1 n GLY 74 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 1.63 -0.10 1.61 1.04 -1.23 -4.78 113.70 109.88 1nr1 s SER 75 Ca 0.00 0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.96 1nr1 s SER 75 Cb 0.00 -0.70 0.02 0.00 0.10 0.00 0.00 66.02 65.44 1nr1 s SER 75 CO 0.00 -3.67 -0.11 0.26 0.98 0.00 0.00 173.24 170.69 1nr1 s TRP 76 N -3.29 1.62 0.07 5.02 0.51 -1.26 -1.86 118.94 119.76 1nr1 s TRP 76 Ca 0.72 -0.73 0.09 0.00 -2.12 0.00 0.00 56.10 54.06 1nr1 s TRP 76 Cb -0.08 -1.23 -0.03 0.00 -0.81 0.00 0.00 33.47 31.32 1nr1 s TRP 76 CO 0.55 -0.42 -0.23 -2.00 -0.51 0.00 0.00 176.95 174.34 1nr1 s GLU 77 N 1.12 1.42 -0.13 4.98 2.12 -1.04 -5.01 118.70 122.16 1nr1 s GLU 77 Ca -0.05 -1.11 -0.01 0.00 0.36 0.00 0.00 54.97 54.16 1nr1 s GLU 77 Cb -0.14 -1.65 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1nr1 s GLU 77 CO -0.02 0.41 -0.10 0.14 -0.54 0.00 0.00 175.26 175.15 1nr1 s VAL 78 N -0.94 3.34 -0.13 3.70 -7.23 -1.26 -1.75 120.40 116.13 1nr1 s VAL 78 Ca 0.09 -0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1nr1 s VAL 78 Cb -0.10 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1nr1 s VAL 78 CO 0.03 0.52 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.70 1nr1 s ILE 79 N 0.30 4.19 0.24 -0.62 1.09 0.41 -4.92 121.20 121.88 1nr1 s ILE 79 Ca -0.08 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.22 1nr1 s ILE 79 Cb -0.15 -2.81 -0.03 0.00 -1.06 0.00 0.00 42.46 38.40 1nr1 s ILE 79 CO 0.05 0.53 0.40 -1.83 -0.10 0.00 0.00 174.94 173.99 1nr1 s GLU 80 N -0.14 3.47 0.18 2.79 -1.05 -1.25 -1.40 118.70 121.30 1nr1 s GLU 80 Ca 0.04 -0.52 -0.24 0.00 -0.15 0.00 0.00 54.97 54.10 1nr1 s GLU 80 Cb -0.13 -2.84 0.05 0.00 -0.44 0.00 0.00 34.13 30.78 1nr1 s GLU 80 CO 0.02 0.38 0.89 0.20 0.95 0.00 0.00 175.26 177.70 1nr1 s GLY 81 N -3.64 -0.21 0.03 -3.83 0.00 0.37 -2.36 107.32 97.69 1nr1 s GLY 81 Ca 0.37 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 1nr1 s GLY 81 CO 0.30 -0.01 0.27 -0.19 0.00 0.00 0.00 173.10 173.47 1nr1 s TYR 82 N -3.45 -0.06 -0.13 1.90 1.51 0.11 -0.53 117.35 116.70 1nr1 s TYR 82 Ca 0.11 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1nr1 s TYR 82 Cb -0.03 0.05 0.06 0.00 -0.11 0.00 0.00 41.96 41.94 1nr1 s TYR 82 CO 0.03 -0.46 0.27 0.50 -1.11 0.00 0.00 175.55 174.78 1nr1 s ARG 83 N -2.39 0.18 0.28 -0.62 3.52 -0.61 -0.35 118.95 118.96 1nr1 s ARG 83 Ca -0.06 0.73 0.09 0.00 -0.13 0.00 0.00 55.73 56.36 1nr1 s ARG 83 Cb -0.02 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 1nr1 s ARG 83 CO -0.02 -0.26 0.05 0.00 -0.81 0.00 0.00 175.30 174.26 1nr1 s ALA 84 N 2.18 3.28 -0.28 6.12 0.00 0.47 -1.23 121.76 132.30 1nr1 s ALA 84 Ca -0.01 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 1nr1 s ALA 84 Cb -0.12 -0.82 0.09 0.00 0.00 0.00 0.00 23.12 22.27 1nr1 s ALA 84 CO -0.09 0.22 0.11 -0.65 0.00 0.00 0.00 175.76 175.35 1nr1 s GLN 85 N -3.73 0.39 0.13 0.00 -0.21 0.92 -0.96 119.66 116.20 1nr1 s GLN 85 Ca 0.33 -0.68 -0.17 0.00 0.02 0.00 0.00 55.36 54.86 1nr1 s GLN 85 Cb -0.06 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.37 1nr1 s GLN 85 CO 0.21 -0.96 1.72 1.25 -2.12 0.00 0.00 175.29 175.39 1nr1 h HIS 86 N 8.29 0.48 -3.44 0.91 -0.00 0.15 -2.19 115.15 119.34 1nr1 h HIS 86 Ca -0.17 -0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.06 1nr1 h HIS 86 Cb 1.03 -0.15 -0.19 0.00 -0.00 0.00 0.00 27.41 28.10 1nr1 h HIS 86 CO 0.30 0.40 -0.40 0.45 -0.00 0.00 0.00 177.93 178.68 1nr1 s SER 87 N -5.67 -0.01 -0.29 3.26 0.15 -1.21 -1.93 113.70 108.00 1nr1 s SER 87 Ca -0.13 -0.24 0.18 0.00 0.70 0.00 0.00 55.95 56.46 1nr1 s SER 87 Cb 0.10 0.27 0.48 0.00 -1.71 0.00 0.00 66.02 65.16 1nr1 s SER 87 CO 0.73 -0.48 1.09 0.00 1.20 0.00 0.00 173.24 175.77 1nr1 n GLN 88 N 1.01 2.01 0.00 5.44 3.00 -1.26 -3.90 117.38 123.68 1nr1 n GLN 88 Ca -0.20 -3.62 0.13 0.00 -0.01 0.00 0.00 57.00 53.29 1nr1 n GLN 88 Cb 0.57 -1.68 0.40 0.00 0.00 0.00 0.00 30.24 29.54 1nr1 n GLN 88 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1nr1 n HIS 89 N -0.49 0.00 -3.70 1.08 1.44 -1.26 -4.50 115.22 107.80 1nr1 n HIS 89 Ca 0.15 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.61 1nr1 n HIS 89 Cb 0.82 -0.22 -0.17 0.00 0.12 0.00 0.00 29.99 30.54 1nr1 n HIS 89 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1nr1 s ARG 90 N -2.74 0.38 0.00 -1.40 1.81 -1.26 -5.00 118.95 110.74 1nr1 s ARG 90 Ca 0.19 -0.12 -0.00 0.00 -1.72 0.00 0.00 55.73 54.08 1nr1 s ARG 90 Cb 0.19 -1.60 -0.00 0.00 -0.45 0.00 0.00 34.95 33.08 1nr1 s ARG 90 CO 0.58 -0.54 0.64 0.25 -0.68 0.00 0.00 175.30 175.55 1nr1 n THR 91 N 5.17 -0.01 -2.97 0.02 -2.24 -1.26 -2.81 114.28 110.18 1nr1 n THR 91 Ca -0.07 0.96 -0.39 0.00 -2.27 0.00 0.00 64.05 62.27 1nr1 n THR 91 Cb 0.49 -1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.05 4.59 0.19 -0.78 0.02 -1.25 -4.47 135.00 130.24 1nr1 s PRO 92 Ca -0.00 1.18 -0.19 0.00 0.02 0.00 0.00 61.00 62.01 1nr1 s PRO 92 Cb 0.00 -3.27 -0.08 0.00 0.02 0.00 0.00 34.50 31.18 1nr1 s PRO 92 CO 0.01 0.56 0.67 0.00 -0.33 0.00 0.00 177.00 177.91 1nr1 s LYS 94 N -1.84 2.03 -0.22 0.00 2.47 0.24 0.88 119.74 123.30 1nr1 s LYS 94 Ca 0.40 -0.73 -0.34 0.00 -1.56 0.00 0.00 55.97 53.74 1nr1 s LYS 94 Cb -0.17 -1.77 0.15 0.00 -1.46 0.00 0.00 37.83 34.58 1nr1 s LYS 94 CO 0.21 0.33 1.24 0.20 0.16 0.00 0.00 175.35 177.48 1nr1 s GLY 95 N -0.13 -0.20 0.62 5.54 0.00 -0.97 -1.88 107.32 110.30 1nr1 s GLY 95 Ca -0.02 1.95 -0.01 0.00 0.00 0.00 0.00 44.72 46.64 1nr1 s GLY 95 CO 0.02 0.72 0.87 -0.32 0.00 0.00 0.00 173.10 174.40 1nr1 s GLY 96 N -1.80 1.78 -0.23 0.20 0.00 -1.26 -1.31 107.32 104.70 1nr1 s GLY 96 Ca 0.08 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.53 1nr1 s GLY 96 CO -0.05 -0.92 -0.09 -0.42 0.00 0.00 0.00 173.10 171.62 1nr1 s ILE 97 N -2.95 1.76 -0.04 0.90 1.01 -0.51 -1.76 121.20 119.60 1nr1 s ILE 97 Ca 0.60 -1.28 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1nr1 s ILE 97 Cb -0.10 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1nr1 s ILE 97 CO 0.41 0.01 0.35 -0.60 0.00 0.00 0.00 174.94 175.11 1nr1 s ARG 98 N 1.31 3.87 -0.65 2.79 3.52 0.59 -4.00 118.95 126.38 1nr1 s ARG 98 Ca -0.05 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 1nr1 s ARG 98 Cb -0.18 -3.24 0.16 0.00 -1.56 0.00 0.00 34.95 30.13 1nr1 s ARG 98 CO -0.06 0.65 0.44 0.71 -0.81 0.00 0.00 175.30 176.23 1nr1 s TYR 99 N -0.89 3.45 -0.13 5.12 4.12 -1.26 0.21 117.35 127.97 1nr1 s TYR 99 Ca 0.22 -3.19 -0.13 0.00 0.02 0.00 0.00 57.07 53.98 1nr1 s TYR 99 Cb -0.15 -2.86 0.04 0.00 -1.52 0.00 0.00 41.96 37.46 1nr1 s TYR 99 CO 0.11 -0.67 0.38 0.45 0.02 0.00 0.00 175.55 175.84 1nr1 s SER 100 N -0.68 -0.38 -1.31 2.29 0.15 -0.41 -4.36 113.70 108.99 1nr1 s SER 100 Ca 0.21 0.71 -0.09 0.00 0.70 0.00 0.00 55.95 57.48 1nr1 s SER 100 Cb -0.14 0.73 -0.10 0.00 -1.71 0.00 0.00 66.02 64.80 1nr1 s SER 100 CO -0.09 -0.16 3.04 0.35 1.20 0.00 0.00 173.24 177.58 1nr1 n THR 101 N 2.72 4.15 -1.74 6.45 -2.24 -1.20 -2.21 114.28 120.21 1nr1 n THR 101 Ca -0.14 -2.53 0.00 0.00 -2.27 0.00 0.00 64.05 59.12 1nr1 n THR 101 Cb 0.57 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 1nr1 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nr1 n ASP 102 N 3.22 0.00 -4.76 3.42 5.68 -1.26 -4.98 116.55 117.87 1nr1 n ASP 102 Ca 0.71 -0.87 -0.41 0.00 -0.50 0.00 0.00 54.79 53.73 1nr1 n ASP 102 Cb 0.35 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1nr1 n ASP 102 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1nr1 s VAL 103 N 0.00 2.84 -0.19 2.12 -7.23 -0.94 -5.01 120.40 111.99 1nr1 s VAL 103 Ca 0.00 0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 60.92 1nr1 s VAL 103 Cb 0.00 -3.53 0.08 0.00 0.56 0.00 0.00 36.38 33.50 1nr1 s VAL 103 CO 0.00 0.19 0.42 -0.94 -0.31 0.00 0.00 175.10 174.45 1nr1 s SER 104 N -0.40 -0.33 0.06 4.85 1.04 -1.26 -4.89 113.70 112.78 1nr1 s SER 104 Ca 0.50 0.96 0.05 0.00 0.48 0.00 0.00 55.95 57.95 1nr1 s SER 104 Cb -0.39 1.17 0.20 0.00 0.10 0.00 0.00 66.02 67.10 1nr1 s SER 104 CO 0.50 -0.22 0.19 0.52 0.98 0.00 0.00 173.24 175.20 1nr1 n VAL 105 N 5.04 -0.01 0.06 5.02 0.31 -1.26 0.55 118.33 128.05 1nr1 n VAL 105 Ca -0.13 0.19 -0.05 0.00 -0.01 0.00 0.00 64.34 64.34 1nr1 n VAL 105 Cb 0.51 -0.32 -0.10 0.00 -0.91 0.00 0.00 33.84 33.03 1nr1 n VAL 105 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1nr1 h ASP 106 N 0.00 0.00 0.24 4.52 5.19 -1.98 -1.85 116.42 122.54 1nr1 h ASP 106 Ca 0.11 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1nr1 h ASP 106 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1nr1 h ASP 106 CO -0.02 0.90 -0.13 -0.08 -3.12 0.00 0.00 179.24 176.80 1nr1 h GLU 107 N 0.00 -0.32 0.00 3.56 4.81 1.39 -1.93 114.58 122.09 1nr1 h GLU 107 Ca -0.04 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nr1 h GLU 107 Cb 1.73 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1nr1 h GLU 107 CO 0.11 -0.21 0.00 1.33 -0.73 0.00 0.00 179.01 179.51 1nr1 n VAL 108 N -2.97 0.00 -0.14 0.32 0.24 -1.18 -1.14 118.33 113.47 1nr1 n VAL 108 Ca -0.04 1.43 0.13 0.00 -2.04 0.00 0.00 64.34 63.83 1nr1 n VAL 108 Cb 0.13 -2.18 0.24 0.00 -1.47 0.00 0.00 33.84 30.56 1nr1 n VAL 108 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1nr1 n LYS 109 N -2.27 -0.02 -0.04 7.34 5.02 -0.69 -1.01 118.16 126.48 1nr1 n LYS 109 Ca 0.00 0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1nr1 n LYS 109 Cb 0.00 -0.95 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.71 -0.04 -0.63 7.82 0.00 -0.29 -3.05 119.26 123.78 1nr1 h ALA 110 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nr1 h ALA 110 Cb 0.94 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1nr1 h ALA 110 CO -0.25 -0.08 0.34 -0.07 0.00 0.00 0.00 179.25 179.18 1nr1 h LEU 111 N -0.92 0.80 -1.95 0.00 3.38 -0.29 0.54 115.31 116.87 1nr1 h LEU 111 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1nr1 h LEU 111 Cb 0.71 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nr1 h LEU 111 CO 0.01 0.68 0.02 0.00 0.09 0.00 0.00 178.44 179.23 1nr1 h ALA 112 N 1.16 1.96 0.06 1.53 0.00 -1.29 0.60 119.26 123.28 1nr1 h ALA 112 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nr1 h ALA 112 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nr1 h ALA 112 CO -0.03 0.03 -0.03 1.03 0.00 0.00 0.00 179.25 180.25 1nr1 h SER 113 N 0.05 -0.07 -0.27 0.00 0.87 -1.08 -2.84 113.55 110.21 1nr1 h SER 113 Ca 0.01 -0.42 0.04 0.00 -1.23 0.00 0.00 61.79 60.19 1nr1 h SER 113 Cb 0.01 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1nr1 h SER 113 CO -0.00 0.40 -0.52 0.25 -0.53 0.00 0.00 176.83 176.43 1nr1 h LEU 114 N -0.56 -1.70 -0.95 2.23 5.85 0.12 -1.55 115.31 118.74 1nr1 h LEU 114 Ca -0.01 0.21 0.15 0.00 0.84 0.00 0.00 57.88 59.08 1nr1 h LEU 114 Cb 0.49 0.68 -0.16 0.00 0.37 0.00 0.00 40.66 42.04 1nr1 h LEU 114 CO 0.01 -0.41 -0.35 0.23 -0.34 0.00 0.00 178.44 177.58 1nr1 n MET 115 N -5.23 -0.20 -0.23 1.25 2.81 0.19 -0.37 117.12 115.35 1nr1 n MET 115 Ca -0.04 1.46 -0.05 0.00 -1.81 0.00 0.00 57.70 57.26 1nr1 n MET 115 Cb 0.34 -2.17 0.05 0.00 -0.71 0.00 0.00 33.22 30.73 1nr1 n MET 115 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1nr1 h THR 116 N 0.00 1.13 0.00 2.03 1.35 -1.03 -0.84 112.91 115.54 1nr1 h THR 116 Ca 0.35 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.87 1nr1 h THR 116 Cb 0.59 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 1nr1 h THR 116 CO -0.95 0.15 -0.26 1.88 -0.25 0.00 0.00 175.52 176.10 1nr1 h TYR 117 N 0.84 0.00 0.27 4.73 0.05 -0.48 -2.00 116.97 120.38 1nr1 h TYR 117 Ca 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 1nr1 h TYR 117 Cb -0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1nr1 h TYR 117 CO -0.04 0.26 -0.13 -0.22 -1.05 0.00 0.00 178.16 176.98 1nr1 h LYS 118 N 0.00 -0.35 -0.37 4.88 3.64 -0.08 -2.77 116.57 121.52 1nr1 h LYS 118 Ca -0.00 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1nr1 h LYS 118 Cb 0.60 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.41 1nr1 h LYS 118 CO 0.03 -0.01 -0.35 0.00 -2.27 0.00 0.00 179.45 176.85 1nr1 h ALA 120 N 0.63 1.24 0.24 0.00 0.00 -1.40 -0.89 119.26 119.08 1nr1 h ALA 120 Ca 0.15 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1nr1 h ALA 120 Cb 0.55 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1nr1 h ALA 120 CO -0.53 -0.42 -0.28 0.28 0.00 0.00 0.00 179.25 178.31 1nr1 h VAL 121 N 0.25 0.40 -1.40 0.00 2.07 -0.70 -2.11 116.25 114.77 1nr1 h VAL 121 Ca 0.53 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 67.43 1nr1 h VAL 121 Cb 1.02 0.40 -0.23 0.00 -1.52 0.00 0.00 31.29 30.97 1nr1 h VAL 121 CO -0.61 0.00 0.74 1.33 0.02 0.00 0.00 177.57 179.05 1nr1 n VAL 122 N -5.40 3.43 -3.72 2.57 0.24 -0.80 -4.77 118.33 109.88 1nr1 n VAL 122 Ca -0.08 -3.41 -0.03 0.00 -2.04 0.00 0.00 64.34 58.77 1nr1 n VAL 122 Cb 0.31 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 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 0.01 -0.29 -4.65 -1.34 8.00 -0.79 -4.92 116.55 112.56 1nr1 n ASP 123 Ca 0.51 -0.10 -0.35 0.00 0.71 0.00 0.00 54.79 55.57 1nr1 n ASP 123 Cb 0.43 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 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 -4.83 4.72 0.00 2.53 1.01 -0.41 -5.00 120.40 118.43 1nr1 s VAL 124 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1nr1 s VAL 124 Cb -0.02 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1nr1 s VAL 124 CO 0.07 0.50 0.83 -0.81 0.00 0.00 0.00 175.10 175.69 1nr1 n PRO 125 N 3.22 0.55 -4.20 2.72 -0.04 -1.26 -4.15 135.00 131.84 1nr1 n PRO 125 Ca -0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 1nr1 n PRO 125 Cb 0.53 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.68 2.72 0.09 0.54 2.99 -1.26 -4.28 117.98 119.45 1nr1 s PHE 126 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 56.93 56.63 1nr1 s PHE 126 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 43.02 41.55 1nr1 s PHE 126 CO 0.00 0.48 0.23 0.20 -0.00 0.00 0.00 175.22 176.12 1nr1 s GLY 127 N -3.77 2.05 0.04 4.36 0.00 -0.65 -4.69 107.32 104.66 1nr1 s GLY 127 Ca 0.35 -0.90 -0.23 0.00 0.00 0.00 0.00 44.72 43.94 1nr1 s GLY 127 CO 0.21 -0.89 0.68 -0.32 0.00 0.00 0.00 173.10 172.79 1nr1 s GLY 128 N -2.71 2.72 0.18 0.20 0.00 -1.25 0.83 107.32 107.29 1nr1 s GLY 128 Ca 0.35 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 1nr1 s GLY 128 CO 0.28 0.86 0.36 0.00 0.00 0.00 0.00 173.10 174.60 1nr1 s ALA 129 N -0.35 -0.25 0.08 3.20 0.00 -0.79 0.17 121.76 123.81 1nr1 s ALA 129 Ca 0.34 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 1nr1 s ALA 129 Cb -0.20 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1nr1 s ALA 129 CO 0.21 -0.70 0.76 0.21 0.00 0.00 0.00 175.76 176.24 1nr1 s LYS 130 N -3.95 1.06 0.06 0.00 2.47 -0.14 -3.71 119.74 115.54 1nr1 s LYS 130 Ca 0.15 -0.41 -0.09 0.00 -1.56 0.00 0.00 55.97 54.07 1nr1 s LYS 130 Cb 0.02 0.48 0.00 0.00 -1.46 0.00 0.00 37.83 36.87 1nr1 s LYS 130 CO -0.00 -0.47 0.18 0.00 0.16 0.00 0.00 175.35 175.23 1nr1 s ALA 131 N -3.42 -0.28 -0.03 3.13 0.00 -0.72 0.18 121.76 120.62 1nr1 s ALA 131 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1nr1 s ALA 131 Cb -0.01 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1nr1 s ALA 131 CO -0.10 -0.42 0.09 0.20 0.00 0.00 0.00 175.76 175.54 1nr1 s GLY 132 N -2.42 -0.05 -0.31 0.00 0.00 0.52 -0.30 107.32 104.76 1nr1 s GLY 132 Ca -0.01 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.93 1nr1 s GLY 132 CO -0.07 0.15 -0.00 0.14 0.00 0.00 0.00 173.10 173.32 1nr1 s VAL 133 N -0.14 2.47 -0.84 1.40 1.01 0.13 0.08 120.40 124.51 1nr1 s VAL 133 Ca -0.02 -1.89 -0.23 0.00 0.00 0.00 0.00 61.98 59.84 1nr1 s VAL 133 Cb -0.02 -2.60 -0.18 0.00 0.00 0.00 0.00 36.38 33.58 1nr1 s VAL 133 CO 0.00 -0.31 2.26 1.17 0.00 0.00 0.00 175.10 178.22 1nr1 n LYS 134 N 4.42 0.37 -3.58 2.72 4.81 -0.99 -2.98 118.16 122.92 1nr1 n LYS 134 Ca -0.06 -0.85 -0.16 0.00 -0.87 0.00 0.00 58.31 56.36 1nr1 n LYS 134 Cb 0.42 -3.24 -0.07 0.00 0.02 0.00 0.00 35.03 32.16 1nr1 n LYS 134 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1nr1 s ILE 135 N 12.59 0.00 -0.54 3.15 2.07 -1.24 -4.62 121.20 132.62 1nr1 s ILE 135 Ca 0.93 -0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 60.08 1nr1 s ILE 135 Cb -0.21 -0.98 0.14 0.00 0.13 0.00 0.00 42.46 41.54 1nr1 s ILE 135 CO 0.17 -0.01 0.39 0.21 -1.91 0.00 0.00 174.94 173.79 1nr1 s ASN 136 N -0.51 5.61 0.53 4.50 3.84 -1.26 -1.29 114.94 126.36 1nr1 s ASN 136 Ca -0.06 -2.25 0.45 0.00 0.21 0.00 0.00 52.86 51.20 1nr1 s ASN 136 Cb -0.02 -1.96 1.54 0.00 -0.55 0.00 0.00 41.25 40.26 1nr1 s ASN 136 CO 0.06 -0.57 1.44 -2.65 -2.79 0.00 0.00 177.10 172.58 1nr1 n PRO 137 N 4.40 0.00 0.02 0.43 -0.02 -1.26 0.59 135.00 139.15 1nr1 n PRO 137 Ca -0.01 1.01 -0.05 0.00 -2.02 0.00 0.00 63.50 62.43 1nr1 n PRO 137 Cb 0.41 -2.36 0.15 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.48 -0.92 -0.52 1.79 -1.95 -3.08 116.57 112.37 1nr1 h LYS 138 Ca 0.83 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 59.07 1nr1 h LYS 138 Cb 3.47 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 34.11 1nr1 h LYS 138 CO -0.01 0.78 0.01 0.09 -1.08 0.00 0.00 179.45 179.25 1nr1 n ASN 139 N -4.05 2.14 -3.83 0.86 3.02 0.20 -4.84 115.26 108.76 1nr1 n ASN 139 Ca -0.01 -2.21 -0.12 0.00 -0.03 0.00 0.00 54.58 52.20 1nr1 n ASN 139 Cb 0.48 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.31 -0.13 0.57 3.10 2.02 -1.17 -5.06 117.35 115.38 1nr1 s TYR 140 Ca 0.12 0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 56.95 1nr1 s TYR 140 Cb 0.09 0.04 -0.05 0.00 -0.40 0.00 0.00 41.96 41.64 1nr1 s TYR 140 CO 0.03 -0.08 1.11 -0.08 -1.57 0.00 0.00 175.55 174.96 1nr1 s THR 141 N -0.02 3.32 0.16 -0.71 -1.32 -1.26 -4.79 115.64 111.01 1nr1 s THR 141 Ca -0.01 0.75 -0.30 0.00 -1.21 0.00 0.00 61.69 60.92 1nr1 s THR 141 Cb -0.01 -3.28 -0.07 0.00 -1.51 0.00 0.00 72.50 67.63 1nr1 s THR 141 CO 0.00 -0.24 1.51 0.47 -2.21 0.00 0.00 174.62 174.15 1nr1 n ASP 142 N -1.58 -1.03 -0.28 8.08 8.00 -1.26 -0.17 116.55 128.32 1nr1 n ASP 142 Ca 0.11 1.74 -0.02 0.00 0.71 0.00 0.00 54.79 57.33 1nr1 n ASP 142 Cb 0.52 -0.23 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1nr1 n ASP 142 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1nr1 h ASN 143 N 0.00 -1.13 -0.62 -2.24 -0.73 -2.00 0.46 115.58 109.32 1nr1 h ASN 143 Ca 0.16 0.26 0.12 0.00 1.87 0.00 0.00 56.30 58.70 1nr1 h ASN 143 Cb 0.40 0.61 -0.04 0.00 0.27 0.00 0.00 38.32 39.56 1nr1 h ASN 143 CO -0.91 -0.29 0.42 -0.33 -0.37 0.00 0.00 177.43 175.95 1nr1 h GLU 144 N -0.07 0.34 -0.01 6.67 5.08 -0.91 -0.84 114.58 124.84 1nr1 h GLU 144 Ca 0.31 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 1nr1 h GLU 144 Cb 0.58 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1nr1 h GLU 144 CO -0.81 0.22 -0.58 -0.07 -1.00 0.00 0.00 179.01 176.78 1nr1 h LEU 145 N 0.35 0.02 0.31 1.33 3.38 0.71 -1.25 115.31 120.16 1nr1 h LEU 145 Ca 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1nr1 h LEU 145 Cb 0.68 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1nr1 h LEU 145 CO -0.08 0.59 -0.15 -0.08 0.09 0.00 0.00 178.44 178.81 1nr1 h GLU 146 N 0.01 -0.40 -0.79 1.13 4.81 -0.25 -1.87 114.58 117.23 1nr1 h GLU 146 Ca -0.01 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1nr1 h GLU 146 Cb 1.02 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.38 1nr1 h GLU 146 CO 0.08 -0.07 -0.56 0.87 -0.73 0.00 0.00 179.01 178.60 1nr1 h LYS 147 N -0.88 -0.13 -0.03 1.92 1.79 -1.21 0.76 116.57 118.78 1nr1 h LYS 147 Ca -0.04 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1nr1 h LYS 147 Cb 0.52 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 1nr1 h LYS 147 CO 0.07 -0.09 -0.18 0.82 -1.08 0.00 0.00 179.45 178.99 1nr1 h ILE 148 N -0.14 0.55 -0.73 1.86 2.04 -1.26 -1.73 117.51 118.10 1nr1 h ILE 148 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1nr1 h ILE 148 Cb 0.49 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1nr1 h ILE 148 CO -0.82 0.00 0.47 0.71 0.00 0.00 0.00 178.15 178.50 1nr1 h THR 149 N -0.28 1.13 0.00 -0.27 1.35 -0.39 0.70 112.91 115.15 1nr1 h THR 149 Ca 0.07 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1nr1 h THR 149 Cb 0.37 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1nr1 h THR 149 CO -0.20 0.17 0.00 0.54 -0.25 0.00 0.00 175.52 175.78 1nr1 n ARG 150 N -4.62 0.00 -0.47 4.72 1.74 0.15 -0.80 116.66 117.38 1nr1 n ARG 150 Ca 0.08 0.13 0.35 0.00 -0.77 0.00 0.00 57.85 57.64 1nr1 n ARG 150 Cb 0.06 -1.04 0.55 0.00 -1.02 0.00 0.00 32.46 31.01 1nr1 n ARG 150 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nr1 n ARG 151 N -0.90 -0.00 -0.04 5.56 1.74 -0.67 0.40 116.66 122.75 1nr1 n ARG 151 Ca 0.00 0.73 -0.15 0.00 -0.77 0.00 0.00 57.85 57.67 1nr1 n ARG 151 Cb 0.00 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.68 1nr1 n ARG 151 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1nr1 h PHE 152 N 0.00 0.51 0.08 -1.55 3.57 -0.51 -2.62 116.94 116.42 1nr1 h PHE 152 Ca 0.63 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.95 1nr1 h PHE 152 Cb 2.50 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 41.13 1nr1 h PHE 152 CO -0.00 0.92 -0.20 1.15 -2.23 0.00 0.00 178.31 177.95 1nr1 h THR 153 N -0.05 0.55 -0.07 4.41 2.02 0.98 0.12 112.91 120.87 1nr1 h THR 153 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1nr1 h THR 153 Cb 0.92 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.82 1nr1 h THR 153 CO 0.07 0.00 -0.41 0.24 0.37 0.00 0.00 175.52 175.78 1nr1 h MET 154 N -0.36 -0.50 -0.38 6.66 2.86 -1.29 0.38 114.93 122.30 1nr1 h MET 154 Ca 0.03 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1nr1 h MET 154 Cb 0.39 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1nr1 h MET 154 CO -0.13 -0.34 -0.02 0.93 1.06 0.00 0.00 176.91 178.42 1nr1 h GLU 155 N -0.52 0.08 -0.82 1.72 4.39 -1.18 -0.10 114.58 118.15 1nr1 h GLU 155 Ca 0.06 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.89 1nr1 h GLU 155 Cb 0.63 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.18 1nr1 h GLU 155 CO -0.36 0.05 0.42 1.25 -1.16 0.00 0.00 179.01 179.22 1nr1 h LEU 156 N 0.08 0.53 0.02 1.33 5.85 0.41 -2.49 115.31 121.04 1nr1 h LEU 156 Ca 0.18 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1nr1 h LEU 156 Cb 0.26 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1nr1 h LEU 156 CO -0.32 0.25 -0.01 0.00 -0.34 0.00 0.00 178.44 178.02 1nr1 h ALA 157 N 1.52 -0.95 -0.80 1.25 0.00 0.15 0.60 119.26 121.03 1nr1 h ALA 157 Ca 0.43 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.62 1nr1 h ALA 157 Cb 0.56 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 1nr1 h ALA 157 CO -0.33 -0.94 0.25 1.63 0.00 0.00 0.00 179.25 179.86 1nr1 n LYS 158 N -2.06 -0.06 -0.19 0.00 5.02 -0.65 0.58 118.16 120.81 1nr1 n LYS 158 Ca -0.00 1.15 0.10 0.00 -2.02 0.00 0.00 58.31 57.54 1nr1 n LYS 158 Cb 0.01 -1.96 0.27 0.00 -0.02 0.00 0.00 35.03 33.33 1nr1 n LYS 158 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nr1 n LYS 159 N -4.96 2.11 -2.06 1.97 4.76 -0.95 -4.95 118.16 114.09 1nr1 n LYS 159 Ca 0.25 -1.71 0.00 0.00 -2.87 0.00 0.00 58.31 53.99 1nr1 n LYS 159 Cb 0.86 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 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 1.30 0.69 0.12 0.72 0.00 0.20 -5.00 105.19 103.21 1nr1 n GLY 160 Ca 0.17 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.57 0.00 -3.64 1.61 3.72 0.21 -4.88 117.46 112.91 1nr1 n PHE 161 Ca 0.00 -0.46 -0.03 0.00 -0.05 0.00 0.00 57.45 56.91 1nr1 n PHE 161 Cb 0.46 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 1nr1 n PHE 161 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1nr1 s ILE 162 N -1.19 -0.59 0.00 4.37 2.07 -1.20 -4.78 121.20 119.87 1nr1 s ILE 162 Ca 0.10 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1nr1 s ILE 162 Cb 0.09 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1nr1 s ILE 162 CO 0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1nr1 n GLY 163 N 4.98 1.40 0.32 1.50 0.00 0.20 -4.52 105.19 109.07 1nr1 n GLY 163 Ca -0.15 0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.16 1nr1 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nr1 h PRO 164 N 0.00 0.34 -0.09 1.61 0.13 -1.79 0.35 132.00 132.55 1nr1 h PRO 164 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1nr1 h PRO 164 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1nr1 h PRO 164 CO 0.00 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.41 1nr1 n GLY 165 N -1.34 0.92 0.73 1.56 0.00 -1.26 -4.64 105.19 101.17 1nr1 n GLY 165 Ca 0.24 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 1.14 0.98 -3.67 -0.61 5.41 -0.06 -3.92 119.36 118.63 1nr1 n ILE 166 Ca 0.16 0.13 -0.08 0.00 1.00 0.00 0.00 62.75 63.96 1nr1 n ILE 166 Cb 0.55 -1.75 -0.09 0.00 -0.71 0.00 0.00 39.64 37.65 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 -0.59 -0.27 4.38 2.15 -0.20 -0.59 116.67 115.64 1nr1 s ASP 167 Ca -0.11 1.14 0.03 0.00 0.43 0.00 0.00 52.55 54.04 1nr1 s ASP 167 Cb 0.03 1.30 0.06 0.00 -0.30 0.00 0.00 42.92 44.02 1nr1 s ASP 167 CO 0.15 -0.22 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.15 1nr1 s VAL 168 N 2.08 2.15 0.00 1.11 1.01 0.25 0.61 120.40 127.61 1nr1 s VAL 168 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1nr1 s VAL 168 Cb -0.10 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1nr1 s VAL 168 CO -0.15 -0.09 0.00 -2.65 0.00 0.00 0.00 175.10 172.21 1nr1 n PRO 169 N 4.43 -0.35 -3.92 2.72 -0.02 -1.23 -2.30 135.00 134.32 1nr1 n PRO 169 Ca -0.12 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.38 1nr1 n PRO 169 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.91 1nr1 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nr1 s ALA 170 N -2.57 -2.45 0.79 3.55 0.00 -0.43 -3.05 121.76 117.61 1nr1 s ALA 170 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1nr1 s ALA 170 Cb 0.00 0.79 0.16 0.00 0.00 0.00 0.00 23.12 24.07 1nr1 s ALA 170 CO 0.00 -1.13 1.08 -1.25 0.00 0.00 0.00 175.76 174.46 1nr1 s PRO 171 N -2.08 1.34 -0.30 0.00 0.04 -1.26 -1.42 135.00 131.31 1nr1 s PRO 171 Ca 0.27 -1.08 -0.07 0.00 0.04 0.00 0.00 61.00 60.15 1nr1 s PRO 171 Cb 0.01 -2.23 0.18 0.00 0.04 0.00 0.00 34.50 32.50 1nr1 s PRO 171 CO -0.02 -1.74 0.88 0.34 0.04 0.00 0.00 177.00 176.51 1nr1 s ASP 172 N -4.82 -0.83 0.00 6.66 -1.08 -0.93 -4.18 116.67 111.49 1nr1 s ASP 172 Ca 0.69 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.09 1nr1 s ASP 172 Cb -0.04 1.63 0.00 0.00 -1.46 0.00 0.00 42.92 43.05 1nr1 s ASP 172 CO 0.47 -0.15 0.00 0.23 0.52 0.00 0.00 175.17 176.23 1nr1 n MET 173 N 5.39 0.00 0.29 4.34 2.81 -1.26 0.14 117.12 128.82 1nr1 n MET 173 Ca -0.01 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 1nr1 n MET 173 Cb 0.54 0.00 0.87 0.00 -0.71 0.00 0.00 33.22 33.92 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 -4.32 7.83 4.64 -1.88 -3.42 113.55 116.40 1nr1 h SER 174 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1nr1 h SER 174 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 1nr1 h SER 174 CO 0.00 0.03 -0.84 0.42 -0.87 0.00 0.00 176.83 175.57 1nr1 s THR 175 N -4.56 1.53 0.12 2.95 -4.23 0.12 -4.74 115.64 106.83 1nr1 s THR 175 Ca -0.05 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1nr1 s THR 175 Cb 0.15 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1nr1 s THR 175 CO 0.56 0.27 0.06 0.61 -0.54 0.00 0.00 174.62 175.57 1nr1 n GLY 176 N 2.16 3.79 0.39 3.99 0.00 -1.26 -2.18 105.19 112.07 1nr1 n GLY 176 Ca -0.16 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.07 1nr1 n GLY 176 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nr1 h GLU 177 N 0.00 0.00 0.38 1.61 4.11 -1.95 -0.38 114.58 118.34 1nr1 h GLU 177 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1nr1 h GLU 177 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nr1 h GLU 177 CO 0.14 0.00 -0.18 0.00 0.07 0.00 0.00 179.01 179.04 1nr1 h ARG 178 N 0.00 -0.49 -0.12 1.06 3.08 -1.95 -0.07 114.38 115.89 1nr1 h ARG 178 Ca 0.14 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1nr1 h ARG 178 Cb 1.90 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 32.03 1nr1 h ARG 178 CO -0.00 -0.18 -0.27 0.93 -1.07 0.00 0.00 179.97 179.38 1nr1 h GLU 179 N -0.95 -0.24 -1.07 0.04 3.07 -1.46 -1.66 114.58 112.30 1nr1 h GLU 179 Ca -0.05 0.02 0.35 0.00 -0.50 0.00 0.00 59.36 59.18 1nr1 h GLU 179 Cb 0.54 0.05 -0.14 0.00 -0.84 0.00 0.00 28.75 28.36 1nr1 h GLU 179 CO 0.09 -0.16 0.63 0.52 -1.40 0.00 0.00 179.01 178.69 1nr1 h MET 180 N -0.25 0.24 -0.12 2.33 2.86 -1.53 0.23 114.93 118.69 1nr1 h MET 180 Ca 0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1nr1 h MET 180 Cb 0.32 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1nr1 h MET 180 CO -0.25 0.16 -0.02 1.03 1.06 0.00 0.00 176.91 178.90 1nr1 h SER 181 N 0.25 0.22 -0.10 1.22 0.87 -0.34 -1.95 113.55 113.72 1nr1 h SER 181 Ca 0.75 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 61.01 1nr1 h SER 181 Cb 1.91 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.76 1nr1 h SER 181 CO -0.56 0.52 -0.19 -0.50 -0.53 0.00 0.00 176.83 175.57 1nr1 h TRP 182 N -0.07 -0.48 0.00 2.24 6.55 0.24 0.11 115.95 124.53 1nr1 h TRP 182 Ca 0.03 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1nr1 h TRP 182 Cb 0.41 0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 1nr1 h TRP 182 CO 0.05 -0.26 0.00 -0.89 -1.05 0.00 0.00 178.44 176.28 1nr1 n ILE 183 N -5.32 0.00 -0.26 1.49 -0.00 0.20 -0.41 119.36 115.05 1nr1 n ILE 183 Ca -0.03 1.43 -0.06 0.00 -0.00 0.00 0.00 62.75 64.08 1nr1 n ILE 183 Cb 0.24 -2.10 -0.05 0.00 -0.00 0.00 0.00 39.64 37.73 1nr1 n ILE 183 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nr1 n ALA 184 N -2.41 -0.37 0.07 -1.39 0.00 -0.74 -0.01 120.51 115.66 1nr1 n ALA 184 Ca 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 1nr1 n ALA 184 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1nr1 n ALA 184 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nr1 h ASP 185 N 0.00 -0.87 -0.14 0.00 1.82 -0.25 -0.56 116.42 116.42 1nr1 h ASP 185 Ca 0.11 0.11 0.04 0.00 -0.39 0.00 0.00 57.03 56.91 1nr1 h ASP 185 Cb 0.27 0.35 -0.07 0.00 0.68 0.00 0.00 39.33 40.56 1nr1 h ASP 185 CO -0.59 -0.37 -0.41 0.74 -1.61 0.00 0.00 179.24 177.01 1nr1 h THR 186 N -0.46 0.16 0.03 2.25 2.02 0.24 -0.40 112.91 116.75 1nr1 h THR 186 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1nr1 h THR 186 Cb 0.53 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1nr1 h THR 186 CO -0.23 0.00 -0.23 0.22 0.37 0.00 0.00 175.52 175.65 1nr1 h TYR 187 N -0.47 -0.67 -1.26 3.16 3.20 -1.04 -1.84 116.97 118.05 1nr1 h TYR 187 Ca 0.08 0.02 0.40 0.00 3.14 0.00 0.00 58.73 62.37 1nr1 h TYR 187 Cb 0.62 0.29 -0.12 0.00 1.54 0.00 0.00 36.73 39.05 1nr1 h TYR 187 CO -0.48 -0.25 0.81 0.00 -1.64 0.00 0.00 178.16 176.60 1nr1 h ALA 188 N -1.09 2.64 0.00 1.82 0.00 -0.82 0.12 119.26 121.93 1nr1 h ALA 188 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nr1 h ALA 188 Cb 0.32 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nr1 h ALA 188 CO -0.14 -1.22 -0.65 0.45 0.00 0.00 0.00 179.25 177.69 1nr1 n SER 189 N -4.68 0.59 0.00 0.00 2.88 -0.18 -2.78 113.62 109.45 1nr1 n SER 189 Ca 0.35 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1nr1 n SER 189 Cb 1.32 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 65.18 1nr1 n SER 189 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1nr1 n THR 190 N -1.66 0.00 -0.38 2.46 -1.04 0.28 -4.74 114.28 109.20 1nr1 n THR 190 Ca 0.04 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.34 1nr1 n THR 190 Cb 0.37 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.44 1nr1 n THR 190 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nr1 h ILE 191 N 0.00 0.32 -0.54 12.58 1.08 -1.78 -1.14 117.51 128.04 1nr1 h ILE 191 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1nr1 h ILE 191 Cb 0.00 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 1nr1 h ILE 191 CO 0.00 0.05 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 1nr1 n GLY 192 N -1.47 2.47 0.12 5.37 0.00 -0.46 -4.59 105.19 106.63 1nr1 n GLY 192 Ca 0.31 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1nr1 n GLY 192 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1nr1 n HIS 193 N 0.81 0.44 0.12 1.61 -0.00 -0.43 -0.62 115.22 117.14 1nr1 n HIS 193 Ca 0.23 0.23 0.06 0.00 -0.00 0.00 0.00 57.72 58.23 1nr1 n HIS 193 Cb 0.87 -0.78 0.11 0.00 -0.00 0.00 0.00 29.99 30.20 1nr1 n HIS 193 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1nr1 n TYR 194 N -1.95 0.28 -3.48 1.57 0.53 -1.26 -4.95 117.16 107.89 1nr1 n TYR 194 Ca -0.01 -0.28 -0.40 0.00 -1.02 0.00 0.00 57.90 56.19 1nr1 n TYR 194 Cb 0.13 -0.01 -0.10 0.00 -1.03 0.00 0.00 39.34 38.33 1nr1 n TYR 194 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1nr1 s ASP 195 N -1.00 6.11 0.00 7.72 3.68 0.21 -4.93 116.67 128.46 1nr1 s ASP 195 Ca 0.20 -0.33 0.08 0.00 2.13 0.00 0.00 52.55 54.64 1nr1 s ASP 195 Cb 0.12 -2.16 0.39 0.00 -1.45 0.00 0.00 42.92 39.82 1nr1 s ASP 195 CO 0.16 -0.27 1.19 0.00 0.13 0.00 0.00 175.17 176.38 1nr1 n ILE 196 N 5.16 1.09 -0.85 4.11 3.06 -1.26 -0.86 119.36 129.81 1nr1 n ILE 196 Ca -0.11 0.27 0.06 0.00 -2.50 0.00 0.00 62.75 60.47 1nr1 n ILE 196 Cb 0.50 -1.13 0.08 0.00 0.54 0.00 0.00 39.64 39.62 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 -1.38 1.89 -0.24 9.51 3.02 -1.26 -4.83 115.26 121.97 1nr1 n ASN 197 Ca 0.03 -2.56 0.03 0.00 -0.03 0.00 0.00 54.58 52.06 1nr1 n ASN 197 Cb 0.08 -0.26 0.13 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.00 0.68 0.00 5.41 0.00 -1.27 0.43 119.26 124.51 1nr1 h ALA 198 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nr1 h ALA 198 Cb 0.90 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1nr1 h ALA 198 CO 0.00 -0.42 0.00 0.72 0.00 0.00 0.00 179.25 179.55 1nr1 n HIS 199 N -5.36 0.00 -1.08 0.00 8.25 -1.26 -0.90 115.22 114.88 1nr1 n HIS 199 Ca 0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.64 1nr1 n HIS 199 Cb 0.43 -0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.36 3.12 0.19 -1.41 0.00 0.15 -4.47 120.51 117.72 1nr1 n ALA 200 Ca 0.00 -2.48 0.09 0.00 0.00 0.00 0.00 53.44 51.05 1nr1 n ALA 200 Cb 0.01 -0.68 0.12 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.14 0.10 0.27 0.00 0.11 -1.26 -3.56 120.40 112.92 1nr1 s VAL 202 Ca 0.06 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1nr1 s VAL 202 Cb 0.06 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1nr1 s VAL 202 CO 0.70 -0.47 0.19 0.35 -3.33 0.00 0.00 175.10 172.54 1nr1 n THR 203 N 0.53 0.00 -1.82 5.04 -2.24 -1.17 -4.75 114.28 109.86 1nr1 n THR 203 Ca -0.18 -1.06 -0.08 0.00 -2.27 0.00 0.00 64.05 60.46 1nr1 n THR 203 Cb 0.60 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1nr1 n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nr1 n GLY 204 N 1.80 0.38 3.92 3.38 0.00 -1.26 -4.59 105.19 108.82 1nr1 n GLY 204 Ca -0.01 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.77 2.74 0.53 1.61 1.02 -1.26 -4.09 119.74 116.52 1nr1 s LYS 205 Ca 0.00 -0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.71 1nr1 s LYS 205 Cb 0.00 -2.25 -0.06 0.00 -0.52 0.00 0.00 37.83 35.00 1nr1 s LYS 205 CO 0.00 -0.83 1.15 -2.14 -0.92 0.00 0.00 175.35 172.61 1nr1 s PRO 206 N -5.05 3.38 0.33 -1.68 0.02 -1.26 -3.99 135.00 126.75 1nr1 s PRO 206 Ca 0.55 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.31 1nr1 s PRO 206 Cb -0.11 -2.08 0.69 0.00 0.02 0.00 0.00 34.50 33.02 1nr1 s PRO 206 CO 0.45 -0.84 1.88 0.82 -0.33 0.00 0.00 177.00 178.98 1nr1 h ILE 207 N 1.30 0.92 0.00 2.83 5.03 -1.92 0.25 117.51 125.92 1nr1 h ILE 207 Ca -0.50 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 63.95 1nr1 h ILE 207 Cb 1.26 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1nr1 h ILE 207 CO 0.57 0.15 0.00 -1.54 -0.68 0.00 0.00 178.15 176.66 1nr1 n SER 208 N -4.55 0.34 -0.73 1.72 3.41 -1.26 -1.89 113.62 110.65 1nr1 n SER 208 Ca 0.16 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.43 1nr1 n SER 208 Cb 0.36 -0.66 0.18 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.88 2.89 -0.17 4.33 1.13 0.72 -4.94 117.38 119.45 1nr1 n GLN 209 Ca 0.02 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.91 1nr1 n GLN 209 Cb 0.17 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 0.54 1.85 3.91 1.08 0.00 -0.79 -4.79 105.19 106.99 1nr1 n GLY 210 Ca 0.14 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1nr1 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nr1 s GLY 211 N -2.08 1.91 0.10 -0.02 0.00 -0.32 -4.78 107.32 102.13 1nr1 s GLY 211 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 44.72 43.98 1nr1 s GLY 211 CO 0.00 -0.52 0.48 -1.50 0.00 0.00 0.00 173.10 171.56 1nr1 s ILE 212 N -1.96 4.96 0.47 0.90 2.07 -1.26 -4.45 121.20 121.92 1nr1 s ILE 212 Ca 0.42 0.70 -0.21 0.00 -1.41 0.00 0.00 60.65 60.16 1nr1 s ILE 212 Cb -0.11 -3.70 -0.09 0.00 0.13 0.00 0.00 42.46 38.69 1nr1 s ILE 212 CO 0.28 0.31 1.04 -1.00 -1.91 0.00 0.00 174.94 173.67 1nr1 s HIS 213 N -1.38 3.04 0.00 3.50 3.76 -1.26 -3.71 115.29 119.24 1nr1 s HIS 213 Ca 0.34 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.84 1nr1 s HIS 213 Cb -0.15 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1nr1 s HIS 213 CO 0.18 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 173.67 1nr1 n GLY 214 N -0.12 0.61 0.09 -2.22 0.00 -1.26 -4.23 105.19 98.06 1nr1 n GLY 214 Ca 0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 0.20 -0.16 0.00 1.61 2.43 -1.97 -3.25 114.38 113.24 1nr1 h ARG 215 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1nr1 h ARG 215 Cb 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1nr1 h ARG 215 CO 0.00 -0.10 0.00 -0.89 -1.51 0.00 0.00 179.97 177.47 1nr1 n ILE 216 N -3.86 0.00 0.04 1.20 2.08 -1.26 0.21 119.36 117.77 1nr1 n ILE 216 Ca -0.02 1.18 0.00 0.00 0.56 0.00 0.00 62.75 64.47 1nr1 n ILE 216 Cb 0.06 -1.62 0.01 0.00 -0.75 0.00 0.00 39.64 37.34 1nr1 n ILE 216 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1nr1 n SER 217 N -2.22 0.00 0.13 4.38 3.41 -1.26 -3.75 113.62 114.32 1nr1 n SER 217 Ca 0.00 -0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 1nr1 n SER 217 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1nr1 n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr1 h ALA 218 N 1.74 -0.31 -0.30 7.33 0.00 -0.27 0.10 119.26 127.56 1nr1 h ALA 218 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nr1 h ALA 218 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1nr1 h ALA 218 CO 0.00 -0.57 -0.03 1.15 0.00 0.00 0.00 179.25 179.79 1nr1 h THR 219 N -0.50 0.74 -0.00 0.00 2.02 -1.74 0.17 112.91 113.59 1nr1 h THR 219 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1nr1 h THR 219 Cb 0.38 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1nr1 h THR 219 CO 0.05 0.01 -0.00 1.23 0.37 0.00 0.00 175.52 177.18 1nr1 h GLY 220 N 0.05 0.00 1.10 2.16 0.00 -1.78 -2.16 103.07 102.45 1nr1 h GLY 220 Ca 0.15 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.53 1nr1 h GLY 220 CO -0.27 0.00 0.45 -0.09 0.00 0.00 0.00 176.54 176.63 1nr1 h ARG 221 N -0.33 0.69 -0.61 4.80 2.43 -0.63 0.37 114.38 121.09 1nr1 h ARG 221 Ca 0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1nr1 h ARG 221 Cb 0.34 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1nr1 h ARG 221 CO 0.00 0.45 0.37 0.78 -1.51 0.00 0.00 179.97 180.06 1nr1 h GLY 222 N 0.71 0.87 0.99 2.80 0.00 -0.38 -1.53 103.07 106.52 1nr1 h GLY 222 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1nr1 h GLY 222 CO -0.09 0.23 0.32 -2.08 0.00 0.00 0.00 176.54 174.93 1nr1 h VAL 223 N 0.73 1.17 -0.02 4.60 2.07 -0.36 -1.52 116.25 122.92 1nr1 h VAL 223 Ca 0.25 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1nr1 h VAL 223 Cb 0.03 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1nr1 h VAL 223 CO -0.10 0.18 -0.41 0.15 0.02 0.00 0.00 177.57 177.41 1nr1 h PHE 224 N 0.75 -1.21 -0.85 1.57 3.04 -0.10 -2.06 116.94 118.08 1nr1 h PHE 224 Ca 0.20 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.30 1nr1 h PHE 224 Cb 0.01 0.53 -0.06 0.00 2.56 0.00 0.00 35.95 38.98 1nr1 h PHE 224 CO -0.02 -0.43 0.55 0.45 -2.02 0.00 0.00 178.31 176.84 1nr1 h HIS 225 N -0.49 0.84 -0.28 0.41 3.86 -1.27 0.79 115.15 119.01 1nr1 h HIS 225 Ca 0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1nr1 h HIS 225 Cb 0.54 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1nr1 h HIS 225 CO -0.50 0.36 0.16 0.78 0.86 0.00 0.00 177.93 179.60 1nr1 h GLY 226 N 0.76 0.41 0.86 2.45 0.00 -0.77 0.85 103.07 107.62 1nr1 h GLY 226 Ca 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1nr1 h GLY 226 CO -0.17 0.17 0.04 -2.22 0.00 0.00 0.00 176.54 174.36 1nr1 h ILE 227 N 0.35 1.15 -0.52 2.60 2.04 -0.66 -3.11 117.51 119.36 1nr1 h ILE 227 Ca 0.10 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.61 1nr1 h ILE 227 Cb 0.03 1.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 1nr1 h ILE 227 CO -0.02 0.13 -0.04 -0.08 0.00 0.00 0.00 178.15 178.15 1nr1 h GLU 228 N 0.01 0.07 0.00 2.37 4.81 -0.49 0.94 114.58 122.30 1nr1 h GLU 228 Ca 0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1nr1 h GLU 228 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1nr1 h GLU 228 CO -0.00 0.05 0.00 -0.91 -0.73 0.00 0.00 179.01 177.42 1nr1 h ASN 229 N 0.08 0.00 0.00 1.04 2.35 -0.83 -2.37 115.58 115.85 1nr1 h ASN 229 Ca 0.26 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.66 1nr1 h ASN 229 Cb 0.40 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.71 1nr1 h ASN 229 CO -0.47 0.00 -2.33 0.49 -1.65 0.00 0.00 177.43 173.47 1nr1 n PHE 230 N -2.88 0.00 0.66 1.19 3.01 0.11 -4.01 117.46 115.54 1nr1 n PHE 230 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1nr1 n PHE 230 Cb 0.17 -0.92 0.41 0.00 -0.01 0.00 0.00 39.48 39.13 1nr1 n PHE 230 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1nr1 n ILE 231 N -2.98 0.67 0.72 4.37 2.08 0.31 -2.45 119.36 122.07 1nr1 n ILE 231 Ca -0.37 0.17 0.08 0.00 0.56 0.00 0.00 62.75 63.19 1nr1 n ILE 231 Cb 1.02 -0.84 0.03 0.00 -0.75 0.00 0.00 39.64 39.11 1nr1 n ILE 231 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1nr1 n ASN 232 N -1.51 2.02 -4.59 4.38 5.03 -0.90 -4.80 115.26 114.88 1nr1 n ASN 232 Ca 0.05 -1.51 -0.41 0.00 0.87 0.00 0.00 54.58 53.58 1nr1 n ASN 232 Cb 0.23 0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 39.17 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 -1.68 3.86 0.00 3.52 2.56 -1.03 -5.00 118.70 120.93 1nr1 s GLU 233 Ca 0.17 0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.40 1nr1 s GLU 233 Cb 0.14 -3.74 0.00 0.00 2.00 0.00 0.00 34.13 32.52 1nr1 s GLU 233 CO 0.32 -0.61 0.57 0.00 -0.56 0.00 0.00 175.26 174.97 1nr1 n ALA 234 N 5.94 -0.04 -0.06 6.30 0.00 -1.26 -2.46 120.51 128.92 1nr1 n ALA 234 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1nr1 n ALA 234 Cb 0.49 0.11 0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.93 -0.10 0.27 0.00 7.64 -1.26 -0.20 113.62 119.04 1nr1 n SER 235 Ca 0.00 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.06 1nr1 n SER 235 Cb 0.00 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.70 -0.85 1.43 -1.99 -1.88 -3.07 116.97 109.90 1nr1 h TYR 236 Ca 0.06 -0.02 0.25 0.00 2.00 0.00 0.00 58.73 61.02 1nr1 h TYR 236 Cb 0.11 0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.03 1nr1 h TYR 236 CO -0.14 -0.43 0.85 0.52 -0.00 0.00 0.00 178.16 178.95 1nr1 h MET 237 N -1.18 0.00 0.20 4.88 2.86 -0.25 -0.57 114.93 120.87 1nr1 h MET 237 Ca -0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1nr1 h MET 237 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1nr1 h MET 237 CO 0.13 0.00 -0.10 0.77 1.06 0.00 0.00 176.91 178.77 1nr1 h SER 238 N 0.00 -0.22 -0.74 1.22 0.02 -1.17 1.50 113.55 114.15 1nr1 h SER 238 Ca 0.40 0.01 0.22 0.00 -0.84 0.00 0.00 61.79 61.58 1nr1 h SER 238 Cb 2.10 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.67 1nr1 h SER 238 CO -0.00 -0.07 1.06 -0.38 -1.14 0.00 0.00 176.83 176.29 1nr1 n ILE 239 N -3.21 0.00 -0.07 3.27 5.41 -0.24 0.39 119.36 124.92 1nr1 n ILE 239 Ca -0.03 1.08 -0.09 0.00 1.00 0.00 0.00 62.75 64.71 1nr1 n ILE 239 Cb 0.10 -1.97 -0.15 0.00 -0.71 0.00 0.00 39.64 36.91 1nr1 n ILE 239 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1nr1 n LEU 240 N -2.89 0.33 0.00 1.39 4.77 -1.13 -4.97 117.00 114.51 1nr1 n LEU 240 Ca 0.17 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1nr1 n LEU 240 Cb 1.28 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 42.74 1nr1 n LEU 240 CO 0.17 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1nr1 n GLY 241 N 1.67 0.65 0.00 -0.72 0.00 1.25 -5.09 105.19 102.94 1nr1 n GLY 241 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.39 -1.15 -3.49 1.61 2.00 0.49 -4.54 117.12 110.65 1nr1 n MET 242 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1nr1 n MET 242 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.28 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 -2.46 -7.21 -3.66 2.03 5.66 -1.26 -4.61 114.28 102.78 1nr1 n THR 243 Ca 0.00 -1.09 -0.24 0.00 -3.05 0.00 0.00 64.05 59.67 1nr1 n THR 243 Cb 0.00 -5.27 -0.02 0.00 -1.55 0.00 0.00 70.33 63.49 1nr1 n THR 243 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1nr1 s PRO 244 N -5.27 3.48 -0.07 1.09 0.04 -1.26 -4.96 135.00 128.05 1nr1 s PRO 244 Ca 0.42 -0.46 -0.14 0.00 0.04 0.00 0.00 61.00 60.85 1nr1 s PRO 244 Cb -0.10 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.55 1nr1 s PRO 244 CO 0.80 0.31 0.55 0.78 0.04 0.00 0.00 177.00 179.48 1nr1 h GLY 245 N 1.28 -0.25 1.44 0.56 0.00 -1.93 0.51 103.07 104.67 1nr1 h GLY 245 Ca -0.50 0.09 -0.23 0.00 0.00 0.00 0.00 47.33 46.69 1nr1 h GLY 245 CO 0.63 -0.09 -1.32 -2.75 0.00 0.00 0.00 176.54 173.01 1nr1 h PHE 246 N -1.00 0.00 0.23 5.60 3.57 -2.03 -3.34 116.94 119.98 1nr1 h PHE 246 Ca -0.02 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.16 1nr1 h PHE 246 Cb 0.39 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.16 1nr1 h PHE 246 CO 0.05 0.92 -1.41 0.78 -2.23 0.00 0.00 178.31 176.42 1nr1 h GLY 247 N 3.33 0.56 0.00 2.40 0.00 -2.00 -3.46 103.07 103.91 1nr1 h GLY 247 Ca -0.15 -1.43 0.00 0.00 0.00 0.00 0.00 47.33 45.75 1nr1 h GLY 247 CO 0.09 1.25 0.00 1.34 0.00 0.00 0.00 176.54 179.23 1nr1 n ASP 248 N -3.77 0.00 -3.41 0.19 4.64 0.17 -4.00 116.55 110.37 1nr1 n ASP 248 Ca -0.18 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.10 1nr1 n ASP 248 Cb 1.06 0.00 -0.10 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 0.28 -0.02 -0.67 1.02 -1.26 -4.44 119.74 114.65 1nr1 s LYS 249 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1nr1 s LYS 249 Cb 0.00 -0.78 0.02 0.00 -0.52 0.00 0.00 37.83 36.55 1nr1 s LYS 249 CO 0.00 -0.68 0.01 0.95 -0.92 0.00 0.00 175.35 174.71 1nr1 s THR 250 N 2.45 0.04 0.04 2.17 -4.23 -1.26 -0.26 115.64 114.58 1nr1 s THR 250 Ca 0.10 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1nr1 s THR 250 Cb -0.15 -0.13 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1nr1 s THR 250 CO -0.16 0.09 -0.04 0.72 -0.54 0.00 0.00 174.62 174.69 1nr1 s PHE 251 N 0.78 0.46 -0.09 3.99 -0.71 0.41 -1.44 117.98 121.38 1nr1 s PHE 251 Ca -0.07 -0.65 0.05 0.00 -1.04 0.00 0.00 56.93 55.22 1nr1 s PHE 251 Cb -0.10 -0.30 -0.00 0.00 -1.21 0.00 0.00 43.02 41.40 1nr1 s PHE 251 CO -0.02 -0.19 -0.24 0.08 -1.34 0.00 0.00 175.22 173.51 1nr1 s VAL 252 N -2.05 2.04 -0.27 -2.49 1.01 0.38 -2.22 120.40 116.80 1nr1 s VAL 252 Ca -0.08 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1nr1 s VAL 252 Cb -0.06 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.63 1nr1 s VAL 252 CO -0.03 0.56 -0.09 0.54 0.00 0.00 0.00 175.10 176.08 1nr1 s VAL 253 N 0.21 2.22 -0.43 2.92 0.11 -0.57 0.82 120.40 125.69 1nr1 s VAL 253 Ca -0.15 -1.69 -0.25 0.00 -2.93 0.00 0.00 61.98 56.96 1nr1 s VAL 253 Cb -0.17 -2.34 0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1nr1 s VAL 253 CO 0.08 -0.08 0.89 -1.58 -3.33 0.00 0.00 175.10 171.07 1nr1 s GLN 254 N 1.09 3.62 0.00 1.54 0.74 -0.06 -2.91 119.66 123.68 1nr1 s GLN 254 Ca -0.07 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.59 1nr1 s GLN 254 Cb -0.20 -3.88 0.00 0.00 1.10 0.00 0.00 33.01 30.03 1nr1 s GLN 254 CO -0.05 -1.10 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 1nr1 n GLY 255 N 4.76 1.38 2.68 2.59 0.00 0.37 0.16 105.19 117.12 1nr1 n GLY 255 Ca 0.06 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 1.23 2.68 -1.21 1.61 -0.00 -1.26 -3.81 117.46 116.70 1nr1 n PHE 256 Ca 0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 57.45 54.86 1nr1 n PHE 256 Cb 0.00 -1.29 0.00 0.00 -0.00 0.00 0.00 39.48 38.19 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 0.36 1.90 0.44 7.13 0.00 -1.26 -4.68 105.19 109.07 1nr1 n GLY 257 Ca 0.46 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.92 -0.38 1.61 -1.24 -1.94 -2.46 115.58 110.24 1nr1 h ASN 258 Ca 0.00 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 1nr1 h ASN 258 Cb 0.00 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1nr1 h ASN 258 CO 0.00 -0.60 0.09 1.62 -1.29 0.00 0.00 177.43 177.25 1nr1 h VAL 259 N -1.20 1.21 0.67 2.57 3.04 -1.92 -2.79 116.25 117.83 1nr1 h VAL 259 Ca -0.11 -0.77 -0.03 0.00 -1.01 0.00 0.00 66.70 64.77 1nr1 h VAL 259 Cb 0.85 0.77 0.01 0.00 -2.01 0.00 0.00 31.29 30.90 1nr1 h VAL 259 CO 0.18 0.28 -0.32 1.23 -1.01 0.00 0.00 177.57 177.93 1nr1 h GLY 260 N 0.90 -0.94 0.00 3.17 0.00 -1.66 -1.82 103.07 102.73 1nr1 h GLY 260 Ca 0.15 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1nr1 h GLY 260 CO 0.00 -0.34 0.00 -0.10 0.00 0.00 0.00 176.54 176.10 1nr1 n LEU 261 N -5.38 0.00 -0.30 3.11 7.94 -0.93 -0.26 117.00 121.19 1nr1 n LEU 261 Ca -0.11 0.91 0.12 0.00 -1.11 0.00 0.00 56.01 55.82 1nr1 n LEU 261 Cb 0.36 -0.44 0.36 0.00 0.53 0.00 0.00 43.42 44.23 1nr1 n LEU 261 CO 0.28 -0.44 1.22 0.45 -1.11 0.00 0.00 177.39 177.79 1nr1 h HIS 262 N 0.00 0.88 0.00 1.96 3.86 -1.60 0.33 115.15 120.58 1nr1 h HIS 262 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1nr1 h HIS 262 Cb 0.00 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1nr1 h HIS 262 CO -0.82 0.29 -0.01 1.03 0.86 0.00 0.00 177.93 179.28 1nr1 h SER 263 N 0.72 0.00 0.19 2.45 0.87 0.28 -0.21 113.55 117.85 1nr1 h SER 263 Ca 0.49 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.71 1nr1 h SER 263 Cb 0.79 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1nr1 h SER 263 CO -0.25 0.01 -1.62 -0.03 -0.53 0.00 0.00 176.83 174.41 1nr1 h MET 264 N 0.00 0.41 -0.03 2.24 -1.53 0.20 -3.10 114.93 113.12 1nr1 h MET 264 Ca -0.00 -0.70 0.03 0.00 -3.44 0.00 0.00 59.70 55.58 1nr1 h MET 264 Cb 0.02 0.26 -0.06 0.00 -0.55 0.00 0.00 31.60 31.28 1nr1 h MET 264 CO 0.00 1.34 -0.52 0.00 0.14 0.00 0.00 176.91 177.87 1nr1 h ARG 265 N 0.05 -0.62 -0.34 0.39 2.47 0.36 -0.22 114.38 116.48 1nr1 h ARG 265 Ca -0.31 0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.33 1nr1 h ARG 265 Cb 2.06 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 30.51 1nr1 h ARG 265 CO 0.19 -0.41 -0.26 1.88 0.56 0.00 0.00 179.97 181.92 1nr1 h TYR 266 N -0.64 0.79 -0.19 3.04 0.05 -1.39 -1.43 116.97 117.21 1nr1 h TYR 266 Ca 0.02 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.57 1nr1 h TYR 266 Cb 0.71 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1nr1 h TYR 266 CO -0.51 0.89 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.30 1nr1 h LEU 267 N 0.60 0.28 0.10 3.88 -0.00 -1.41 -3.04 115.31 115.72 1nr1 h LEU 267 Ca 0.08 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1nr1 h LEU 267 Cb 0.76 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1nr1 h LEU 267 CO 0.06 0.43 -0.05 -0.74 -0.00 0.00 0.00 178.44 178.14 1nr1 h HIS 268 N 0.28 -0.12 -1.32 1.13 2.76 -0.54 -3.00 115.15 114.35 1nr1 h HIS 268 Ca 0.06 -0.00 0.38 0.00 -2.20 0.00 0.00 60.37 58.61 1nr1 h HIS 268 Cb 0.37 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1nr1 h HIS 268 CO 0.01 -0.07 1.08 -2.13 -1.30 0.00 0.00 177.93 175.51 1nr1 n ARG 269 N -2.58 0.00 -0.63 5.26 0.63 -0.58 0.79 116.66 119.55 1nr1 n ARG 269 Ca -0.02 0.84 0.09 0.00 -0.92 0.00 0.00 57.85 57.85 1nr1 n ARG 269 Cb 0.05 -1.99 0.36 0.00 0.45 0.00 0.00 32.46 31.33 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 -3.29 1.50 -0.78 -0.14 0.99 -1.15 -4.96 117.46 109.63 1nr1 n PHE 270 Ca 0.30 -0.63 0.00 0.00 -0.00 0.00 0.00 57.45 57.12 1nr1 n PHE 270 Cb 1.47 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 39.69 1nr1 n PHE 270 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr1 n GLY 271 N 1.04 0.67 3.03 1.37 0.00 0.24 -5.09 105.19 106.45 1nr1 n GLY 271 Ca 0.26 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.13 0.41 -0.21 4.61 0.00 -1.13 -4.63 121.76 118.67 1nr1 s ALA 272 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 1nr1 s ALA 272 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1nr1 s ALA 272 CO 0.00 -0.07 0.11 0.15 0.00 0.00 0.00 175.76 175.95 1nr1 s LYS 273 N -1.50 4.02 -1.03 0.00 1.02 0.64 -4.48 119.74 118.41 1nr1 s LYS 273 Ca -0.12 -0.31 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 1nr1 s LYS 273 Cb -0.10 -3.37 0.18 0.00 -0.52 0.00 0.00 37.83 34.02 1nr1 s LYS 273 CO -0.00 0.16 1.16 0.00 -0.92 0.00 0.00 175.35 175.75 1nr1 n ILE 275 N 4.51 0.00 -4.35 0.00 2.08 -0.94 -1.58 119.36 119.08 1nr1 n ILE 275 Ca 0.26 1.47 -0.19 0.00 0.56 0.00 0.00 62.75 64.86 1nr1 n ILE 275 Cb 0.45 -2.30 -0.14 0.00 -0.75 0.00 0.00 39.64 36.90 1nr1 n ILE 275 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nr1 s ALA 276 N -3.28 0.86 -0.08 -1.39 0.00 -1.25 -2.89 121.76 113.73 1nr1 s ALA 276 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1nr1 s ALA 276 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1nr1 s ALA 276 CO 0.00 0.18 -0.19 0.08 0.00 0.00 0.00 175.76 175.83 1nr1 s VAL 277 N -0.49 1.69 -0.04 0.00 1.01 -1.20 -1.51 120.40 119.85 1nr1 s VAL 277 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1nr1 s VAL 277 Cb -0.05 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1nr1 s VAL 277 CO 0.00 0.48 -0.12 -0.83 0.00 0.00 0.00 175.10 174.63 1nr1 s GLY 278 N 0.44 0.69 0.00 4.51 0.00 -1.15 -1.14 107.32 110.68 1nr1 s GLY 278 Ca -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1nr1 s GLY 278 CO 0.07 -0.05 0.00 1.18 0.00 0.00 0.00 173.10 174.30 1nr1 n GLU 279 N 3.47 2.88 0.18 2.90 -0.58 -0.97 -0.48 120.64 128.04 1nr1 n GLU 279 Ca -0.20 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.58 1nr1 n GLU 279 Cb 0.53 0.00 0.29 0.00 -0.57 0.00 0.00 31.44 31.69 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 0.00 0.00 0.00 1.62 4.64 -2.01 -3.42 113.55 114.38 1nr1 h SER 280 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nr1 h SER 280 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nr1 h SER 280 CO 0.00 0.41 0.00 0.47 -0.87 0.00 0.00 176.83 176.84 1nr1 n ASP 281 N -3.53 0.00 -1.64 4.97 8.00 -1.26 -5.09 116.55 118.00 1nr1 n ASP 281 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nr1 n ASP 281 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 5.00 1.29 3.33 0.44 0.00 -1.26 -5.14 105.19 108.84 1nr1 n GLY 282 Ca 0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 0.22 0.14 1.61 0.01 -1.25 -2.28 113.70 111.15 1nr1 s SER 283 Ca 0.00 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 56.02 1nr1 s SER 283 Cb 0.00 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1nr1 s SER 283 CO 0.00 -0.96 -0.13 -0.63 0.41 0.00 0.00 173.24 171.93 1nr1 s ILE 284 N -4.02 1.33 0.07 1.44 1.09 -0.29 -3.20 121.20 117.63 1nr1 s ILE 284 Ca 0.34 -1.87 -0.17 0.00 -1.10 0.00 0.00 60.65 57.84 1nr1 s ILE 284 Cb 0.04 -1.68 0.04 0.00 -1.06 0.00 0.00 42.46 39.80 1nr1 s ILE 284 CO 0.13 -0.53 0.41 0.86 -0.10 0.00 0.00 174.94 175.70 1nr1 s TRP 285 N -2.58 -0.25 0.00 3.97 -0.11 -1.10 -3.28 118.94 115.60 1nr1 s TRP 285 Ca 0.13 0.11 0.00 0.00 1.22 0.00 0.00 56.10 57.56 1nr1 s TRP 285 Cb -0.02 0.23 0.00 0.00 -1.50 0.00 0.00 33.47 32.18 1nr1 s TRP 285 CO 0.03 -0.62 0.00 -1.71 -4.62 0.00 0.00 176.95 170.03 1nr1 n ASN 286 N 0.25 0.00 0.17 5.86 2.85 -1.14 -1.67 115.26 121.58 1nr1 n ASN 286 Ca -0.18 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.34 1nr1 n ASN 286 Cb 0.61 0.00 0.25 0.00 1.24 0.00 0.00 39.78 41.88 1nr1 n ASN 286 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1nr1 h PRO 287 N 0.00 0.00 -0.38 1.20 0.11 -1.94 -3.17 132.00 127.82 1nr1 h PRO 287 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1nr1 h PRO 287 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1nr1 h PRO 287 CO 0.00 0.43 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.50 1nr1 h ASP 288 N 0.00 0.89 0.00 -2.05 3.45 -1.95 -3.47 116.42 113.30 1nr1 h ASP 288 Ca -0.00 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1nr1 h ASP 288 Cb 1.04 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 1nr1 h ASP 288 CO 0.06 1.14 0.00 0.61 -1.57 0.00 0.00 179.24 179.48 1nr1 n GLY 289 N 0.04 4.26 3.82 2.75 0.00 -1.20 -4.89 105.19 109.98 1nr1 n GLY 289 Ca -0.02 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.66 4.78 -0.27 -0.61 -1.09 -0.62 -4.94 121.20 117.79 1nr1 s ILE 290 Ca 0.00 1.06 -0.14 0.00 -2.23 0.00 0.00 60.65 59.34 1nr1 s ILE 290 Cb 0.00 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1nr1 s ILE 290 CO 0.00 0.41 0.31 -0.62 -1.23 0.00 0.00 174.94 173.81 1nr1 s ASP 291 N -1.39 6.18 0.10 3.58 2.15 -1.26 -4.49 116.67 121.54 1nr1 s ASP 291 Ca 0.33 0.19 -0.26 0.00 0.43 0.00 0.00 52.55 53.24 1nr1 s ASP 291 Cb -0.17 -2.18 -0.09 0.00 -0.30 0.00 0.00 42.92 40.18 1nr1 s ASP 291 CO 0.19 -0.14 1.43 -0.65 -0.17 0.00 0.00 175.17 175.84 1nr1 h PRO 292 N 8.24 -0.33 -0.58 4.34 0.11 -1.95 -1.00 132.00 140.83 1nr1 h PRO 292 Ca -0.33 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.86 1nr1 h PRO 292 Cb 1.17 0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1nr1 h PRO 292 CO 0.61 -0.22 -0.49 -0.22 -0.21 0.00 0.00 178.00 177.47 1nr1 h LYS 293 N -0.34 -0.18 -0.17 1.05 1.63 -1.98 0.47 116.57 117.05 1nr1 h LYS 293 Ca 0.05 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1nr1 h LYS 293 Cb 0.48 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.08 1nr1 h LYS 293 CO -0.46 -0.12 -0.45 0.93 -3.45 0.00 0.00 179.45 175.90 1nr1 h GLU 294 N -0.19 -0.47 -0.32 1.90 5.08 -1.90 0.25 114.58 118.93 1nr1 h GLU 294 Ca 0.10 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1nr1 h GLU 294 Cb 0.44 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1nr1 h GLU 294 CO -0.65 -0.32 0.22 1.25 -1.00 0.00 0.00 179.01 178.52 1nr1 h LEU 295 N -0.49 0.19 -0.20 1.33 5.85 -0.24 0.14 115.31 121.89 1nr1 h LEU 295 Ca 0.07 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1nr1 h LEU 295 Cb 0.64 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1nr1 h LEU 295 CO -0.43 0.13 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.56 1nr1 h GLU 296 N 0.22 0.46 0.00 1.25 4.81 0.18 -1.04 114.58 120.46 1nr1 h GLU 296 Ca 0.14 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1nr1 h GLU 296 Cb 0.29 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1nr1 h GLU 296 CO -0.03 0.78 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.46 1nr1 h ASP 297 N 0.14 0.00 0.17 1.04 3.32 0.23 -1.53 116.42 119.80 1nr1 h ASP 297 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1nr1 h ASP 297 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1nr1 h ASP 297 CO 0.04 0.13 -0.08 0.15 -1.72 0.00 0.00 179.24 177.76 1nr1 h PHE 298 N 0.00 -0.22 -0.78 4.55 3.57 -0.87 -1.41 116.94 121.78 1nr1 h PHE 298 Ca -0.00 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1nr1 h PHE 298 Cb 0.68 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.36 1nr1 h PHE 298 CO 0.00 -0.00 0.10 -0.22 -2.23 0.00 0.00 178.31 175.95 1nr1 h LYS 299 N -1.03 0.16 0.11 1.11 1.63 -1.13 -2.57 116.57 114.85 1nr1 h LYS 299 Ca -0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1nr1 h LYS 299 Cb 0.31 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1nr1 h LYS 299 CO 0.04 0.10 -0.06 1.25 -3.45 0.00 0.00 179.45 177.34 1nr1 h LEU 300 N 0.16 -0.13 -0.47 5.20 7.12 -1.36 -3.28 115.31 122.54 1nr1 h LEU 300 Ca 0.45 0.00 0.14 0.00 0.13 0.00 0.00 57.88 58.60 1nr1 h LEU 300 Cb 0.82 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 40.89 1nr1 h LEU 300 CO -0.63 -0.06 0.05 1.67 -0.13 0.00 0.00 178.44 179.34 1nr1 n GLN 301 N -2.61 -0.04 -3.66 1.25 7.27 -0.53 -4.43 117.38 114.64 1nr1 n GLN 301 Ca -0.02 0.70 -0.15 0.00 0.07 0.00 0.00 57.00 57.60 1nr1 n GLN 301 Cb 0.06 -1.14 -0.07 0.00 2.41 0.00 0.00 30.24 31.50 1nr1 n GLN 301 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1nr1 s HIS 302 N -5.20 -0.36 0.00 3.69 -3.43 -0.99 -5.10 115.29 103.89 1nr1 s HIS 302 Ca -0.06 0.56 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 1nr1 s HIS 302 Cb 0.14 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1nr1 s HIS 302 CO 0.37 -0.50 0.00 0.41 -2.00 0.00 0.00 174.74 173.02 1nr1 n GLY 303 N 1.00 0.00 0.00 -1.38 0.00 -1.26 -4.39 105.19 99.16 1nr1 n GLY 303 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.77 -0.06 1.61 2.88 -1.26 -4.68 113.62 113.89 1nr1 n SER 304 Ca 0.00 -0.99 -0.08 0.00 -1.33 0.00 0.00 58.87 56.47 1nr1 n SER 304 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1nr1 n SER 304 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1nr1 h ILE 305 N 0.87 1.28 -0.18 2.46 3.07 -1.88 -3.39 117.51 119.75 1nr1 h ILE 305 Ca 0.00 -1.45 -0.15 0.00 1.55 0.00 0.00 64.86 64.81 1nr1 h ILE 305 Cb 0.00 1.37 0.01 0.00 -0.27 0.00 0.00 36.82 37.93 1nr1 h ILE 305 CO 0.00 0.47 0.04 0.18 -1.05 0.00 0.00 178.15 177.80 1nr1 n LEU 306 N -4.07 0.06 -0.10 0.16 4.32 -1.26 -1.12 117.00 115.00 1nr1 n LEU 306 Ca -0.01 0.21 -0.01 0.00 -0.02 0.00 0.00 56.01 56.18 1nr1 n LEU 306 Cb 0.48 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1nr1 n LEU 306 CO 0.45 -0.28 -0.01 0.61 -1.22 0.00 0.00 177.39 176.94 1nr1 n GLY 307 N 0.40 0.50 3.70 -0.72 0.00 -1.26 -4.95 105.19 102.86 1nr1 n GLY 307 Ca 0.04 -0.31 -0.55 0.00 0.00 0.00 0.00 46.02 45.20 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 2.07 -2.12 1.61 7.35 -0.27 -4.84 117.46 118.41 1nr1 n PHE 308 Ca -0.01 0.43 -0.43 0.00 -0.76 0.00 0.00 57.45 56.68 1nr1 n PHE 308 Cb 0.10 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.41 1nr1 n PHE 308 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1nr1 s PRO 309 N 3.34 3.74 0.00 -7.13 0.02 -1.26 -1.73 135.00 131.98 1nr1 s PRO 309 Ca 0.96 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1nr1 s PRO 309 Cb -0.98 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 29.49 1nr1 s PRO 309 CO 0.61 -1.36 0.00 1.63 -0.33 0.00 0.00 177.00 177.55 1nr1 n LYS 310 N 7.75 0.00 -3.40 5.54 5.02 -1.26 -5.08 118.16 126.73 1nr1 n LYS 310 Ca 0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1nr1 n LYS 310 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.40 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 -2.00 -1.39 -0.30 7.82 0.00 -0.71 -4.83 121.76 120.35 1nr1 s ALA 311 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 1nr1 s ALA 311 Cb 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1nr1 s ALA 311 CO 0.00 -1.14 1.13 0.21 0.00 0.00 0.00 175.76 175.95 1nr1 s LYS 312 N 2.64 4.06 -0.93 0.00 2.47 -0.67 -4.47 119.74 122.85 1nr1 s LYS 312 Ca 0.10 1.15 -0.29 0.00 -1.56 0.00 0.00 55.97 55.38 1nr1 s LYS 312 Cb -0.14 -3.76 -0.21 0.00 -1.46 0.00 0.00 37.83 32.26 1nr1 s LYS 312 CO -0.16 -0.91 2.62 -2.30 0.16 0.00 0.00 175.35 174.75 1nr1 n PRO 313 N 6.91 0.14 -2.78 4.03 -0.02 -1.26 -2.71 135.00 139.30 1nr1 n PRO 313 Ca 0.13 -0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 1nr1 n PRO 313 Cb 0.47 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 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 8.86 3.73 0.16 6.00 5.04 -1.19 -4.94 117.35 135.02 1nr1 s TYR 314 Ca 1.30 1.79 0.07 0.00 -2.44 0.00 0.00 57.07 57.80 1nr1 s TYR 314 Cb -1.08 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 38.27 1nr1 s TYR 314 CO 0.46 0.25 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.76 1nr1 s GLU 315 N -1.94 1.21 0.00 4.97 2.56 -1.26 -3.91 118.70 120.34 1nr1 s GLU 315 Ca 0.49 -1.42 0.00 0.00 0.00 0.00 0.00 54.97 54.04 1nr1 s GLU 315 Cb -0.20 -1.11 0.00 0.00 2.00 0.00 0.00 34.13 34.83 1nr1 s GLU 315 CO 0.25 0.21 0.00 0.41 -0.56 0.00 0.00 175.26 175.56 1nr1 n GLY 316 N 0.11 1.76 3.53 -1.50 0.00 -1.26 -4.92 105.19 102.92 1nr1 n GLY 316 Ca -0.12 -1.48 -0.52 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.03 0.67 0.27 1.61 3.41 -1.26 -4.78 113.62 113.51 1nr1 n SER 317 Ca 0.00 1.14 0.16 0.00 -0.26 0.00 0.00 58.87 59.91 1nr1 n SER 317 Cb 0.00 -1.10 0.74 0.00 -0.26 0.00 0.00 64.21 63.59 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 2.59 0.23 0.00 -1.33 -2.65 -1.96 -2.51 117.51 111.89 1nr1 h ILE 318 Ca -0.44 -0.55 0.00 0.00 1.03 0.00 0.00 64.86 64.91 1nr1 h ILE 318 Cb 1.38 1.44 0.00 0.00 -2.05 0.00 0.00 36.82 37.58 1nr1 h ILE 318 CO 0.68 0.07 0.22 -0.07 0.03 0.00 0.00 178.15 179.07 1nr1 h LEU 319 N 0.00 0.00 -3.23 0.16 4.07 -1.98 0.81 115.31 115.14 1nr1 h LEU 319 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1nr1 h LEU 319 Cb 0.43 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1nr1 h LEU 319 CO 0.01 0.00 -0.02 -0.62 -1.08 0.00 0.00 178.44 176.73 1nr1 n GLU 320 N -2.34 2.39 -1.70 1.13 1.02 -0.95 -4.25 120.64 115.95 1nr1 n GLU 320 Ca -0.01 -2.87 -0.31 0.00 -0.02 0.00 0.00 57.16 53.95 1nr1 n GLU 320 Cb 0.25 -1.78 0.04 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.93 2.82 -0.36 0.62 0.00 0.28 -4.57 121.76 117.62 1nr1 s ALA 321 Ca 0.41 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 1nr1 s ALA 321 Cb 0.34 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1nr1 s ALA 321 CO 0.06 -1.05 0.38 0.34 0.00 0.00 0.00 175.76 175.48 1nr1 s ASP 322 N -3.98 6.18 0.24 0.00 2.15 -1.26 -3.86 116.67 116.14 1nr1 s ASP 322 Ca 0.57 -0.38 -0.21 0.00 0.43 0.00 0.00 52.55 52.96 1nr1 s ASP 322 Cb -0.13 -2.20 0.06 0.00 -0.30 0.00 0.00 42.92 40.35 1nr1 s ASP 322 CO 0.54 -0.40 0.93 0.00 -0.17 0.00 0.00 175.17 176.07 1nr1 n ASP 324 N -1.03 1.69 -3.90 0.00 9.92 -0.52 -3.08 116.55 119.63 1nr1 n ASP 324 Ca -0.05 0.22 -0.27 0.00 -0.53 0.00 0.00 54.79 54.16 1nr1 n ASP 324 Cb 0.60 -0.53 -0.17 0.00 -0.64 0.00 0.00 41.12 40.38 1nr1 n ASP 324 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1nr1 s ILE 325 N -2.56 1.00 -0.24 0.53 -4.36 -0.84 -0.64 121.20 114.09 1nr1 s ILE 325 Ca -0.19 -0.29 -0.06 0.00 -0.26 0.00 0.00 60.65 59.86 1nr1 s ILE 325 Cb 0.07 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.73 1nr1 s ILE 325 CO 0.77 0.35 0.03 -0.22 0.24 0.00 0.00 174.94 176.11 1nr1 s LEU 326 N 1.72 3.27 -0.33 0.37 1.98 -0.48 -0.47 118.68 124.73 1nr1 s LEU 326 Ca 0.05 -0.26 -0.02 0.00 -2.89 0.00 0.00 54.13 51.00 1nr1 s LEU 326 Cb -0.13 -1.87 0.07 0.00 0.66 0.00 0.00 46.19 44.92 1nr1 s LEU 326 CO -0.08 -0.03 0.06 0.27 -1.89 0.00 0.00 176.35 174.68 1nr1 s ILE 327 N 1.56 3.07 -0.49 6.68 -4.36 0.24 -2.16 121.20 125.75 1nr1 s ILE 327 Ca 0.06 -1.58 -0.27 0.00 -0.26 0.00 0.00 60.65 58.59 1nr1 s ILE 327 Cb -0.15 -2.87 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 1nr1 s ILE 327 CO 0.01 -0.28 1.76 -2.84 0.24 0.00 0.00 174.94 173.84 1nr1 s PRO 328 N 1.22 3.01 -0.46 0.37 0.02 -1.24 -0.88 135.00 137.04 1nr1 s PRO 328 Ca -0.01 0.92 0.06 0.00 0.02 0.00 0.00 61.00 61.98 1nr1 s PRO 328 Cb -0.20 -4.27 0.41 0.00 0.02 0.00 0.00 34.50 30.46 1nr1 s PRO 328 CO -0.02 -2.26 1.07 0.00 -0.33 0.00 0.00 177.00 175.46 1nr1 n ALA 329 N 11.29 4.90 -2.00 -1.55 0.00 0.43 -2.32 120.51 131.24 1nr1 n ALA 329 Ca 0.20 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1nr1 n ALA 329 Cb 0.50 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.41 0.00 -1.54 0.00 0.00 -1.21 -4.30 120.51 113.04 1nr1 n ALA 330 Ca 0.36 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.34 1nr1 n ALA 330 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 0.60 -4.36 0.00 7.64 -1.26 -4.74 113.62 111.50 1nr1 n SER 331 Ca 0.00 1.16 -0.30 0.00 1.01 0.00 0.00 58.87 60.75 1nr1 n SER 331 Cb 0.00 -1.19 0.23 0.00 -1.01 0.00 0.00 64.21 62.24 1nr1 n SER 331 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1nr1 n GLU 332 N 0.84 -2.32 -1.01 1.43 2.13 -1.26 -4.17 120.64 116.27 1nr1 n GLU 332 Ca 0.12 -0.66 0.00 0.00 0.66 0.00 0.00 57.16 57.28 1nr1 n GLU 332 Cb 0.30 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1nr1 n GLU 332 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1nr1 n LYS 333 N -3.89 0.00 -0.06 5.31 2.85 0.26 -4.83 118.16 117.80 1nr1 n LYS 333 Ca 0.02 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.10 1nr1 n LYS 333 Cb 0.57 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.82 1nr1 n LYS 333 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1nr1 n GLN 334 N -0.13 0.70 -3.22 -1.58 -0.06 -0.06 -4.71 117.38 108.32 1nr1 n GLN 334 Ca 0.00 0.20 -0.45 0.00 -2.00 0.00 0.00 57.00 54.74 1nr1 n GLN 334 Cb 0.00 -1.63 -0.05 0.00 -4.06 0.00 0.00 30.24 24.50 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 -6.55 5.73 0.42 1.69 1.43 -0.82 -4.94 118.68 115.65 1nr1 s LEU 335 Ca -0.23 -1.55 0.07 0.00 -1.03 0.00 0.00 54.13 51.39 1nr1 s LEU 335 Cb 0.08 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1nr1 s LEU 335 CO 0.73 -0.96 0.16 0.42 0.23 0.00 0.00 176.35 176.92 1nr1 s THR 336 N 2.14 2.19 0.46 5.49 -4.23 -1.26 -2.28 115.64 118.16 1nr1 s THR 336 Ca 0.07 -1.74 0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1nr1 s THR 336 Cb -0.26 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 70.79 1nr1 s THR 336 CO 0.05 0.00 1.41 0.50 -0.54 0.00 0.00 174.62 176.04 1nr1 h LYS 337 N 1.44 0.00 0.39 3.99 3.64 -1.90 0.17 116.57 124.30 1nr1 h LYS 337 Ca -0.43 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1nr1 h LYS 337 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1nr1 h LYS 337 CO 0.71 0.00 -0.19 1.03 -2.27 0.00 0.00 179.45 178.73 1nr1 h SER 338 N 0.00 -0.44 -0.03 4.20 0.87 -1.97 -3.36 113.55 112.81 1nr1 h SER 338 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1nr1 h SER 338 Cb 1.07 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1nr1 h SER 338 CO 0.00 -0.04 0.00 -0.46 -0.53 0.00 0.00 176.83 175.80 1nr1 n ASN 339 N -5.16 2.40 -0.35 6.23 2.04 -0.56 -4.52 115.26 115.34 1nr1 n ASN 339 Ca -0.09 -1.70 0.10 0.00 -0.44 0.00 0.00 54.58 52.45 1nr1 n ASN 339 Cb 0.28 -0.01 0.29 0.00 -2.53 0.00 0.00 39.78 37.81 1nr1 n ASN 339 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nr1 h ALA 340 N 3.23 1.62 -0.17 -2.53 0.00 -0.85 0.34 119.26 120.90 1nr1 h ALA 340 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nr1 h ALA 340 Cb 0.69 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nr1 h ALA 340 CO 0.00 0.10 0.00 -2.30 0.00 0.00 0.00 179.25 177.05 1nr1 n PRO 341 N -4.65 1.95 -0.26 0.00 -0.02 -1.26 -3.41 135.00 127.34 1nr1 n PRO 341 Ca 0.20 -0.84 0.05 0.00 -2.02 0.00 0.00 63.50 60.88 1nr1 n PRO 341 Cb 0.44 -1.59 0.07 0.00 -0.02 0.00 0.00 33.50 32.40 1nr1 n PRO 341 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1nr1 n ARG 342 N 0.16 0.72 -3.32 -0.52 0.63 0.12 -5.05 116.66 109.38 1nr1 n ARG 342 Ca 0.08 -1.78 -0.37 0.00 -0.92 0.00 0.00 57.85 54.86 1nr1 n ARG 342 Cb 0.44 -1.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.28 1nr1 n ARG 342 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1nr1 s VAL 343 N -1.44 4.81 -0.22 5.15 -7.23 -1.15 -4.57 120.40 115.75 1nr1 s VAL 343 Ca 0.16 1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 61.17 1nr1 s VAL 343 Cb 0.14 -3.81 -0.18 0.00 0.56 0.00 0.00 36.38 33.09 1nr1 s VAL 343 CO 0.01 0.40 0.06 0.29 -0.31 0.00 0.00 175.10 175.56 1nr1 n LYS 344 N 1.26 0.60 -1.44 4.82 4.76 -1.25 -4.98 118.16 121.93 1nr1 n LYS 344 Ca -0.08 0.44 -0.44 0.00 -2.87 0.00 0.00 58.31 55.36 1nr1 n LYS 344 Cb 0.51 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 32.03 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 -3.58 -1.87 0.02 7.82 0.00 -1.18 -4.78 120.51 116.94 1nr1 n ALA 345 Ca -0.39 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1nr1 n ALA 345 Cb 0.79 -1.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 1nr1 n ALA 345 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nr1 h LYS 346 N 1.03 0.06 -5.26 0.00 1.79 -1.29 -3.46 116.57 109.45 1nr1 h LYS 346 Ca -0.36 -0.10 -0.67 0.00 -2.18 0.00 0.00 60.65 57.34 1nr1 h LYS 346 Cb 1.41 0.04 -0.33 0.00 -1.58 0.00 0.00 32.23 31.77 1nr1 h LYS 346 CO 0.54 0.77 -0.86 0.42 -1.08 0.00 0.00 179.45 179.25 1nr1 s ILE 347 N -2.63 2.21 -0.24 1.86 1.01 0.19 -1.19 121.20 122.42 1nr1 s ILE 347 Ca -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1nr1 s ILE 347 Cb 0.08 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1nr1 s ILE 347 CO 0.83 0.55 -0.01 -0.63 0.00 0.00 0.00 174.94 175.67 1nr1 s ILE 348 N 0.62 3.49 -0.46 2.92 1.01 0.10 -1.39 121.20 127.48 1nr1 s ILE 348 Ca -0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1nr1 s ILE 348 Cb -0.16 -2.65 0.12 0.00 0.01 0.00 0.00 42.46 39.77 1nr1 s ILE 348 CO 0.03 0.32 0.27 0.00 0.00 0.00 0.00 174.94 175.57 1nr1 s ALA 349 N 1.47 3.28 -0.64 9.38 0.00 -0.92 0.13 121.76 134.46 1nr1 s ALA 349 Ca 0.04 -2.69 -0.26 0.00 0.00 0.00 0.00 51.96 49.05 1nr1 s ALA 349 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1nr1 s ALA 349 CO -0.02 -1.88 2.04 -1.21 0.00 0.00 0.00 175.76 174.69 1nr1 s GLU 350 N 0.92 2.42 0.00 0.00 2.02 -0.66 -3.62 118.70 119.79 1nr1 s GLU 350 Ca 0.10 0.64 0.23 0.00 0.02 0.00 0.00 54.97 55.96 1nr1 s GLU 350 Cb -0.23 -4.57 0.64 0.00 0.10 0.00 0.00 34.13 30.07 1nr1 s GLU 350 CO -0.04 -3.09 1.50 0.41 0.02 0.00 0.00 175.26 174.07 1nr1 n GLY 351 N 6.03 0.70 3.65 -1.39 0.00 -0.98 -4.21 105.19 109.00 1nr1 n GLY 351 Ca 0.29 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1nr1 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 n ALA 352 N 0.74 0.49 -2.59 4.61 0.00 -1.07 -4.84 120.51 117.85 1nr1 n ALA 352 Ca 0.17 -2.28 -0.38 0.00 0.00 0.00 0.00 53.44 50.94 1nr1 n ALA 352 Cb 0.44 1.33 -0.10 0.00 0.00 0.00 0.00 19.45 21.12 1nr1 n ALA 352 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1nr1 s ASN 353 N -3.78 6.09 -0.97 0.00 0.01 -1.26 -4.48 114.94 110.56 1nr1 s ASN 353 Ca 0.06 0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.25 1nr1 s ASN 353 Cb 0.00 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.52 1nr1 s ASN 353 CO 0.04 -0.09 0.83 0.61 -1.51 0.00 0.00 177.10 176.99 1nr1 n GLY 354 N 4.94 -0.15 0.00 0.66 0.00 -1.26 -4.68 105.19 104.70 1nr1 n GLY 354 Ca -0.12 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.67 0.36 -4.02 1.61 -0.04 -1.26 -0.57 135.00 127.40 1nr1 n PRO 355 Ca -0.05 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.31 1nr1 n PRO 355 Cb 0.57 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1nr1 n PRO 355 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1nr1 s THR 356 N -2.50 0.27 0.49 0.52 -4.23 -1.26 -0.88 115.64 108.04 1nr1 s THR 356 Ca 0.23 -0.05 -0.20 0.00 -1.18 0.00 0.00 61.69 60.49 1nr1 s THR 356 Cb 0.15 -0.29 -0.08 0.00 1.34 0.00 0.00 72.50 73.62 1nr1 s THR 356 CO 0.33 0.12 1.02 0.42 -0.54 0.00 0.00 174.62 175.97 1nr1 s THR 357 N 0.46 3.96 0.64 3.99 -4.23 -0.96 -4.86 115.64 114.64 1nr1 s THR 357 Ca -0.05 1.17 0.31 0.00 -1.18 0.00 0.00 61.69 61.94 1nr1 s THR 357 Cb -0.08 -3.49 0.34 0.00 1.34 0.00 0.00 72.50 70.61 1nr1 s THR 357 CO -0.01 -0.32 2.00 -0.65 -0.54 0.00 0.00 174.62 175.11 1nr1 h PRO 358 N 1.46 0.00 0.05 3.99 0.11 -1.99 0.91 132.00 136.54 1nr1 h PRO 358 Ca -0.49 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.34 1nr1 h PRO 358 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1nr1 h PRO 358 CO 0.59 0.00 -1.50 0.93 -0.21 0.00 0.00 178.00 177.81 1nr1 h GLU 359 N 0.00 0.12 -0.33 1.05 4.39 -1.95 -3.22 114.58 114.64 1nr1 h GLU 359 Ca 0.05 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 1nr1 h GLU 359 Cb 0.64 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1nr1 h GLU 359 CO -0.00 0.89 -0.21 0.00 -1.16 0.00 0.00 179.01 178.53 1nr1 h ALA 360 N 0.74 0.47 -0.80 3.43 0.00 -1.16 -2.55 119.26 119.39 1nr1 h ALA 360 Ca -0.22 -0.37 0.17 0.00 0.00 0.00 0.00 54.91 54.49 1nr1 h ALA 360 Cb 1.96 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.54 1nr1 h ALA 360 CO 0.12 0.43 0.30 -0.44 0.00 0.00 0.00 179.25 179.67 1nr1 h ASP 361 N 0.50 0.24 -0.81 0.00 3.32 -1.23 -0.11 116.42 118.32 1nr1 h ASP 361 Ca 0.07 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1nr1 h ASP 361 Cb 0.77 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 1nr1 h ASP 361 CO 0.06 0.04 0.43 0.11 -1.72 0.00 0.00 179.24 178.16 1nr1 h LYS 362 N 0.40 1.14 0.22 3.56 1.57 -1.47 0.53 116.57 122.51 1nr1 h LYS 362 Ca 0.46 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1nr1 h LYS 362 Cb 0.78 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1nr1 h LYS 362 CO -0.47 0.85 -0.11 0.82 -0.57 0.00 0.00 179.45 179.97 1nr1 h ILE 363 N 1.13 0.85 0.10 1.86 1.08 -0.72 -2.05 117.51 119.77 1nr1 h ILE 363 Ca 0.28 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1nr1 h ILE 363 Cb 0.05 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 1nr1 h ILE 363 CO -0.04 0.10 -0.48 -0.26 -0.69 0.00 0.00 178.15 176.78 1nr1 h PHE 364 N -0.53 -1.36 -0.55 1.37 0.04 -1.06 -0.20 116.94 114.65 1nr1 h PHE 364 Ca -0.03 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1nr1 h PHE 364 Cb 0.39 0.58 -0.07 0.00 2.20 0.00 0.00 35.95 39.05 1nr1 h PHE 364 CO 0.00 -0.56 -0.40 1.25 -0.60 0.00 0.00 178.31 178.00 1nr1 h LEU 365 N -0.70 -1.44 -0.30 1.54 6.46 -0.86 -1.40 115.31 118.61 1nr1 h LEU 365 Ca 0.01 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1nr1 h LEU 365 Cb 0.72 0.62 -0.04 0.00 -0.73 0.00 0.00 40.66 41.24 1nr1 h LEU 365 CO -0.28 -0.20 -0.19 -0.33 -0.62 0.00 0.00 178.44 176.82 1nr1 h GLU 366 N -0.10 -0.02 -2.57 1.25 5.08 -0.67 -1.09 114.58 116.47 1nr1 h GLU 366 Ca 0.09 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.94 1nr1 h GLU 366 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1nr1 h GLU 366 CO -0.57 -0.01 2.10 2.89 -1.00 0.00 0.00 179.01 182.42 1nr1 n ARG 367 N -3.71 3.17 -2.47 2.33 1.85 -0.15 -4.84 116.66 112.84 1nr1 n ARG 367 Ca 0.00 -1.96 0.00 0.00 -1.00 0.00 0.00 57.85 54.90 1nr1 n ARG 367 Cb 0.09 -2.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.02 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 2.85 0.00 -4.69 2.89 3.02 -0.41 -4.87 115.26 114.04 1nr1 n ASN 368 Ca 0.64 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.84 1nr1 n ASN 368 Cb 0.48 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.56 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 -3.08 5.23 -0.18 2.41 -1.09 -0.74 -4.81 121.20 118.93 1nr1 s ILE 369 Ca 0.00 0.13 -0.19 0.00 -2.23 0.00 0.00 60.65 58.35 1nr1 s ILE 369 Cb 0.00 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1nr1 s ILE 369 CO 0.00 0.43 0.55 -0.32 -1.23 0.00 0.00 174.94 174.38 1nr1 s MET 370 N 0.46 4.23 -0.24 2.79 -2.45 -0.33 -4.29 119.30 119.46 1nr1 s MET 370 Ca 0.07 0.50 -0.05 0.00 -1.25 0.00 0.00 55.69 54.95 1nr1 s MET 370 Cb -0.12 -3.55 -0.01 0.00 1.25 0.00 0.00 34.83 32.40 1nr1 s MET 370 CO -0.01 -0.13 0.02 0.08 1.05 0.00 0.00 175.02 176.03 1nr1 s VAL 371 N 1.55 3.79 -0.59 10.11 1.01 -1.26 0.01 120.40 135.03 1nr1 s VAL 371 Ca 0.26 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 1nr1 s VAL 371 Cb -0.16 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.52 1nr1 s VAL 371 CO 0.10 0.34 0.81 -0.63 0.00 0.00 0.00 175.10 175.73 1nr1 s ILE 372 N 1.53 4.60 0.44 2.22 1.01 0.35 -4.24 121.20 127.10 1nr1 s ILE 372 Ca 0.05 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 1nr1 s ILE 372 Cb -0.15 -4.52 -0.10 0.00 0.01 0.00 0.00 42.46 37.69 1nr1 s ILE 372 CO 0.00 -1.17 0.89 -0.81 0.00 0.00 0.00 174.94 173.85 1nr1 n PRO 373 N 6.94 1.09 -0.30 2.79 -0.04 -1.26 -1.65 135.00 142.58 1nr1 n PRO 373 Ca -0.05 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1nr1 n PRO 373 Cb 0.45 -1.92 0.07 0.00 -0.04 0.00 0.00 33.50 32.06 1nr1 n PRO 373 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1nr1 h ASP 374 N 1.21 0.98 -0.97 3.54 -0.00 -1.83 0.11 116.42 119.47 1nr1 h ASP 374 Ca -0.44 -0.06 0.32 0.00 -0.00 0.00 0.00 57.03 56.85 1nr1 h ASP 374 Cb 1.36 -0.25 -0.17 0.00 -0.00 0.00 0.00 39.33 40.27 1nr1 h ASP 374 CO 0.55 0.76 0.30 0.25 -0.00 0.00 0.00 179.24 181.10 1nr1 h LEU 375 N 1.13 -0.01 0.00 0.15 5.85 -1.90 -2.80 115.31 117.73 1nr1 h LEU 375 Ca 0.29 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1nr1 h LEU 375 Cb -0.05 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1nr1 h LEU 375 CO -0.06 -0.33 0.00 0.00 -0.34 0.00 0.00 178.44 177.72 1nr1 n TYR 376 N -5.31 0.00 -0.10 1.25 -0.00 -0.90 -4.47 117.16 107.62 1nr1 n TYR 376 Ca 0.29 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.27 1nr1 n TYR 376 Cb 0.96 0.00 0.14 0.00 -0.00 0.00 0.00 39.34 40.43 1nr1 n TYR 376 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1nr1 n LEU 377 N -1.01 0.03 -0.78 2.98 7.94 0.34 0.64 117.00 127.14 1nr1 n LEU 377 Ca 0.00 0.24 0.05 0.00 -1.11 0.00 0.00 56.01 55.19 1nr1 n LEU 377 Cb 0.00 -0.12 0.22 0.00 0.53 0.00 0.00 43.42 44.05 1nr1 n LEU 377 CO 0.00 -0.26 0.66 -0.46 -1.11 0.00 0.00 177.39 176.22 1nr1 n ASN 378 N -2.82 3.05 0.00 1.96 2.04 -1.06 -3.03 115.26 115.41 1nr1 n ASN 378 Ca 0.08 -3.29 0.09 0.00 -0.44 0.00 0.00 54.58 51.02 1nr1 n ASN 378 Cb 0.32 -0.55 0.52 0.00 -2.53 0.00 0.00 39.78 37.55 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 -0.91 2.33 -0.03 -2.53 0.00 0.21 -3.59 120.51 115.99 1nr1 n ALA 379 Ca 0.23 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.58 1nr1 n ALA 379 Cb 0.87 -1.28 0.33 0.00 0.00 0.00 0.00 19.45 19.37 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 3.84 0.64 2.00 0.00 0.00 -1.80 -0.78 103.07 106.96 1nr1 h GLY 380 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1nr1 h GLY 380 CO 0.00 0.29 -0.29 -1.33 0.00 0.00 0.00 176.54 175.22 1nr1 h GLY 381 N 0.76 0.00 0.24 4.60 0.00 -1.75 -1.21 103.07 105.71 1nr1 h GLY 381 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1nr1 h GLY 381 CO -0.01 0.00 -0.12 -2.08 0.00 0.00 0.00 176.54 174.33 1nr1 h VAL 382 N 0.00 0.00 -0.53 4.60 2.07 -1.76 -2.88 116.25 117.76 1nr1 h VAL 382 Ca -0.00 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1nr1 h VAL 382 Cb 1.17 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1nr1 h VAL 382 CO 0.04 0.00 -0.31 0.41 0.02 0.00 0.00 177.57 177.73 1nr1 n THR 383 N -4.07 -0.36 0.26 2.57 -1.04 -0.31 0.14 114.28 111.47 1nr1 n THR 383 Ca -0.04 1.82 0.17 0.00 -2.04 0.00 0.00 64.05 63.96 1nr1 n THR 383 Cb 0.13 -2.30 0.91 0.00 -1.82 0.00 0.00 70.33 67.25 1nr1 n THR 383 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nr1 h VAL 384 N 0.00 0.39 -0.12 12.58 2.07 -1.34 -1.40 116.25 128.42 1nr1 h VAL 384 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1nr1 h VAL 384 Cb 0.22 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1nr1 h VAL 384 CO -0.49 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 177.81 1nr1 h SER 385 N 0.00 0.26 -0.92 0.57 4.64 0.14 -0.11 113.55 118.13 1nr1 h SER 385 Ca 0.04 -0.41 0.19 0.00 -0.47 0.00 0.00 61.79 61.14 1nr1 h SER 385 Cb 0.30 -0.07 -0.18 0.00 -0.31 0.00 0.00 62.40 62.14 1nr1 h SER 385 CO -0.00 0.61 -0.23 0.22 -0.87 0.00 0.00 176.83 176.56 1nr1 h TYR 386 N -0.08 -0.49 -0.22 4.77 -0.00 -0.37 1.14 116.97 121.72 1nr1 h TYR 386 Ca 0.03 0.08 0.01 0.00 -0.00 0.00 0.00 58.73 58.85 1nr1 h TYR 386 Cb 0.51 0.36 -0.01 0.00 -0.00 0.00 0.00 36.73 37.59 1nr1 h TYR 386 CO 0.06 -0.40 0.13 0.74 -0.00 0.00 0.00 178.16 178.70 1nr1 h PHE 387 N 0.00 0.25 -0.89 -3.82 0.05 -1.03 0.64 116.94 112.14 1nr1 h PHE 387 Ca 0.44 0.01 0.04 0.00 3.82 0.00 0.00 57.97 62.28 1nr1 h PHE 387 Cb 0.68 -0.08 -0.06 0.00 2.00 0.00 0.00 35.95 38.49 1nr1 h PHE 387 CO -0.72 0.15 0.57 1.49 -0.18 0.00 0.00 178.31 179.63 1nr1 h GLU 388 N 0.28 1.06 0.54 1.51 4.81 0.29 0.19 114.58 123.26 1nr1 h GLU 388 Ca 0.09 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1nr1 h GLU 388 Cb -0.01 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 1nr1 h GLU 388 CO -0.03 0.70 -0.50 2.35 -0.73 0.00 0.00 179.01 180.79 1nr1 h TRP 389 N 1.09 -1.39 -0.15 0.92 7.01 0.83 -0.48 115.95 123.77 1nr1 h TRP 389 Ca 0.37 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.40 1nr1 h TRP 389 Cb 0.05 0.53 -0.06 0.00 -2.10 0.00 0.00 29.16 27.59 1nr1 h TRP 389 CO -0.02 -0.68 -0.48 -0.07 -2.79 0.00 0.00 178.44 174.40 1nr1 h LEU 390 N -1.03 -1.55 -1.95 0.65 3.38 -0.36 0.23 115.31 114.69 1nr1 h LEU 390 Ca -0.07 0.19 0.36 0.00 0.09 0.00 0.00 57.88 58.44 1nr1 h LEU 390 Cb 0.88 0.61 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 1nr1 h LEU 390 CO -0.04 -0.42 0.92 0.50 0.09 0.00 0.00 178.44 179.49 1nr1 h LYS 391 N -0.49 0.00 0.00 1.13 3.64 -0.37 0.60 116.57 121.08 1nr1 h LYS 391 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1nr1 h LYS 391 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1nr1 h LYS 391 CO -0.41 0.00 -0.19 -0.91 -2.27 0.00 0.00 179.45 175.68 1nr1 h ASN 392 N 0.00 0.00 0.00 4.20 2.35 0.11 -2.27 115.58 119.97 1nr1 h ASN 392 Ca 0.58 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.29 1nr1 h ASN 392 Cb 2.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.77 1nr1 h ASN 392 CO -0.01 0.01 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.35 1nr1 h LEU 393 N 0.00 0.00 -1.51 1.61 3.38 0.54 -3.32 115.31 116.02 1nr1 h LEU 393 Ca 0.00 -0.15 0.33 0.00 0.09 0.00 0.00 57.88 58.15 1nr1 h LEU 393 Cb 0.91 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1nr1 h LEU 393 CO 0.00 0.77 1.08 0.78 0.09 0.00 0.00 178.44 181.16 1nr1 h ASN 394 N -1.00 0.00 -2.07 -0.43 2.35 -0.67 -3.43 115.58 110.32 1nr1 h ASN 394 Ca -0.04 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.31 1nr1 h ASN 394 Cb 0.46 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 1nr1 h ASN 394 CO -0.02 0.00 -0.44 1.41 -1.65 0.00 0.00 177.43 176.73 1nr1 n HIS 395 N -3.56 -0.55 -3.72 1.19 8.25 -0.86 -4.95 115.22 111.01 1nr1 n HIS 395 Ca 0.25 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.57 1nr1 n HIS 395 Cb 1.43 -3.60 -0.08 0.00 1.12 0.00 0.00 29.99 28.86 1nr1 n HIS 395 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nr1 s VAL 396 N -2.84 0.04 0.07 1.59 1.01 -1.20 -5.07 120.40 114.01 1nr1 s VAL 396 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1nr1 s VAL 396 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1nr1 s VAL 396 CO 0.00 -0.19 1.04 -0.94 0.00 0.00 0.00 175.10 175.02 1nr1 s SER 397 N -1.09 7.32 0.27 3.32 1.04 -1.26 -4.73 113.70 118.57 1nr1 s SER 397 Ca -0.11 1.84 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 1nr1 s SER 397 Cb -0.04 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.36 1nr1 s SER 397 CO 0.05 -0.25 1.13 -1.22 0.98 0.00 0.00 173.24 173.92 1nr1 n TYR 398 N 3.39 1.53 0.00 5.02 4.02 -1.26 -2.03 117.16 127.83 1nr1 n TYR 398 Ca 0.05 0.64 0.00 0.00 -0.01 0.00 0.00 57.90 58.59 1nr1 n TYR 398 Cb 0.49 -2.30 0.00 0.00 -0.02 0.00 0.00 39.34 37.50 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 1.44 2.48 0.20 2.72 0.00 -1.26 -3.97 105.19 106.80 1nr1 n GLY 399 Ca 0.10 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1nr1 n GLY 399 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nr1 n ARG 400 N 0.00 -0.05 -1.40 1.61 3.00 -0.86 -0.50 116.66 118.46 1nr1 n ARG 400 Ca 0.00 0.86 -0.24 0.00 -0.00 0.00 0.00 57.85 58.48 1nr1 n ARG 400 Cb 0.00 -1.31 0.10 0.00 0.00 0.00 0.00 32.46 31.25 1nr1 n ARG 400 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1nr1 n LEU 401 N -4.85 6.02 0.00 6.15 4.32 -1.26 -4.61 117.00 122.76 1nr1 n LEU 401 Ca 0.10 -4.24 0.00 0.00 -0.02 0.00 0.00 56.01 51.85 1nr1 n LEU 401 Cb 0.32 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1nr1 n LEU 401 CO -0.06 1.56 0.00 0.35 -1.22 0.00 0.00 177.39 178.02 1nr1 n THR 402 N -0.93 0.00 0.00 -5.08 -2.24 0.35 -4.89 114.28 101.49 1nr1 n THR 402 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1nr1 n THR 402 Cb 0.95 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1nr1 n THR 402 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nr1 n PHE 403 N -1.60 0.00 -0.35 4.78 0.99 -0.71 0.88 117.46 121.46 1nr1 n PHE 403 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1nr1 n PHE 403 Cb 0.00 -0.16 0.29 0.00 -1.00 0.00 0.00 39.48 38.61 1nr1 n PHE 403 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1nr1 h LYS 404 N 0.00 0.78 -0.69 -1.08 1.63 -1.89 0.29 116.57 115.61 1nr1 h LYS 404 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1nr1 h LYS 404 Cb 0.00 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 1nr1 h LYS 404 CO 0.00 0.52 0.43 -0.92 -3.45 0.00 0.00 179.45 176.03 1nr1 h TYR 405 N 0.80 0.89 -0.51 1.91 3.20 -1.01 -1.53 116.97 120.73 1nr1 h TYR 405 Ca 0.55 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.42 1nr1 h TYR 405 Cb 0.78 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1nr1 h TYR 405 CO -0.01 0.59 0.28 1.49 -1.64 0.00 0.00 178.16 178.86 1nr1 h GLU 406 N 0.94 0.70 0.42 1.82 4.22 0.36 -0.91 114.58 122.13 1nr1 h GLU 406 Ca 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1nr1 h GLU 406 Cb -0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1nr1 h GLU 406 CO -0.05 0.55 -0.35 -0.09 -2.18 0.00 0.00 179.01 176.89 1nr1 h ARG 407 N 0.67 -0.74 -0.62 1.92 2.43 -0.11 -0.25 114.38 117.68 1nr1 h ARG 407 Ca 0.18 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.52 1nr1 h ARG 407 Cb 0.05 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.65 1nr1 h ARG 407 CO -0.03 -0.50 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.32 1nr1 h ASP 408 N -0.77 -0.63 0.26 -3.80 3.45 -1.12 -0.27 116.42 113.54 1nr1 h ASP 408 Ca -0.04 0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 1nr1 h ASP 408 Cb 0.67 0.40 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1nr1 h ASP 408 CO -0.02 -0.22 -0.18 -1.28 -1.57 0.00 0.00 179.24 175.97 1nr1 h SER 409 N -0.02 0.00 0.29 6.45 0.87 -0.47 -2.22 113.55 118.45 1nr1 h SER 409 Ca 0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1nr1 h SER 409 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1nr1 h SER 409 CO -0.65 0.18 -0.14 0.78 -0.53 0.00 0.00 176.83 176.47 1nr1 h ASN 410 N 0.00 -0.32 -0.53 6.23 -0.26 0.64 -2.51 115.58 118.82 1nr1 h ASN 410 Ca -0.00 -0.21 0.10 0.00 -0.56 0.00 0.00 56.30 55.63 1nr1 h ASN 410 Cb 0.35 0.08 -0.11 0.00 -1.06 0.00 0.00 38.32 37.59 1nr1 h ASN 410 CO 0.02 0.14 -0.30 1.88 -1.06 0.00 0.00 177.43 178.11 1nr1 h TYR 411 N -0.90 -0.80 -0.75 1.19 0.05 -0.98 0.39 116.97 115.16 1nr1 h TYR 411 Ca -0.04 0.06 0.16 0.00 0.05 0.00 0.00 58.73 58.97 1nr1 h TYR 411 Cb 0.51 0.43 -0.11 0.00 1.01 0.00 0.00 36.73 38.57 1nr1 h TYR 411 CO 0.04 -0.36 0.23 0.45 -1.05 0.00 0.00 178.16 177.47 1nr1 h HIS 412 N -0.16 0.36 -0.46 4.88 3.86 -1.47 1.00 115.15 123.17 1nr1 h HIS 412 Ca 0.23 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1nr1 h HIS 412 Cb 0.53 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.91 1nr1 h HIS 412 CO -0.58 -0.05 0.20 -0.07 0.86 0.00 0.00 177.93 178.29 1nr1 h LEU 413 N 0.32 0.25 0.05 2.43 -0.00 0.13 0.18 115.31 118.67 1nr1 h LEU 413 Ca 0.43 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.35 1nr1 h LEU 413 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1nr1 h LEU 413 CO -0.49 0.18 -0.02 -0.07 -0.00 0.00 0.00 178.44 178.04 1nr1 h LEU 414 N 0.40 -0.05 -1.83 1.67 3.38 0.13 -2.73 115.31 116.28 1nr1 h LEU 414 Ca 0.21 -0.28 0.20 0.00 0.09 0.00 0.00 57.88 58.10 1nr1 h LEU 414 Cb 0.17 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nr1 h LEU 414 CO -0.18 0.25 0.53 0.24 0.09 0.00 0.00 178.44 179.37 1nr1 h MET 415 N -0.36 0.15 0.00 1.13 2.86 0.13 0.41 114.93 119.25 1nr1 h MET 415 Ca -0.01 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1nr1 h MET 415 Cb 0.33 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1nr1 h MET 415 CO 0.01 0.10 -0.60 0.77 1.06 0.00 0.00 176.91 178.24 1nr1 h SER 416 N 0.15 0.00 0.18 1.22 0.02 -0.46 -1.76 113.55 112.91 1nr1 h SER 416 Ca 0.37 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.03 1nr1 h SER 416 Cb 1.25 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.82 1nr1 h SER 416 CO -0.06 0.60 -1.24 0.58 -1.14 0.00 0.00 176.83 175.57 1nr1 h VAL 417 N 0.00 1.30 0.00 2.27 2.07 0.04 -2.55 116.25 119.38 1nr1 h VAL 417 Ca -0.01 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1nr1 h VAL 417 Cb 1.30 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1nr1 h VAL 417 CO 0.08 0.76 0.00 1.67 0.02 0.00 0.00 177.57 180.10 1nr1 n GLN 418 N -3.77 0.00 -0.33 1.57 7.27 -0.17 -1.11 117.38 120.84 1nr1 n GLN 418 Ca -0.13 0.31 0.15 0.00 0.07 0.00 0.00 57.00 57.39 1nr1 n GLN 418 Cb 0.99 -1.28 0.29 0.00 2.41 0.00 0.00 30.24 32.64 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 -1.43 -0.08 0.03 3.69 1.02 -0.67 0.04 120.64 123.24 1nr1 n GLU 419 Ca 0.00 1.45 -0.11 0.00 -0.02 0.00 0.00 57.16 58.48 1nr1 n GLU 419 Cb 0.00 -2.30 -0.05 0.00 -0.02 0.00 0.00 31.44 29.07 1nr1 n GLU 419 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1nr1 h SER 420 N 0.00 -0.16 0.30 1.62 0.87 -1.40 -2.54 113.55 112.24 1nr1 h SER 420 Ca 0.59 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 61.12 1nr1 h SER 420 Cb 1.21 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1nr1 h SER 420 CO -0.91 -0.08 -0.28 -0.07 -0.53 0.00 0.00 176.83 174.97 1nr1 h LEU 421 N -0.08 0.00 -0.56 2.23 4.07 0.12 -1.97 115.31 119.13 1nr1 h LEU 421 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1nr1 h LEU 421 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1nr1 h LEU 421 CO -0.09 0.28 0.00 -0.62 -1.08 0.00 0.00 178.44 176.93 1nr1 n GLU 422 N -4.16 0.99 0.00 1.13 1.02 0.15 -1.93 120.64 117.85 1nr1 n GLU 422 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1nr1 n GLU 422 Cb 0.33 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1nr1 n GLU 422 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nr1 n ARG 423 N -0.22 1.91 -2.89 3.49 0.63 -0.74 -3.93 116.66 114.92 1nr1 n ARG 423 Ca 0.00 -0.69 -0.28 0.00 -0.92 0.00 0.00 57.85 55.96 1nr1 n ARG 423 Cb 0.14 -1.16 -0.03 0.00 0.45 0.00 0.00 32.46 31.86 1nr1 n ARG 423 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1nr1 n LYS 424 N -0.20 3.47 0.00 -0.14 3.00 -0.81 -4.77 118.16 118.71 1nr1 n LYS 424 Ca 0.05 -4.84 0.00 0.00 -0.00 0.00 0.00 58.31 53.52 1nr1 n LYS 424 Cb 0.26 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.03 1nr1 n LYS 424 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1nr1 n PHE 425 N -0.24 0.00 -1.07 5.64 -0.00 -1.26 -5.03 117.46 115.49 1nr1 n PHE 425 Ca 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.67 1nr1 n PHE 425 Cb 0.38 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.75 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 -0.26 3.38 7.13 0.00 -1.26 -4.80 105.19 109.38 1nr1 n GLY 426 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 5.10 1.85 -0.39 1.61 2.47 -1.25 -5.09 119.74 124.04 1nr1 s LYS 427 Ca 0.68 -2.10 0.07 0.00 -1.56 0.00 0.00 55.97 53.05 1nr1 s LYS 427 Cb -0.44 -0.03 0.32 0.00 -1.46 0.00 0.00 37.83 36.22 1nr1 s LYS 427 CO 0.29 -0.60 1.28 -2.39 0.16 0.00 0.00 175.35 174.09 1nr1 n HIS 428 N -0.76 -2.05 0.00 4.03 -0.00 -1.26 -4.91 115.22 110.27 1nr1 n HIS 428 Ca 0.02 -1.67 0.00 0.00 -0.00 0.00 0.00 57.72 56.07 1nr1 n HIS 428 Cb 0.63 1.52 0.00 0.00 -0.00 0.00 0.00 29.99 32.14 1nr1 n HIS 428 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nr1 n GLY 429 N -0.44 -0.08 0.00 -1.39 0.00 -1.26 -5.11 105.19 96.91 1nr1 n GLY 429 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.43 3.65 -0.02 0.00 -1.26 -4.68 105.19 101.45 1nr1 n GLY 430 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 1nr1 n GLY 430 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nr1 n THR 431 N 0.00 0.28 -3.86 2.61 -1.04 -1.26 -4.94 114.28 106.07 1nr1 n THR 431 Ca 0.00 -0.09 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 1nr1 n THR 431 Cb 0.00 -1.27 -0.12 0.00 -1.82 0.00 0.00 70.33 67.12 1nr1 n THR 431 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1nr1 s ILE 432 N 4.31 2.99 -0.12 12.58 1.09 -1.26 -4.87 121.20 135.92 1nr1 s ILE 432 Ca 1.01 -2.70 0.17 0.00 -1.10 0.00 0.00 60.65 58.03 1nr1 s ILE 432 Cb -1.05 -3.05 -0.21 0.00 -1.06 0.00 0.00 42.46 37.08 1nr1 s ILE 432 CO 0.63 -0.75 0.52 -2.65 -0.10 0.00 0.00 174.94 172.59 1nr1 n PRO 433 N 3.83 0.65 0.30 2.79 -0.02 -1.26 -4.23 135.00 137.05 1nr1 n PRO 433 Ca 0.04 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1nr1 n PRO 433 Cb 0.38 -1.69 0.03 0.00 -0.02 0.00 0.00 33.50 32.20 1nr1 n PRO 433 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1nr1 h ILE 434 N 0.00 0.00 -3.42 4.25 -0.00 -1.90 -3.38 117.51 113.07 1nr1 h ILE 434 Ca -0.30 0.00 -0.58 0.00 -0.00 0.00 0.00 64.86 63.98 1nr1 h ILE 434 Cb 1.84 0.02 -0.08 0.00 -0.00 0.00 0.00 36.82 38.61 1nr1 h ILE 434 CO 0.05 0.00 0.74 0.54 -0.00 0.00 0.00 178.15 179.48 1nr1 s VAL 435 N -3.79 4.52 0.56 0.16 0.11 -1.26 -4.94 120.40 115.76 1nr1 s VAL 435 Ca -0.00 1.47 -0.18 0.00 -2.93 0.00 0.00 61.98 60.35 1nr1 s VAL 435 Cb 0.00 -4.39 -0.05 0.00 -1.53 0.00 0.00 36.38 30.41 1nr1 s VAL 435 CO 0.01 -0.54 1.06 -2.84 -3.33 0.00 0.00 175.10 169.46 1nr1 s PRO 436 N 3.63 3.45 0.53 1.54 0.02 -1.26 -5.00 135.00 137.91 1nr1 s PRO 436 Ca 0.42 1.31 -0.22 0.00 0.02 0.00 0.00 61.00 62.53 1nr1 s PRO 436 Cb -0.12 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 1nr1 s PRO 436 CO 0.18 -0.72 1.38 0.95 -0.33 0.00 0.00 177.00 178.46 1nr1 s THR 437 N -2.22 2.05 0.36 0.99 -4.23 -1.26 -4.61 115.64 106.72 1nr1 s THR 437 Ca 0.66 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.36 1nr1 s THR 437 Cb -0.17 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.01 1nr1 s THR 437 CO 0.31 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.12 1nr1 h ALA 438 N 1.62 2.06 0.70 3.99 0.00 -1.98 0.37 119.26 126.00 1nr1 h ALA 438 Ca -0.51 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1nr1 h ALA 438 Cb 1.29 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1nr1 h ALA 438 CO 0.58 -0.53 -0.33 0.93 0.00 0.00 0.00 179.25 179.90 1nr1 h GLU 439 N 0.44 -0.90 -0.66 0.00 3.07 -2.00 -2.09 114.58 112.45 1nr1 h GLU 439 Ca 0.64 0.06 0.14 0.00 -0.50 0.00 0.00 59.36 59.70 1nr1 h GLU 439 Cb 1.48 0.20 -0.12 0.00 -0.84 0.00 0.00 28.75 29.47 1nr1 h GLU 439 CO -0.40 -0.57 -0.10 0.35 -1.40 0.00 0.00 179.01 176.89 1nr1 h PHE 440 N -1.10 -0.23 -0.73 4.33 -0.00 -1.18 -0.40 116.94 117.63 1nr1 h PHE 440 Ca -0.10 0.06 0.11 0.00 -0.00 0.00 0.00 57.97 58.04 1nr1 h PHE 440 Cb 0.75 0.20 -0.05 0.00 -0.00 0.00 0.00 35.95 36.85 1nr1 h PHE 440 CO -0.00 -0.25 0.48 0.37 -0.00 0.00 0.00 178.31 178.91 1nr1 h GLN 441 N 0.04 0.55 0.57 1.11 5.75 -0.23 0.22 115.11 123.13 1nr1 h GLN 441 Ca 0.33 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 1nr1 h GLN 441 Cb 0.53 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.96 1nr1 h GLN 441 CO -0.64 0.37 -0.28 -0.44 -2.65 0.00 0.00 178.83 175.19 1nr1 h ASP 442 N 0.57 -0.65 -0.94 -0.69 3.45 -0.39 -1.90 116.42 115.86 1nr1 h ASP 442 Ca 0.34 -0.04 0.22 0.00 0.43 0.00 0.00 57.03 57.98 1nr1 h ASP 442 Cb 0.56 0.17 -0.12 0.00 -0.56 0.00 0.00 39.33 39.38 1nr1 h ASP 442 CO -0.12 -0.30 0.50 -0.09 -1.57 0.00 0.00 179.24 177.66 1nr1 h ARG 443 N -1.04 0.52 -0.26 3.56 2.43 -0.60 0.44 114.38 119.44 1nr1 h ARG 443 Ca -0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1nr1 h ARG 443 Cb 0.65 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1nr1 h ARG 443 CO 0.13 0.35 0.03 0.82 -1.51 0.00 0.00 179.97 179.78 1nr1 h ILE 444 N 0.54 1.24 -0.00 1.20 1.08 -0.88 -2.13 117.51 118.55 1nr1 h ILE 444 Ca 0.58 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1nr1 h ILE 444 Cb 1.05 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1nr1 h ILE 444 CO -0.47 0.26 -0.01 -1.20 -0.69 0.00 0.00 178.15 176.03 1nr1 n SER 445 N -4.66 0.28 -0.06 1.72 7.64 -0.36 -3.53 113.62 114.66 1nr1 n SER 445 Ca -0.03 -0.90 0.02 0.00 1.01 0.00 0.00 58.87 58.97 1nr1 n SER 445 Cb 0.22 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.10 0.15 2.37 0.23 0.00 0.00 -5.03 105.19 104.02 1nr1 n GLY 446 Ca 0.21 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1nr1 n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 n ALA 447 N -0.74 0.17 -3.13 4.61 0.00 -0.81 -4.88 120.51 115.73 1nr1 n ALA 447 Ca 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1nr1 n ALA 447 Cb 0.09 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1nr1 n ALA 447 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nr1 s SER 448 N 4.85 -0.28 0.08 0.00 1.04 -1.26 -5.07 113.70 113.05 1nr1 s SER 448 Ca 0.89 -0.08 -0.14 0.00 0.48 0.00 0.00 55.95 57.10 1nr1 s SER 448 Cb -1.03 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 1nr1 s SER 448 CO 0.44 -0.73 0.70 1.21 0.98 0.00 0.00 173.24 175.85 1nr1 n GLU 449 N 0.28 -0.20 -0.32 4.02 2.13 -1.25 -0.33 120.64 124.97 1nr1 n GLU 449 Ca -0.18 0.69 0.16 0.00 0.66 0.00 0.00 57.16 58.50 1nr1 n GLU 449 Cb 0.61 -1.02 0.33 0.00 0.27 0.00 0.00 31.44 31.63 1nr1 n GLU 449 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1nr1 h LYS 450 N 0.00 0.09 -0.83 5.31 2.10 -1.93 0.26 116.57 121.57 1nr1 h LYS 450 Ca 0.08 -0.01 0.20 0.00 -2.00 0.00 0.00 60.65 58.93 1nr1 h LYS 450 Cb 0.19 -0.02 -0.13 0.00 -0.90 0.00 0.00 32.23 31.37 1nr1 h LYS 450 CO -0.43 0.06 0.20 -0.44 -2.00 0.00 0.00 179.45 176.84 1nr1 h ASP 451 N 0.09 -0.01 0.32 7.07 3.32 -1.05 0.53 116.42 126.70 1nr1 h ASP 451 Ca 0.61 0.18 -0.21 0.00 0.02 0.00 0.00 57.03 57.63 1nr1 h ASP 451 Cb 1.32 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 1nr1 h ASP 451 CO -0.78 -0.11 -0.87 0.40 -1.72 0.00 0.00 179.24 176.16 1nr1 h ILE 452 N 0.23 1.40 0.78 0.35 2.04 -0.63 -2.16 117.51 119.52 1nr1 h ILE 452 Ca 0.50 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 1nr1 h ILE 452 Cb 0.95 2.32 0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1nr1 h ILE 452 CO -0.61 0.71 -0.37 0.58 0.00 0.00 0.00 178.15 178.45 1nr1 h VAL 453 N 0.24 0.00 -0.83 1.67 2.07 -0.17 -0.61 116.25 118.62 1nr1 h VAL 453 Ca -0.06 -0.18 0.21 0.00 0.82 0.00 0.00 66.70 67.49 1nr1 h VAL 453 Cb 1.49 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.12 1nr1 h VAL 453 CO 0.15 0.00 0.15 0.45 0.02 0.00 0.00 177.57 178.34 1nr1 h HIS 454 N -1.23 0.21 -0.65 1.57 3.86 -0.15 0.53 115.15 119.30 1nr1 h HIS 454 Ca -0.11 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 1nr1 h HIS 454 Cb 0.80 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 1nr1 h HIS 454 CO 0.01 -0.21 0.24 1.03 0.86 0.00 0.00 177.93 179.86 1nr1 h SER 455 N 0.18 0.90 -0.13 2.45 0.87 -1.33 0.78 113.55 117.27 1nr1 h SER 455 Ca 0.50 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1nr1 h SER 455 Cb 0.95 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1nr1 h SER 455 CO -0.65 0.84 0.06 1.23 -0.53 0.00 0.00 176.83 177.78 1nr1 h GLY 456 N 0.91 0.21 0.49 5.77 0.00 0.15 -1.74 103.07 108.86 1nr1 h GLY 456 Ca 0.21 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1nr1 h GLY 456 CO -0.01 0.10 -0.15 -2.00 0.00 0.00 0.00 176.54 174.47 1nr1 h LEU 457 N 0.08 -0.47 -2.13 3.11 6.46 -0.07 -0.52 115.31 121.77 1nr1 h LEU 457 Ca 0.05 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1nr1 h LEU 457 Cb 0.13 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1nr1 h LEU 457 CO -0.01 -0.20 -0.04 0.00 -0.62 0.00 0.00 178.44 177.57 1nr1 h ALA 458 N 0.84 1.69 -0.01 1.25 0.00 -0.69 -1.00 119.26 121.34 1nr1 h ALA 458 Ca 0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1nr1 h ALA 458 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nr1 h ALA 458 CO -0.23 0.05 -0.95 -0.92 0.00 0.00 0.00 179.25 177.21 1nr1 h TYR 459 N 0.00 0.68 0.13 0.00 -0.00 -0.29 -2.54 116.97 114.96 1nr1 h TYR 459 Ca -0.00 -0.37 -0.01 0.00 -0.00 0.00 0.00 58.73 58.36 1nr1 h TYR 459 Cb 0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 36.74 1nr1 h TYR 459 CO 0.00 1.19 -0.06 1.15 -0.00 0.00 0.00 178.16 180.43 1nr1 h THR 460 N 0.26 0.68 -0.95 1.81 2.02 -0.48 -2.09 112.91 114.16 1nr1 h THR 460 Ca -0.08 -1.22 0.26 0.00 0.77 0.00 0.00 66.41 66.14 1nr1 h THR 460 Cb 1.58 1.20 -0.14 0.00 -1.74 0.00 0.00 68.15 69.06 1nr1 h THR 460 CO 0.17 0.20 0.47 0.24 0.37 0.00 0.00 175.52 176.97 1nr1 h MET 461 N -0.95 0.37 0.18 6.66 2.86 -1.33 0.44 114.93 123.16 1nr1 h MET 461 Ca -0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1nr1 h MET 461 Cb 0.46 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1nr1 h MET 461 CO 0.03 0.25 -0.09 1.49 1.06 0.00 0.00 176.91 179.65 1nr1 h GLU 462 N 0.38 -0.24 -0.02 1.72 4.81 -1.51 -1.22 114.58 118.51 1nr1 h GLU 462 Ca 0.64 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1nr1 h GLU 462 Cb 1.31 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1nr1 h GLU 462 CO -0.57 0.07 -0.02 0.00 -0.73 0.00 0.00 179.01 177.76 1nr1 h ALA 463 N 0.19 -0.01 -0.49 2.92 0.00 -0.37 -2.68 119.26 118.82 1nr1 h ALA 463 Ca -0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1nr1 h ALA 463 Cb 0.42 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1nr1 h ALA 463 CO 0.04 -0.51 0.24 0.77 0.00 0.00 0.00 179.25 179.79 1nr1 h SER 464 N -0.03 0.35 -0.58 0.00 0.02 -0.22 -1.35 113.55 111.74 1nr1 h SER 464 Ca 0.02 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1nr1 h SER 464 Cb 0.06 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.47 1nr1 h SER 464 CO -0.04 0.24 0.08 0.00 -1.14 0.00 0.00 176.83 175.97 1nr1 h ALA 465 N 1.26 0.64 0.00 3.77 0.00 -0.98 0.12 119.26 124.07 1nr1 h ALA 465 Ca 0.21 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1nr1 h ALA 465 Cb 0.12 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nr1 h ALA 465 CO -0.15 -0.34 -0.15 0.00 0.00 0.00 0.00 179.25 178.61 1nr1 h ARG 466 N 0.20 0.00 -0.00 0.00 3.08 -1.03 -0.44 114.38 116.18 1nr1 h ARG 466 Ca 0.30 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 1nr1 h ARG 466 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1nr1 h ARG 466 CO -0.43 0.15 -0.55 1.96 -1.07 0.00 0.00 179.97 180.03 1nr1 h GLN 467 N 0.00 0.38 0.68 0.04 4.20 0.19 -1.41 115.11 119.19 1nr1 h GLN 467 Ca -0.00 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1nr1 h GLN 467 Cb 0.49 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1nr1 h GLN 467 CO 0.02 1.08 -0.40 0.82 -0.67 0.00 0.00 178.83 179.67 1nr1 h ILE 468 N -0.15 0.00 -0.99 2.54 1.08 -0.55 -1.46 117.51 117.98 1nr1 h ILE 468 Ca -0.07 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.70 1nr1 h ILE 468 Cb 1.27 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.87 1nr1 h ILE 468 CO 0.11 0.00 0.54 0.24 -0.69 0.00 0.00 178.15 178.35 1nr1 h MET 469 N -1.01 0.34 0.00 2.37 2.86 -1.14 1.07 114.93 119.42 1nr1 h MET 469 Ca -0.09 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1nr1 h MET 469 Cb 0.80 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1nr1 h MET 469 CO 0.10 0.23 -0.52 -0.09 1.06 0.00 0.00 176.91 177.69 1nr1 h ARG 470 N 0.35 0.00 0.21 1.72 2.43 -0.95 -2.72 114.38 115.42 1nr1 h ARG 470 Ca 0.70 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 59.55 1nr1 h ARG 470 Cb 1.55 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.13 1nr1 h ARG 470 CO -0.59 0.52 -1.40 1.15 -1.51 0.00 0.00 179.97 178.14 1nr1 h THR 471 N 0.00 1.33 -0.41 0.20 2.02 0.21 -1.36 112.91 114.89 1nr1 h THR 471 Ca -0.01 -2.74 0.07 0.00 0.77 0.00 0.00 66.41 64.51 1nr1 h THR 471 Cb 1.00 2.98 -0.06 0.00 -1.74 0.00 0.00 68.15 70.32 1nr1 h THR 471 CO 0.07 0.82 0.01 0.00 0.37 0.00 0.00 175.52 176.79 1nr1 h ALA 472 N 0.26 0.39 0.10 6.16 0.00 -0.47 -0.62 119.26 125.08 1nr1 h ALA 472 Ca -0.22 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nr1 h ALA 472 Cb 2.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1nr1 h ALA 472 CO 0.26 -0.38 -0.05 0.52 0.00 0.00 0.00 179.25 179.60 1nr1 h MET 473 N 0.12 -0.12 -0.93 0.00 2.07 -1.48 0.68 114.93 115.27 1nr1 h MET 473 Ca 0.20 0.01 0.28 0.00 -2.07 0.00 0.00 59.70 58.12 1nr1 h MET 473 Cb 0.28 0.03 -0.15 0.00 -1.87 0.00 0.00 31.60 29.89 1nr1 h MET 473 CO -0.32 0.04 0.32 -0.22 1.07 0.00 0.00 176.91 177.80 1nr1 h LYS 474 N -0.27 0.19 -0.41 1.72 3.64 -0.71 0.11 116.57 120.84 1nr1 h LYS 474 Ca -0.01 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1nr1 h LYS 474 Cb 0.23 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.90 1nr1 h LYS 474 CO 0.02 0.13 0.03 0.66 -2.27 0.00 0.00 179.45 178.02 1nr1 n TYR 475 N -5.22 1.30 -4.14 1.91 4.01 -0.29 -5.01 117.16 109.73 1nr1 n TYR 475 Ca 0.26 -1.40 -0.35 0.00 -0.16 0.00 0.00 57.90 56.24 1nr1 n TYR 475 Cb 0.82 -0.50 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.91 -0.95 -4.87 7.72 5.15 0.39 -4.96 115.26 116.84 1nr1 n ASN 476 Ca 0.33 -1.10 -0.33 0.00 -0.60 0.00 0.00 54.58 52.88 1nr1 n ASN 476 Cb 1.07 -1.39 -0.05 0.00 -0.53 0.00 0.00 39.78 38.88 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 -6.55 4.22 0.00 1.20 1.43 -0.05 -5.00 118.68 113.92 1nr1 s LEU 477 Ca 0.54 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1nr1 s LEU 477 Cb -0.31 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1nr1 s LEU 477 CO 0.89 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 178.06 1nr1 n GLY 478 N 0.13 0.63 1.02 -3.19 0.00 -1.26 -4.57 105.19 97.95 1nr1 n GLY 478 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 2.85 -1.75 0.99 4.32 -1.26 -4.47 117.00 117.68 1nr1 n LEU 479 Ca 0.00 -1.45 -0.06 0.00 -0.02 0.00 0.00 56.01 54.48 1nr1 n LEU 479 Cb 0.00 -0.56 -0.08 0.00 -1.62 0.00 0.00 43.42 41.16 1nr1 n LEU 479 CO 0.00 0.46 1.27 -0.67 -1.22 0.00 0.00 177.39 177.23 1nr1 n ASP 480 N 0.14 5.15 -0.31 -1.43 -0.08 -1.26 -4.00 116.55 114.75 1nr1 n ASP 480 Ca 0.09 -2.41 0.10 0.00 -1.51 0.00 0.00 54.79 51.07 1nr1 n ASP 480 Cb 0.60 -1.23 0.23 0.00 2.34 0.00 0.00 41.12 43.05 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 3.98 -0.45 -0.66 -2.67 4.07 -1.78 -1.10 115.31 116.69 1nr1 h LEU 481 Ca 0.09 0.25 0.14 0.00 0.08 0.00 0.00 57.88 58.44 1nr1 h LEU 481 Cb 1.21 0.44 -0.11 0.00 1.08 0.00 0.00 40.66 43.28 1nr1 h LEU 481 CO 0.11 -0.28 0.07 -0.09 -1.08 0.00 0.00 178.44 177.17 1nr1 h ARG 482 N 0.05 0.17 0.00 1.13 2.43 -1.83 0.49 114.38 116.82 1nr1 h ARG 482 Ca 0.52 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.65 1nr1 h ARG 482 Cb 1.01 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1nr1 h ARG 482 CO -0.83 0.11 -0.17 1.79 -1.51 0.00 0.00 179.97 179.36 1nr1 h THR 483 N 0.17 0.29 -0.04 0.20 1.35 -1.62 -2.53 112.91 110.73 1nr1 h THR 483 Ca 0.36 -1.39 -0.20 0.00 -0.55 0.00 0.00 66.41 64.63 1nr1 h THR 483 Cb 0.59 2.12 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1nr1 h THR 483 CO -0.52 0.16 -0.83 0.00 -0.25 0.00 0.00 175.52 174.09 1nr1 h ALA 484 N 1.83 0.49 0.75 6.62 0.00 -0.65 -2.26 119.26 126.04 1nr1 h ALA 484 Ca -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1nr1 h ALA 484 Cb 1.11 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1nr1 h ALA 484 CO 0.02 0.79 -0.36 0.00 0.00 0.00 0.00 179.25 179.70 1nr1 h ALA 485 N 0.84 -1.00 -0.79 0.00 0.00 0.15 -0.83 119.26 117.63 1nr1 h ALA 485 Ca -0.05 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1nr1 h ALA 485 Cb 1.43 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 1nr1 h ALA 485 CO 0.14 -1.05 0.52 1.88 0.00 0.00 0.00 179.25 180.74 1nr1 h TYR 486 N -1.04 0.82 -0.50 0.00 0.05 -1.50 0.17 116.97 114.96 1nr1 h TYR 486 Ca -0.10 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 1nr1 h TYR 486 Cb 0.78 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1nr1 h TYR 486 CO -0.02 0.40 0.22 0.28 -1.05 0.00 0.00 178.16 178.00 1nr1 h VAL 487 N 0.78 1.20 0.17 -2.88 2.07 -1.26 0.28 116.25 116.61 1nr1 h VAL 487 Ca 0.35 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1nr1 h VAL 487 Cb 0.35 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1nr1 h VAL 487 CO -0.13 0.23 -0.28 -1.13 0.02 0.00 0.00 177.57 176.28 1nr1 h ASN 488 N 0.67 -0.80 -0.51 0.57 -1.24 0.47 0.19 115.58 114.94 1nr1 h ASN 488 Ca 0.17 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1nr1 h ASN 488 Cb 0.15 0.29 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 1nr1 h ASN 488 CO -0.02 -0.38 0.27 0.00 -1.29 0.00 0.00 177.43 176.01 1nr1 h ALA 489 N 0.14 1.45 -0.11 1.57 0.00 -1.00 -2.56 119.26 118.75 1nr1 h ALA 489 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1nr1 h ALA 489 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1nr1 h ALA 489 CO -0.13 0.44 -0.58 0.82 0.00 0.00 0.00 179.25 179.80 1nr1 h ILE 490 N 0.76 1.36 -0.22 0.00 2.04 -0.29 -0.72 117.51 120.44 1nr1 h ILE 490 Ca 0.19 -1.89 -0.10 0.00 1.00 0.00 0.00 64.86 64.06 1nr1 h ILE 490 Cb 0.07 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1nr1 h ILE 490 CO -0.03 0.57 -0.30 -0.33 0.00 0.00 0.00 178.15 178.06 1nr1 h GLU 491 N 0.26 0.44 0.00 2.37 5.08 -0.34 -2.25 114.58 120.14 1nr1 h GLU 491 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1nr1 h GLU 491 Cb 1.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1nr1 h GLU 491 CO 0.10 0.70 0.00 1.63 -1.00 0.00 0.00 179.01 180.43 1nr1 n LYS 492 N -4.09 0.00 -0.33 2.33 5.02 -0.97 -2.06 118.16 118.05 1nr1 n LYS 492 Ca -0.01 0.40 0.27 0.00 -2.02 0.00 0.00 58.31 56.95 1nr1 n LYS 492 Cb 0.43 -1.22 0.51 0.00 -0.02 0.00 0.00 35.03 34.73 1nr1 n LYS 492 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nr1 h VAL 493 N 0.00 0.15 -0.56 -0.18 2.07 -1.24 0.48 116.25 116.97 1nr1 h VAL 493 Ca 0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1nr1 h VAL 493 Cb 0.00 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 1nr1 h VAL 493 CO 0.00 0.03 0.22 0.15 0.02 0.00 0.00 177.57 177.99 1nr1 h PHE 494 N 0.16 0.85 0.51 1.57 3.57 -1.46 -2.83 116.94 119.32 1nr1 h PHE 494 Ca 0.77 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 62.19 1nr1 h PHE 494 Cb 1.89 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 40.37 1nr1 h PHE 494 CO -0.04 0.69 -0.34 -0.22 -2.23 0.00 0.00 178.31 176.17 1nr1 h LYS 495 N 0.77 -0.78 -0.97 1.11 3.64 0.54 0.51 116.57 121.39 1nr1 h LYS 495 Ca 0.19 0.05 0.29 0.00 -1.27 0.00 0.00 60.65 59.91 1nr1 h LYS 495 Cb 0.20 0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 32.02 1nr1 h LYS 495 CO -0.02 -0.52 0.14 0.28 -2.27 0.00 0.00 179.45 177.06 1nr1 h VAL 496 N -0.81 0.07 0.72 2.00 2.07 -1.47 0.75 116.25 119.57 1nr1 h VAL 496 Ca -0.07 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1nr1 h VAL 496 Cb 0.66 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1nr1 h VAL 496 CO 0.05 0.01 -0.34 1.88 0.02 0.00 0.00 177.57 179.18 1nr1 h TYR 497 N 0.04 -0.89 -0.99 1.57 0.05 -1.17 -3.21 116.97 112.37 1nr1 h TYR 497 Ca 0.63 -0.02 0.19 0.00 0.05 0.00 0.00 58.73 59.58 1nr1 h TYR 497 Cb 1.36 0.30 -0.18 0.00 1.01 0.00 0.00 36.73 39.22 1nr1 h TYR 497 CO -0.39 -0.55 -0.28 -0.97 -1.05 0.00 0.00 178.16 174.92 1nr1 h ASN 498 N -1.13 -1.04 0.00 3.88 -0.00 0.55 -0.47 115.58 117.36 1nr1 h ASN 498 Ca -0.10 0.30 -0.03 0.00 -0.00 0.00 0.00 56.30 56.48 1nr1 h ASN 498 Cb 0.74 0.65 -0.01 0.00 -0.00 0.00 0.00 38.32 39.69 1nr1 h ASN 498 CO 0.16 -0.32 -0.04 -0.62 -0.00 0.00 0.00 177.43 176.61 1nr1 n GLU 499 N -5.59 0.96 0.00 6.67 1.02 0.86 -4.14 120.64 120.42 1nr1 n GLU 499 Ca 0.15 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1nr1 n GLU 499 Cb 0.47 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 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 1.76 0.00 0.00 0.62 0.00 -0.26 -5.01 120.51 117.63 1nr1 n ALA 500 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1nr1 n ALA 500 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.91 0.00 1.85 0.00 0.00 -0.78 -3.65 105.19 101.70 1nr1 n GLY 501 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.50 1.61 0.24 -1.26 -4.62 118.33 113.80 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 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.49 0.00 -2.06 3.34 -2.24 -1.26 -4.28 114.28 105.29 1nr1 n THR 503 Ca 0.00 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 1nr1 n THR 503 Cb 0.00 1.50 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.06 2.63 0.73 4.78 0.99 -1.26 -5.27 117.46 120.00 1nr1 n PHE 504 Ca 0.00 -2.21 0.09 0.00 -0.00 0.00 0.00 57.45 55.33 1nr1 n PHE 504 Cb 0.12 -0.33 0.07 0.00 -1.00 0.00 0.00 39.48 38.35 1nr1 n PHE 504 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39