#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr1 n PRO 11 N 0.00 0.28 -3.64 0.11 -0.02 -1.26 -5.11 135.00 125.37 1nr1 n PRO 11 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1nr1 n PRO 11 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 1nr1 n PRO 11 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nr1 s ASN 12 N -1.53 -0.62 0.24 2.55 4.22 -1.26 -5.05 114.94 113.49 1nr1 s ASN 12 Ca 0.00 1.10 0.10 0.00 -2.14 0.00 0.00 52.86 51.92 1nr1 s ASN 12 Cb 0.00 1.17 0.79 0.00 1.28 0.00 0.00 41.25 44.49 1nr1 s ASN 12 CO 0.00 -0.18 1.09 2.22 -2.04 0.00 0.00 177.10 178.18 1nr1 n PHE 13 N 3.02 0.68 -0.01 1.54 1.16 -1.26 -0.21 117.46 122.38 1nr1 n PHE 13 Ca -0.15 0.82 -0.10 0.00 -1.87 0.00 0.00 57.45 56.15 1nr1 n PHE 13 Cb 0.57 -1.17 -0.03 0.00 -1.61 0.00 0.00 39.48 37.24 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 -0.78 0.09 2.97 3.57 -1.94 0.61 116.94 121.46 1nr1 h PHE 14 Ca 0.53 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 62.06 1nr1 h PHE 14 Cb 1.31 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.42 1nr1 h PHE 14 CO -0.13 -0.37 -0.04 0.87 -2.23 0.00 0.00 178.31 176.41 1nr1 h LYS 15 N -0.35 -0.12 -0.10 1.11 1.79 -1.01 -2.18 116.57 115.71 1nr1 h LYS 15 Ca 0.10 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1nr1 h LYS 15 Cb 0.51 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1nr1 h LYS 15 CO -0.34 0.29 -0.17 0.52 -1.08 0.00 0.00 179.45 178.67 1nr1 h MET 16 N -0.56 -0.14 -0.44 3.15 2.86 -0.81 1.29 114.93 120.29 1nr1 h MET 16 Ca -0.01 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1nr1 h MET 16 Cb 0.46 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1nr1 h MET 16 CO 0.02 -0.09 0.31 0.28 1.06 0.00 0.00 176.91 178.49 1nr1 h VAL 17 N -0.14 0.83 -0.07 -2.22 2.07 0.09 0.20 116.25 117.01 1nr1 h VAL 17 Ca 0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1nr1 h VAL 17 Cb 0.19 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1nr1 h VAL 17 CO -0.17 0.02 -0.04 -0.08 0.02 0.00 0.00 177.57 177.32 1nr1 h GLU 18 N 0.11 0.15 0.00 1.57 4.81 -0.39 -1.42 114.58 119.40 1nr1 h GLU 18 Ca 0.21 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1nr1 h GLU 18 Cb 0.68 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1nr1 h GLU 18 CO -0.02 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.19 1nr1 n GLY 19 N 0.03 -2.93 0.25 1.92 0.00 0.43 -1.13 105.19 103.77 1nr1 n GLY 19 Ca -0.07 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 1nr1 n GLY 19 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nr1 n PHE 20 N -2.63 -0.20 -0.16 1.61 0.99 -0.14 0.15 117.46 117.09 1nr1 n PHE 20 Ca 0.00 0.76 -0.02 0.00 -0.00 0.00 0.00 57.45 58.19 1nr1 n PHE 20 Cb 0.00 -0.59 0.06 0.00 -1.00 0.00 0.00 39.48 37.95 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 0.07 0.19 1.38 3.57 -0.40 -1.23 116.94 120.52 1nr1 h PHE 21 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1nr1 h PHE 21 Cb 0.28 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1nr1 h PHE 21 CO -0.61 -0.06 -0.09 -0.44 -2.23 0.00 0.00 178.31 174.88 1nr1 h ASP 22 N 0.17 -0.22 -0.24 0.41 3.32 0.30 0.19 116.42 120.35 1nr1 h ASP 22 Ca 0.25 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1nr1 h ASP 22 Cb 0.36 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1nr1 h ASP 22 CO -0.37 -0.10 -0.44 -0.09 -1.72 0.00 0.00 179.24 176.52 1nr1 h ARG 23 N -0.32 -0.36 -0.37 3.56 1.12 -0.30 -1.61 114.38 116.11 1nr1 h ARG 23 Ca -0.03 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.82 1nr1 h ARG 23 Cb 0.25 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.27 1nr1 h ARG 23 CO 0.04 -0.24 0.03 0.78 -3.11 0.00 0.00 179.97 177.48 1nr1 h GLY 24 N -0.37 0.61 0.57 2.80 0.00 -1.21 -3.02 103.07 102.44 1nr1 h GLY 24 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1nr1 h GLY 24 CO -0.43 0.32 -0.09 0.00 0.00 0.00 0.00 176.54 176.35 1nr1 h ALA 25 N 1.50 0.03 0.11 3.60 0.00 0.15 -1.16 119.26 123.49 1nr1 h ALA 25 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nr1 h ALA 25 Cb 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nr1 h ALA 25 CO 0.01 -0.54 -0.10 0.66 0.00 0.00 0.00 179.25 179.28 1nr1 h SER 26 N -0.09 -0.27 -0.96 0.00 4.64 -1.28 0.12 113.55 115.72 1nr1 h SER 26 Ca 0.09 0.03 0.23 0.00 -0.47 0.00 0.00 61.79 61.66 1nr1 h SER 26 Cb 0.22 0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 1nr1 h SER 26 CO -0.21 -0.16 0.63 0.40 -0.87 0.00 0.00 176.83 176.62 1nr1 h ILE 27 N -0.24 0.62 0.19 0.95 1.08 -1.34 -1.06 117.51 117.72 1nr1 h ILE 27 Ca 0.00 -0.13 -0.26 0.00 -0.39 0.00 0.00 64.86 64.08 1nr1 h ILE 27 Cb 0.22 0.20 0.03 0.00 -3.07 0.00 0.00 36.82 34.20 1nr1 h ILE 27 CO -0.02 0.07 -1.12 0.58 -0.69 0.00 0.00 178.15 176.97 1nr1 h VAL 28 N 0.39 1.40 -0.75 1.67 2.07 -0.64 -3.37 116.25 117.02 1nr1 h VAL 28 Ca 0.51 -2.58 0.09 0.00 0.82 0.00 0.00 66.70 65.54 1nr1 h VAL 28 Cb 1.32 3.08 -0.11 0.00 -1.52 0.00 0.00 31.29 34.06 1nr1 h VAL 28 CO -0.20 0.76 -0.51 -0.08 0.02 0.00 0.00 177.57 177.56 1nr1 h GLU 29 N -0.10 -0.15 0.22 1.57 4.81 0.60 0.90 114.58 122.43 1nr1 h GLU 29 Ca -0.19 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1nr1 h GLU 29 Cb 1.88 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.28 1nr1 h GLU 29 CO 0.21 -0.10 -0.21 -0.44 -0.73 0.00 0.00 179.01 177.74 1nr1 h ASP 30 N -0.15 -0.57 -0.20 1.04 3.32 -1.74 -1.73 116.42 116.40 1nr1 h ASP 30 Ca 0.18 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1nr1 h ASP 30 Cb 0.52 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1nr1 h ASP 30 CO -0.80 -0.28 -0.11 0.50 -1.72 0.00 0.00 179.24 176.84 1nr1 h LYS 31 N -0.42 -0.09 -0.63 3.56 3.11 -1.68 -2.55 116.57 117.87 1nr1 h LYS 31 Ca -0.03 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.94 1nr1 h LYS 31 Cb 0.36 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 31.52 1nr1 h LYS 31 CO -0.02 -0.06 0.09 1.25 -2.81 0.00 0.00 179.45 177.91 1nr1 h LEU 32 N -0.09 -0.09 0.00 5.20 5.85 0.82 -3.07 115.31 123.93 1nr1 h LEU 32 Ca 0.11 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1nr1 h LEU 32 Cb 0.25 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1nr1 h LEU 32 CO -0.25 -0.04 0.00 0.52 -0.34 0.00 0.00 178.44 178.32 1nr1 n VAL 33 N -5.19 0.00 0.00 1.05 0.31 -0.65 -3.75 118.33 110.11 1nr1 n VAL 33 Ca 0.10 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.74 1nr1 n VAL 33 Cb 0.36 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 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 -1.49 0.00 0.23 5.55 0.28 -1.00 0.05 120.64 124.25 1nr1 n GLU 34 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1nr1 n GLU 34 Cb 0.00 0.00 0.31 0.00 1.43 0.00 0.00 31.44 33.18 1nr1 n GLU 34 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1nr1 h ASP 35 N 0.00 0.00 0.41 -1.84 -0.00 -1.86 1.70 116.42 114.83 1nr1 h ASP 35 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.72 1nr1 h ASP 35 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.30 1nr1 h ASP 35 CO 0.00 0.00 -1.72 -0.07 -0.00 0.00 0.00 179.24 177.45 1nr1 h LEU 36 N 0.00 0.16 0.00 0.15 3.38 -1.73 -3.44 115.31 113.83 1nr1 h LEU 36 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1nr1 h LEU 36 Cb 1.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1nr1 h LEU 36 CO 0.00 1.29 0.00 -2.11 0.09 0.00 0.00 178.44 177.71 1nr1 n ARG 37 N -3.23 0.00 0.00 1.13 -4.01 -0.76 -4.85 116.66 104.93 1nr1 n ARG 37 Ca -0.20 0.00 0.08 0.00 -1.04 0.00 0.00 57.85 56.69 1nr1 n ARG 37 Cb 1.04 -0.02 0.43 0.00 -3.04 0.00 0.00 32.46 30.88 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 0.44 -0.34 8.89 -1.04 0.57 -3.43 114.28 119.38 1nr1 n THR 38 Ca 0.00 0.11 0.14 0.00 -2.04 0.00 0.00 64.05 62.26 1nr1 n THR 38 Cb 0.01 -0.83 0.28 0.00 -1.82 0.00 0.00 70.33 67.97 1nr1 n THR 38 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nr1 h ARG 39 N 0.00 0.02 -0.61 -2.82 3.08 -1.84 0.53 114.38 112.73 1nr1 h ARG 39 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nr1 h ARG 39 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1nr1 h ARG 39 CO 0.00 0.01 0.00 -0.85 -1.07 0.00 0.00 179.97 178.06 1nr1 n GLU 40 N -5.48 4.52 -0.76 0.04 0.28 -1.22 -4.99 120.64 113.02 1nr1 n GLU 40 Ca 0.22 -3.08 -0.04 0.00 -0.16 0.00 0.00 57.16 54.11 1nr1 n GLU 40 Cb 0.74 -2.14 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 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 0.83 -1.27 -4.68 -1.84 3.41 0.19 -4.84 113.62 105.42 1nr1 n SER 41 Ca 0.27 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.66 1nr1 n SER 41 Cb 1.10 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 3.72 4.36 0.00 4.33 2.02 -1.26 -3.59 118.70 128.28 1nr1 s GLU 42 Ca 0.22 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.34 1nr1 s GLU 42 Cb -0.14 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.54 1nr1 s GLU 42 CO 0.10 -0.28 0.00 0.39 0.02 0.00 0.00 175.26 175.49 1nr1 n GLU 43 N 4.97 0.00 -0.92 1.61 -0.58 -1.26 -2.88 120.64 121.59 1nr1 n GLU 43 Ca 0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1nr1 n GLU 43 Cb 0.49 -3.59 -0.01 0.00 -0.57 0.00 0.00 31.44 27.76 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 -2.00 -1.90 -0.25 3.49 -0.06 -1.24 -4.71 117.38 110.72 1nr1 n GLN 44 Ca 0.00 0.50 -0.04 0.00 -2.00 0.00 0.00 57.00 55.46 1nr1 n GLN 44 Cb 0.00 -4.64 0.05 0.00 -4.06 0.00 0.00 30.24 21.59 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 0.33 1.36 0.22 3.69 5.02 -1.14 -3.49 118.16 124.15 1nr1 n LYS 45 Ca -0.03 -0.65 0.14 0.00 -2.02 0.00 0.00 58.31 55.76 1nr1 n LYS 45 Cb 0.43 -1.32 0.43 0.00 -0.02 0.00 0.00 35.03 34.55 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 0.32 0.00 0.00 1.97 2.47 -1.84 -1.85 114.38 115.45 1nr1 h ARG 46 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1nr1 h ARG 46 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1nr1 h ARG 46 CO 0.22 0.00 -0.39 -0.97 0.56 0.00 0.00 179.97 179.39 1nr1 h ASN 47 N 0.00 0.00 0.35 7.04 -1.24 -1.96 -3.29 115.58 116.47 1nr1 h ASN 47 Ca 0.00 -0.07 -0.32 0.00 0.71 0.00 0.00 56.30 56.62 1nr1 h ASN 47 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.77 1nr1 h ASN 47 CO 0.00 0.03 -1.62 -0.09 -1.29 0.00 0.00 177.43 174.47 1nr1 h ARG 48 N 0.00 0.31 0.00 6.67 2.43 -1.62 -3.22 114.38 118.95 1nr1 h ARG 48 Ca 0.00 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1nr1 h ARG 48 Cb 0.85 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1nr1 h ARG 48 CO 0.00 1.20 0.00 1.55 -1.51 0.00 0.00 179.97 181.21 1nr1 n VAL 49 N -3.51 0.00 0.73 0.20 3.14 -0.99 -1.26 118.33 116.64 1nr1 n VAL 49 Ca -0.20 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.32 1nr1 n VAL 49 Cb 1.06 -0.36 0.47 0.00 -1.06 0.00 0.00 33.84 33.94 1nr1 n VAL 49 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nr1 n ARG 50 N -0.57 0.19 -0.61 1.45 1.85 -1.22 -3.57 116.66 114.18 1nr1 n ARG 50 Ca 0.01 0.15 0.49 0.00 -1.00 0.00 0.00 57.85 57.50 1nr1 n ARG 50 Cb 0.01 -1.72 0.81 0.00 -1.05 0.00 0.00 32.46 30.51 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 4.64 0.03 -0.22 2.89 0.00 -1.43 0.83 103.07 109.80 1nr1 h GLY 51 Ca 0.00 -0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.56 1nr1 h GLY 51 CO 0.00 -0.01 0.42 -2.22 0.00 0.00 0.00 176.54 174.73 1nr1 h ILE 52 N 0.00 0.47 0.00 2.60 2.04 -1.84 0.76 117.51 121.53 1nr1 h ILE 52 Ca 0.85 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 66.51 1nr1 h ILE 52 Cb 3.39 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1nr1 h ILE 52 CO -0.02 0.07 -0.28 -0.07 0.00 0.00 0.00 178.15 177.86 1nr1 h LEU 53 N 0.41 0.00 -0.16 1.44 4.07 0.39 -0.04 115.31 121.43 1nr1 h LEU 53 Ca 0.58 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 58.32 1nr1 h LEU 53 Cb 1.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 1nr1 h LEU 53 CO -0.53 0.28 -0.97 0.08 -1.08 0.00 0.00 178.44 176.22 1nr1 h ARG 54 N 0.00 0.16 -0.44 1.13 0.11 0.37 -2.77 114.38 112.94 1nr1 h ARG 54 Ca -0.00 -0.21 -0.05 0.00 0.10 0.00 0.00 59.98 59.82 1nr1 h ARG 54 Cb 0.54 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 1nr1 h ARG 54 CO 0.04 1.00 0.07 0.82 0.10 0.00 0.00 179.97 182.00 1nr1 h ILE 55 N 0.07 1.25 0.22 0.08 2.04 -0.43 -3.22 117.51 117.52 1nr1 h ILE 55 Ca -0.05 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1nr1 h ILE 55 Cb 1.64 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1nr1 h ILE 55 CO 0.14 0.31 -0.18 0.40 0.00 0.00 0.00 178.15 178.83 1nr1 h ILE 56 N 0.59 0.61 -0.71 -0.67 2.04 -1.03 -3.30 117.51 115.04 1nr1 h ILE 56 Ca 0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.14 1nr1 h ILE 56 Cb 0.38 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 1nr1 h ILE 56 CO 0.01 0.00 0.20 0.50 0.00 0.00 0.00 178.15 178.85 1nr1 h LYS 57 N -0.41 0.30 -6.23 2.37 3.64 -1.49 -3.42 116.57 111.33 1nr1 h LYS 57 Ca -0.01 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.79 1nr1 h LYS 57 Cb 0.37 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1nr1 h LYS 57 CO -0.02 0.20 0.79 -1.25 -2.27 0.00 0.00 179.45 176.90 1nr1 s PRO 58 N -6.05 4.30 -0.37 1.90 0.04 -1.25 -4.94 135.00 128.62 1nr1 s PRO 58 Ca -0.13 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 1nr1 s PRO 58 Cb 0.20 -3.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 1nr1 s PRO 58 CO 0.75 -0.56 2.33 0.00 0.04 0.00 0.00 177.00 179.56 1nr1 h ASN 60 N 17.10 -1.94 -4.29 0.00 4.21 -1.26 -3.44 115.58 125.96 1nr1 h ASN 60 Ca -0.31 0.29 -0.52 0.00 1.21 0.00 0.00 56.30 56.97 1nr1 h ASN 60 Cb 1.26 0.85 -0.23 0.00 -1.12 0.00 0.00 38.32 39.08 1nr1 h ASN 60 CO 1.07 -0.30 -0.82 -1.00 -1.29 0.00 0.00 177.43 175.09 1nr1 s HIS 61 N -5.62 1.59 -0.21 1.19 3.76 -0.73 -5.03 115.29 110.24 1nr1 s HIS 61 Ca -0.13 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.29 1nr1 s HIS 61 Cb 0.11 -0.90 0.09 0.00 1.11 0.00 0.00 32.58 32.98 1nr1 s HIS 61 CO 0.63 0.12 0.47 0.54 -0.85 0.00 0.00 174.74 175.65 1nr1 s VAL 62 N -1.03 -0.49 -0.16 -0.90 0.11 -1.26 -0.18 120.40 116.49 1nr1 s VAL 62 Ca 0.04 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1nr1 s VAL 62 Cb -0.09 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1nr1 s VAL 62 CO 0.03 0.05 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.53 1nr1 s LEU 63 N 2.28 2.83 0.02 2.54 2.96 -0.49 -4.99 118.68 123.82 1nr1 s LEU 63 Ca -0.05 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1nr1 s LEU 63 Cb -0.11 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1nr1 s LEU 63 CO -0.14 0.11 0.01 -0.44 -1.32 0.00 0.00 176.35 174.57 1nr1 s SER 64 N 0.70 5.19 0.37 3.68 0.01 -1.26 -1.85 113.70 120.53 1nr1 s SER 64 Ca -0.05 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.23 1nr1 s SER 64 Cb -0.15 -1.36 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 1nr1 s SER 64 CO 0.02 0.26 0.07 -0.76 0.41 0.00 0.00 173.24 173.24 1nr1 s LEU 65 N -1.72 2.15 -0.29 2.44 1.43 0.04 -4.97 118.68 117.76 1nr1 s LEU 65 Ca 0.21 -1.49 0.04 0.00 -1.03 0.00 0.00 54.13 51.87 1nr1 s LEU 65 Cb -0.12 -0.34 0.19 0.00 0.03 0.00 0.00 46.19 45.96 1nr1 s LEU 65 CO 0.12 -0.72 0.58 -0.94 0.23 0.00 0.00 176.35 175.62 1nr1 s SER 66 N -3.56 -1.43 0.13 2.29 1.04 -1.25 -2.87 113.70 108.05 1nr1 s SER 66 Ca 0.30 0.29 0.06 0.00 0.48 0.00 0.00 55.95 57.08 1nr1 s SER 66 Cb 0.06 1.99 -0.04 0.00 0.10 0.00 0.00 66.02 68.14 1nr1 s SER 66 CO 0.14 -0.30 -0.15 0.72 0.98 0.00 0.00 173.24 174.64 1nr1 s PHE 67 N 2.81 1.46 0.47 5.02 -0.12 -0.12 -4.91 117.98 122.60 1nr1 s PHE 67 Ca 0.12 -0.54 0.08 0.00 -0.05 0.00 0.00 56.93 56.54 1nr1 s PHE 67 Cb -0.11 -0.76 0.02 0.00 -0.63 0.00 0.00 43.02 41.54 1nr1 s PHE 67 CO -0.25 0.17 0.55 -1.25 -0.05 0.00 0.00 175.22 174.39 1nr1 s PRO 68 N -2.70 2.56 0.02 1.99 0.04 -1.26 0.57 135.00 136.22 1nr1 s PRO 68 Ca 0.10 -1.51 -0.16 0.00 0.04 0.00 0.00 61.00 59.47 1nr1 s PRO 68 Cb -0.05 -2.55 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1nr1 s PRO 68 CO 0.03 -0.42 0.35 0.96 0.04 0.00 0.00 177.00 177.96 1nr1 s ILE 69 N -2.51 0.06 -0.53 0.56 -4.36 -0.33 -4.88 121.20 109.22 1nr1 s ILE 69 Ca 0.52 -0.53 -0.15 0.00 -0.26 0.00 0.00 60.65 60.23 1nr1 s ILE 69 Cb -0.06 -0.83 0.13 0.00 1.25 0.00 0.00 42.46 42.95 1nr1 s ILE 69 CO 0.32 -0.29 0.48 -0.60 0.24 0.00 0.00 174.94 175.09 1nr1 s ARG 70 N -2.02 2.95 0.47 0.37 3.52 -1.26 -2.14 118.95 120.83 1nr1 s ARG 70 Ca -0.08 -1.70 -0.22 0.00 -0.13 0.00 0.00 55.73 53.59 1nr1 s ARG 70 Cb -0.02 -4.26 -0.09 0.00 -1.56 0.00 0.00 34.95 29.01 1nr1 s ARG 70 CO 0.00 -1.31 0.87 0.54 -0.81 0.00 0.00 175.30 174.60 1nr1 n ARG 71 N 5.22 1.04 -0.36 5.12 1.74 -0.48 -4.79 116.66 124.16 1nr1 n ARG 71 Ca -0.13 0.38 0.37 0.00 -0.77 0.00 0.00 57.85 57.70 1nr1 n ARG 71 Cb 0.40 -1.95 0.67 0.00 -1.02 0.00 0.00 32.46 30.56 1nr1 n ARG 71 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1nr1 h ASP 72 N 1.06 0.00 0.00 0.55 3.32 -1.96 0.21 116.42 119.59 1nr1 h ASP 72 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1nr1 h ASP 72 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1nr1 h ASP 72 CO 0.54 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 1nr1 n ASP 73 N -3.72 0.00 0.00 6.45 3.85 -1.26 -4.86 116.55 117.01 1nr1 n ASP 73 Ca 0.29 -1.09 0.00 0.00 -0.71 0.00 0.00 54.79 53.28 1nr1 n ASP 73 Cb 1.51 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.28 1nr1 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nr1 n GLY 74 N 0.79 0.78 3.94 6.12 0.00 0.72 -5.06 105.19 112.49 1nr1 n GLY 74 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.85 5.04 -0.14 1.61 1.04 -1.23 -4.89 113.70 112.29 1nr1 s SER 75 Ca 0.00 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1nr1 s SER 75 Cb 0.00 -1.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.04 1nr1 s SER 75 CO 0.00 -1.39 -0.17 0.26 0.98 0.00 0.00 173.24 172.92 1nr1 s TRP 76 N -3.06 2.74 0.04 5.02 0.51 -1.26 -1.38 118.94 121.55 1nr1 s TRP 76 Ca 0.59 -0.97 0.04 0.00 -2.12 0.00 0.00 56.10 53.64 1nr1 s TRP 76 Cb -0.11 -1.84 -0.02 0.00 -0.81 0.00 0.00 33.47 30.69 1nr1 s TRP 76 CO 0.43 -0.41 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.32 1nr1 s GLU 77 N 0.63 0.88 -0.25 4.98 2.12 -0.91 -4.99 118.70 121.16 1nr1 s GLU 77 Ca -0.09 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.46 1nr1 s GLU 77 Cb -0.16 -0.87 -0.01 0.00 0.26 0.00 0.00 34.13 33.35 1nr1 s GLU 77 CO 0.03 0.21 0.03 0.14 -0.54 0.00 0.00 175.26 175.13 1nr1 s VAL 78 N -0.84 3.91 0.01 3.70 -7.23 -1.26 -1.18 120.40 117.50 1nr1 s VAL 78 Ca 0.01 -0.38 -0.08 0.00 -1.81 0.00 0.00 61.98 59.72 1nr1 s VAL 78 Cb -0.08 -2.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 1nr1 s VAL 78 CO 0.01 0.32 0.29 -0.63 -0.31 0.00 0.00 175.10 174.78 1nr1 s ILE 79 N 1.54 5.26 0.27 -0.62 -1.09 0.19 -4.84 121.20 121.92 1nr1 s ILE 79 Ca 0.05 0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.81 1nr1 s ILE 79 Cb -0.15 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1nr1 s ILE 79 CO 0.01 0.39 0.20 -1.83 -1.23 0.00 0.00 174.94 172.47 1nr1 s GLU 80 N -1.68 2.84 0.12 2.79 -1.05 -1.26 -0.94 118.70 119.51 1nr1 s GLU 80 Ca 0.27 -1.13 -0.26 0.00 -0.15 0.00 0.00 54.97 53.70 1nr1 s GLU 80 Cb -0.13 -2.51 0.07 0.00 -0.44 0.00 0.00 34.13 31.12 1nr1 s GLU 80 CO 0.15 0.34 0.99 0.20 0.95 0.00 0.00 175.26 177.90 1nr1 s GLY 81 N -3.86 -0.27 0.16 -3.83 0.00 -1.14 -2.43 107.32 95.95 1nr1 s GLY 81 Ca 0.34 0.29 -0.08 0.00 0.00 0.00 0.00 44.72 45.27 1nr1 s GLY 81 CO 0.25 0.05 0.26 -0.19 0.00 0.00 0.00 173.10 173.47 1nr1 s TYR 82 N -3.17 0.43 -0.30 1.90 1.51 0.95 -0.78 117.35 117.89 1nr1 s TYR 82 Ca 0.12 -0.80 -0.10 0.00 -1.01 0.00 0.00 57.07 55.28 1nr1 s TYR 82 Cb -0.01 -0.10 0.14 0.00 -0.11 0.00 0.00 41.96 41.89 1nr1 s TYR 82 CO 0.00 -0.69 0.70 0.50 -1.11 0.00 0.00 175.55 174.95 1nr1 s ARG 83 N -3.97 0.53 0.03 -0.62 6.06 -0.77 -0.94 118.95 119.27 1nr1 s ARG 83 Ca 0.17 1.32 0.08 0.00 -2.50 0.00 0.00 55.73 54.80 1nr1 s ARG 83 Cb 0.04 0.79 -0.02 0.00 0.06 0.00 0.00 34.95 35.81 1nr1 s ARG 83 CO -0.00 -0.21 -0.23 0.00 -2.50 0.00 0.00 175.30 172.35 1nr1 s ALA 84 N 2.83 1.98 -0.24 6.12 0.00 0.25 -1.39 121.76 131.31 1nr1 s ALA 84 Ca -0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1nr1 s ALA 84 Cb -0.11 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1nr1 s ALA 84 CO -0.19 0.46 -0.09 -0.65 0.00 0.00 0.00 175.76 175.30 1nr1 s GLN 85 N -1.07 2.73 -0.03 0.00 -0.21 0.75 -0.40 119.66 121.44 1nr1 s GLN 85 Ca 0.09 -1.04 -0.18 0.00 0.02 0.00 0.00 55.36 54.26 1nr1 s GLN 85 Cb -0.09 -2.91 -0.10 0.00 1.00 0.00 0.00 33.01 30.90 1nr1 s GLN 85 CO 0.01 -0.41 0.76 1.25 -2.12 0.00 0.00 175.29 174.78 1nr1 h HIS 86 N 7.95 -0.55 -3.34 0.91 -0.00 0.84 -1.91 115.15 119.06 1nr1 h HIS 86 Ca -0.32 -0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 59.69 1nr1 h HIS 86 Cb 1.10 0.18 -0.15 0.00 -0.00 0.00 0.00 27.41 28.54 1nr1 h HIS 86 CO 0.57 -0.30 -0.72 0.45 -0.00 0.00 0.00 177.93 177.93 1nr1 s SER 87 N -4.89 1.89 -0.04 3.26 0.15 -1.19 -1.79 113.70 111.09 1nr1 s SER 87 Ca -0.10 -0.99 0.09 0.00 0.70 0.00 0.00 55.95 55.65 1nr1 s SER 87 Cb 0.01 -0.03 0.16 0.00 -1.71 0.00 0.00 66.02 64.45 1nr1 s SER 87 CO 0.30 -0.30 1.07 0.00 1.20 0.00 0.00 173.24 175.52 1nr1 n GLN 88 N -0.15 0.38 0.05 5.44 3.00 -1.26 -3.91 117.38 120.93 1nr1 n GLN 88 Ca -0.10 -1.64 0.08 0.00 -0.01 0.00 0.00 57.00 55.32 1nr1 n GLN 88 Cb 0.60 -0.71 0.34 0.00 0.00 0.00 0.00 30.24 30.48 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 -0.30 0.30 -3.61 1.08 1.44 -1.26 -3.89 115.22 108.98 1nr1 n HIS 89 Ca 0.06 0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.61 1nr1 n HIS 89 Cb 0.76 -0.71 -0.16 0.00 0.12 0.00 0.00 29.99 30.01 1nr1 n HIS 89 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1nr1 s ARG 90 N -3.14 0.32 0.00 -1.40 6.06 -1.26 -5.00 118.95 114.52 1nr1 s ARG 90 Ca 0.04 -0.54 0.00 0.00 -2.50 0.00 0.00 55.73 52.74 1nr1 s ARG 90 Cb 0.08 -1.55 0.00 0.00 0.06 0.00 0.00 34.95 33.53 1nr1 s ARG 90 CO 0.26 -0.90 0.00 2.41 -2.50 0.00 0.00 175.30 174.56 1nr1 n THR 91 N 5.16 0.00 -2.57 4.11 -1.04 -1.25 -1.56 114.28 117.12 1nr1 n THR 91 Ca -0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1nr1 n THR 91 Cb 0.44 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.93 1nr1 n THR 91 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1nr1 s PRO 92 N -0.75 3.61 0.56 -2.82 0.02 -1.26 -4.58 135.00 129.79 1nr1 s PRO 92 Ca 0.00 0.45 -0.21 0.00 0.02 0.00 0.00 61.00 61.26 1nr1 s PRO 92 Cb 0.00 -3.97 -0.04 0.00 0.02 0.00 0.00 34.50 30.51 1nr1 s PRO 92 CO 0.00 -1.54 1.35 0.00 -0.33 0.00 0.00 177.00 176.48 1nr1 s LYS 94 N -2.98 1.44 -0.20 0.00 2.47 0.06 0.30 119.74 120.84 1nr1 s LYS 94 Ca 0.73 -0.41 -0.31 0.00 -1.56 0.00 0.00 55.97 54.42 1nr1 s LYS 94 Cb -0.40 -1.25 0.15 0.00 -1.46 0.00 0.00 37.83 34.87 1nr1 s LYS 94 CO 0.47 0.10 1.18 0.20 0.16 0.00 0.00 175.35 177.46 1nr1 s GLY 95 N 0.38 -0.17 0.57 5.54 0.00 -1.13 -2.15 107.32 110.36 1nr1 s GLY 95 Ca -0.08 2.09 -0.09 0.00 0.00 0.00 0.00 44.72 46.64 1nr1 s GLY 95 CO 0.02 0.85 0.78 0.61 0.00 0.00 0.00 173.10 175.36 1nr1 n GLY 96 N 0.34 -1.03 2.73 0.20 0.00 -1.26 -0.95 105.19 105.22 1nr1 n GLY 96 Ca -0.03 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1nr1 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nr1 s ILE 97 N -2.62 0.36 -0.13 -0.61 -1.09 0.34 -2.13 121.20 115.33 1nr1 s ILE 97 Ca 0.45 -0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.61 1nr1 s ILE 97 Cb -0.01 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 1nr1 s ILE 97 CO 0.31 -0.01 0.11 -0.60 -1.23 0.00 0.00 174.94 173.52 1nr1 s ARG 98 N 1.95 3.49 -0.89 2.79 3.52 -0.81 -3.71 118.95 125.29 1nr1 s ARG 98 Ca 0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1nr1 s ARG 98 Cb -0.15 -3.15 0.22 0.00 -1.56 0.00 0.00 34.95 30.31 1nr1 s ARG 98 CO -0.07 0.67 0.80 0.66 -0.81 0.00 0.00 175.30 176.55 1nr1 n TYR 99 N 2.30 4.10 -3.74 5.12 0.53 -1.26 -0.04 117.16 124.17 1nr1 n TYR 99 Ca -0.19 -4.09 -0.12 0.00 -1.02 0.00 0.00 57.90 52.47 1nr1 n TYR 99 Cb 0.54 -1.09 -0.12 0.00 -1.03 0.00 0.00 39.34 37.64 1nr1 n TYR 99 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1nr1 s SER 100 N -0.39 -0.30 0.05 7.72 0.15 -0.57 -4.23 113.70 116.13 1nr1 s SER 100 Ca 0.28 0.57 0.01 0.00 0.70 0.00 0.00 55.95 57.51 1nr1 s SER 100 Cb -0.05 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1nr1 s SER 100 CO -0.12 -0.15 0.74 0.41 1.20 0.00 0.00 173.24 175.33 1nr1 n THR 101 N 3.84 0.64 -0.98 6.45 -1.04 -0.75 -0.19 114.28 122.25 1nr1 n THR 101 Ca -0.21 0.54 0.09 0.00 -2.04 0.00 0.00 64.05 62.42 1nr1 n THR 101 Cb 0.55 -1.54 0.24 0.00 -1.82 0.00 0.00 70.33 67.76 1nr1 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1nr1 n ASP 102 N -1.30 3.68 -4.77 8.00 5.75 -1.26 -4.87 116.55 121.78 1nr1 n ASP 102 Ca -0.00 -3.00 -0.32 0.00 -0.01 0.00 0.00 54.79 51.46 1nr1 n ASP 102 Cb 0.35 -0.52 0.07 0.00 -1.03 0.00 0.00 41.12 40.00 1nr1 n ASP 102 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1nr1 s VAL 103 N -2.79 3.27 -0.28 2.12 -7.23 0.74 -5.03 120.40 111.20 1nr1 s VAL 103 Ca 0.40 0.48 -0.19 0.00 -1.81 0.00 0.00 61.98 60.87 1nr1 s VAL 103 Cb 0.33 -2.98 0.12 0.00 0.56 0.00 0.00 36.38 34.41 1nr1 s VAL 103 CO 0.08 -0.47 0.92 -0.94 -0.31 0.00 0.00 175.10 174.38 1nr1 s SER 104 N -3.05 -0.59 0.15 4.85 1.04 -1.26 -4.92 113.70 109.92 1nr1 s SER 104 Ca 0.64 1.01 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 1nr1 s SER 104 Cb -0.19 1.17 0.27 0.00 0.10 0.00 0.00 66.02 67.37 1nr1 s SER 104 CO 0.50 -0.16 0.83 0.52 0.98 0.00 0.00 173.24 175.91 1nr1 n VAL 105 N 3.35 -0.22 -0.01 5.02 0.31 -1.26 0.19 118.33 125.71 1nr1 n VAL 105 Ca -0.17 1.21 -0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1nr1 n VAL 105 Cb 0.57 -1.69 0.29 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.52 0.58 4.52 5.19 -1.98 0.94 116.42 126.19 1nr1 h ASP 106 Ca 0.27 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 1nr1 h ASP 106 Cb 0.43 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1nr1 h ASP 106 CO -0.54 0.57 -0.31 -0.08 -3.12 0.00 0.00 179.24 175.76 1nr1 h GLU 107 N 0.54 -0.79 -0.98 3.56 4.81 0.17 -1.89 114.58 120.00 1nr1 h GLU 107 Ca 0.12 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1nr1 h GLU 107 Cb 0.30 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 1nr1 h GLU 107 CO 0.01 -0.53 0.62 -0.39 -0.73 0.00 0.00 179.01 177.99 1nr1 h VAL 108 N -0.82 1.02 0.00 0.32 -1.51 -1.31 0.21 116.25 114.17 1nr1 h VAL 108 Ca -0.08 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1nr1 h VAL 108 Cb 0.64 -0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 29.64 1nr1 h VAL 108 CO 0.11 0.20 -0.02 0.11 -1.23 0.00 0.00 177.57 176.74 1nr1 h LYS 109 N 1.08 0.00 0.00 5.19 1.57 -0.66 -1.46 116.57 122.29 1nr1 h LYS 109 Ca 0.45 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.05 1nr1 h LYS 109 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1nr1 h LYS 109 CO -0.21 0.02 -1.09 0.00 -0.57 0.00 0.00 179.45 177.60 1nr1 h ALA 110 N 1.98 0.21 -0.96 3.86 0.00 0.15 -3.23 119.26 121.28 1nr1 h ALA 110 Ca -0.00 -1.05 0.09 0.00 0.00 0.00 0.00 54.91 53.95 1nr1 h ALA 110 Cb 0.05 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1nr1 h ALA 110 CO 0.00 0.66 0.61 -0.07 0.00 0.00 0.00 179.25 180.46 1nr1 h LEU 111 N -1.00 0.92 0.00 0.00 3.38 -0.91 0.97 115.31 118.67 1nr1 h LEU 111 Ca -0.27 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1nr1 h LEU 111 Cb 1.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nr1 h LEU 111 CO -0.16 0.55 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1nr1 n ALA 112 N -2.38 -0.26 -0.26 1.53 0.00 -0.56 -0.49 120.51 118.10 1nr1 n ALA 112 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.62 1nr1 n ALA 112 Cb 0.27 0.20 0.06 0.00 0.00 0.00 0.00 19.45 19.99 1nr1 n ALA 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nr1 n SER 113 N -2.26 -0.36 0.13 0.00 2.88 -0.71 0.18 113.62 113.48 1nr1 n SER 113 Ca 0.00 1.21 -0.15 0.00 -1.33 0.00 0.00 58.87 58.60 1nr1 n SER 113 Cb 0.00 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 1nr1 n SER 113 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1nr1 h LEU 114 N 0.00 -1.36 -0.10 2.46 5.85 -0.17 -2.97 115.31 119.02 1nr1 h LEU 114 Ca 0.29 0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.16 1nr1 h LEU 114 Cb 0.46 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1nr1 h LEU 114 CO -0.70 -0.52 -0.06 0.23 -0.34 0.00 0.00 178.44 177.04 1nr1 n MET 115 N -5.48 -0.05 -0.35 1.25 2.81 0.48 -0.41 117.12 115.37 1nr1 n MET 115 Ca -0.08 0.98 0.01 0.00 -1.81 0.00 0.00 57.70 56.81 1nr1 n MET 115 Cb 0.40 -1.47 0.07 0.00 -0.71 0.00 0.00 33.22 31.50 1nr1 n MET 115 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nr1 n THR 116 N -3.18 -0.46 0.03 2.03 -2.24 -0.92 0.23 114.28 109.76 1nr1 n THR 116 Ca 0.00 2.17 -0.02 0.00 -2.27 0.00 0.00 64.05 63.94 1nr1 n THR 116 Cb 0.03 -2.91 0.26 0.00 -2.10 0.00 0.00 70.33 65.60 1nr1 n THR 116 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1nr1 h TYR 117 N 0.00 0.48 0.30 4.78 0.05 -0.69 -1.37 116.97 120.52 1nr1 h TYR 117 Ca 0.36 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 1nr1 h TYR 117 Cb 0.60 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1nr1 h TYR 117 CO -0.79 0.60 -0.14 -0.22 -1.05 0.00 0.00 178.16 176.56 1nr1 h LYS 118 N 0.40 -0.38 -0.13 4.88 3.64 0.26 -2.98 116.57 122.26 1nr1 h LYS 118 Ca 0.07 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1nr1 h LYS 118 Cb 0.54 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 1nr1 h LYS 118 CO 0.04 -0.14 -0.34 0.00 -2.27 0.00 0.00 179.45 176.74 1nr1 n ALA 120 N -2.85 0.81 -0.06 0.00 0.00 -0.53 -1.15 120.51 116.72 1nr1 n ALA 120 Ca -0.03 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 1nr1 n ALA 120 Cb 0.33 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1nr1 n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nr1 h VAL 121 N 0.00 1.27 -0.57 0.00 2.07 -0.90 -3.33 116.25 114.80 1nr1 h VAL 121 Ca 0.00 -2.30 -0.33 0.00 0.82 0.00 0.00 66.70 64.89 1nr1 h VAL 121 Cb 0.26 2.78 -0.17 0.00 -1.52 0.00 0.00 31.29 32.64 1nr1 h VAL 121 CO 0.00 0.52 0.42 1.33 0.02 0.00 0.00 177.57 179.86 1nr1 n VAL 122 N -4.37 2.49 -2.84 2.57 0.24 -0.30 -4.80 118.33 111.32 1nr1 n VAL 122 Ca -0.22 -1.37 -0.14 0.00 -2.04 0.00 0.00 64.34 60.57 1nr1 n VAL 122 Cb 0.66 -0.91 0.01 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.25 -2.41 -3.96 -1.34 8.00 -0.83 -4.94 116.55 110.82 1nr1 n ASP 123 Ca 0.35 -0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 1nr1 n ASP 123 Cb 0.97 -0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.91 1.53 -0.46 2.53 1.01 -0.87 -5.01 120.40 117.22 1nr1 s VAL 124 Ca 0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1nr1 s VAL 124 Cb -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1nr1 s VAL 124 CO 0.43 0.04 1.60 -0.81 0.00 0.00 0.00 175.10 176.36 1nr1 n PRO 125 N 4.70 1.11 -4.07 2.72 -0.04 -1.26 -4.24 135.00 133.91 1nr1 n PRO 125 Ca -0.13 -0.96 -0.13 0.00 -0.04 0.00 0.00 63.50 62.23 1nr1 n PRO 125 Cb 0.45 -2.19 -0.12 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.96 0.54 0.60 0.54 2.99 -1.26 -4.45 117.98 120.89 1nr1 s PHE 126 Ca 0.22 -0.36 -0.08 0.00 0.00 0.00 0.00 56.93 56.71 1nr1 s PHE 126 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 43.02 42.74 1nr1 s PHE 126 CO -0.02 -0.07 0.95 0.20 -0.00 0.00 0.00 175.22 176.29 1nr1 s GLY 127 N -1.06 1.60 0.16 4.36 0.00 -0.60 -4.77 107.32 107.00 1nr1 s GLY 127 Ca -0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 1nr1 s GLY 127 CO 0.00 -0.14 0.51 -0.32 0.00 0.00 0.00 173.10 173.15 1nr1 s GLY 128 N -4.24 2.37 0.27 0.20 0.00 -1.25 -0.76 107.32 103.91 1nr1 s GLY 128 Ca 0.54 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 1nr1 s GLY 128 CO 0.49 -0.03 0.57 0.00 0.00 0.00 0.00 173.10 174.13 1nr1 s ALA 129 N -1.57 -0.53 -0.11 3.20 0.00 -0.92 0.13 121.76 121.97 1nr1 s ALA 129 Ca 0.40 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 1nr1 s ALA 129 Cb -0.13 0.99 0.12 0.00 0.00 0.00 0.00 23.12 24.09 1nr1 s ALA 129 CO 0.20 -0.92 1.03 0.21 0.00 0.00 0.00 175.76 176.28 1nr1 s LYS 130 N -3.86 0.58 0.18 0.00 2.47 0.46 -3.97 119.74 115.60 1nr1 s LYS 130 Ca 0.19 -0.13 -0.01 0.00 -1.56 0.00 0.00 55.97 54.47 1nr1 s LYS 130 Cb -0.03 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.57 1nr1 s LYS 130 CO 0.09 -0.23 0.09 0.00 0.16 0.00 0.00 175.35 175.46 1nr1 s ALA 131 N -2.34 1.11 -0.18 3.13 0.00 -0.91 0.85 121.76 123.43 1nr1 s ALA 131 Ca 0.05 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 1nr1 s ALA 131 Cb -0.01 1.13 0.05 0.00 0.00 0.00 0.00 23.12 24.29 1nr1 s ALA 131 CO -0.05 -0.53 0.48 0.20 0.00 0.00 0.00 175.76 175.86 1nr1 s GLY 132 N -3.13 -0.36 -0.45 0.00 0.00 -0.12 -1.92 107.32 101.34 1nr1 s GLY 132 Ca 0.33 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.44 1nr1 s GLY 132 CO 0.08 1.17 0.20 0.14 0.00 0.00 0.00 173.10 174.69 1nr1 s VAL 133 N 0.24 2.13 0.00 1.40 1.01 0.95 -0.03 120.40 126.09 1nr1 s VAL 133 Ca -0.00 -2.79 0.00 0.00 0.00 0.00 0.00 61.98 59.19 1nr1 s VAL 133 Cb -0.03 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1nr1 s VAL 133 CO 0.01 -0.77 0.73 1.17 0.00 0.00 0.00 175.10 176.25 1nr1 n LYS 134 N 3.59 0.00 -3.82 2.72 4.81 -1.02 -3.75 118.16 120.70 1nr1 n LYS 134 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.40 1nr1 n LYS 134 Cb 0.36 -0.98 -0.07 0.00 0.02 0.00 0.00 35.03 34.36 1nr1 n LYS 134 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1nr1 s ILE 135 N 1.48 0.13 -0.48 3.15 1.01 -1.26 -4.67 121.20 120.56 1nr1 s ILE 135 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1nr1 s ILE 135 Cb 0.00 -1.30 0.13 0.00 0.01 0.00 0.00 42.46 41.30 1nr1 s ILE 135 CO 0.00 -0.59 0.23 0.21 0.00 0.00 0.00 174.94 174.79 1nr1 s ASN 136 N -2.83 4.65 0.01 3.58 3.84 -1.26 -1.52 114.94 121.41 1nr1 s ASN 136 Ca 0.04 -2.69 0.00 0.00 0.21 0.00 0.00 52.86 50.43 1nr1 s ASN 136 Cb 0.04 -1.68 0.00 0.00 -0.55 0.00 0.00 41.25 39.06 1nr1 s ASN 136 CO -0.11 -0.32 0.53 -2.65 -2.79 0.00 0.00 177.10 171.77 1nr1 n PRO 137 N 3.58 0.00 0.04 0.43 -0.02 -1.26 0.28 135.00 138.06 1nr1 n PRO 137 Ca 0.05 0.04 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1nr1 n PRO 137 Cb 0.36 -1.99 0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1nr1 n PRO 137 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nr1 n LYS 138 N -1.05 0.34 -0.89 -0.52 4.76 -1.26 -3.96 118.16 115.57 1nr1 n LYS 138 Ca -0.00 0.03 0.05 0.00 -2.87 0.00 0.00 58.31 55.52 1nr1 n LYS 138 Cb 0.49 -1.65 0.38 0.00 -1.84 0.00 0.00 35.03 32.41 1nr1 n LYS 138 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nr1 n ASN 139 N -2.10 5.49 -4.07 4.39 3.02 0.14 -4.94 115.26 117.19 1nr1 n ASN 139 Ca 0.02 -2.99 -0.15 0.00 -0.03 0.00 0.00 54.58 51.43 1nr1 n ASN 139 Cb 0.45 -0.69 -0.12 0.00 -0.61 0.00 0.00 39.78 38.82 1nr1 n ASN 139 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nr1 s TYR 140 N -2.82 0.76 0.88 3.10 2.02 -1.25 -5.08 117.35 114.97 1nr1 s TYR 140 Ca 0.54 -0.43 -0.13 0.00 -0.37 0.00 0.00 57.07 56.68 1nr1 s TYR 140 Cb 0.42 -0.45 0.13 0.00 -0.40 0.00 0.00 41.96 41.65 1nr1 s TYR 140 CO 0.15 -0.05 1.18 0.95 -1.57 0.00 0.00 175.55 176.21 1nr1 s THR 141 N -1.17 1.98 0.10 -0.71 -4.23 -1.26 -4.86 115.64 105.49 1nr1 s THR 141 Ca -0.06 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.21 1nr1 s THR 141 Cb -0.09 -2.88 -0.12 0.00 1.34 0.00 0.00 72.50 70.75 1nr1 s THR 141 CO 0.01 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.24 1nr1 h ASP 142 N -1.36 -0.18 -0.91 3.99 3.32 -1.99 -2.03 116.42 117.25 1nr1 h ASP 142 Ca -0.48 0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.74 1nr1 h ASP 142 Cb 1.32 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.85 1nr1 h ASP 142 CO 0.60 -0.10 0.52 -1.13 -1.72 0.00 0.00 179.24 177.41 1nr1 h ASN 143 N -0.13 0.69 1.08 6.45 -0.73 -2.00 0.90 115.58 121.84 1nr1 h ASN 143 Ca 0.02 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1nr1 h ASN 143 Cb 0.15 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1nr1 h ASN 143 CO -0.04 0.32 0.00 -0.33 -0.37 0.00 0.00 177.43 177.00 1nr1 h GLU 144 N 0.76 0.00 0.00 6.67 5.08 -1.80 -2.28 114.58 123.01 1nr1 h GLU 144 Ca 0.49 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.69 1nr1 h GLU 144 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1nr1 h GLU 144 CO -0.33 0.00 -1.18 -0.07 -1.00 0.00 0.00 179.01 176.43 1nr1 h LEU 145 N 0.00 0.00 -0.11 1.33 3.38 -0.16 -2.62 115.31 117.12 1nr1 h LEU 145 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1nr1 h LEU 145 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1nr1 h LEU 145 CO 0.00 0.59 -0.92 -0.08 0.09 0.00 0.00 178.44 178.12 1nr1 h GLU 146 N 0.00 0.65 -0.46 1.13 4.81 -0.88 -1.85 114.58 117.99 1nr1 h GLU 146 Ca -0.12 -0.63 -0.05 0.00 -0.13 0.00 0.00 59.36 58.43 1nr1 h GLU 146 Cb 1.56 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.08 1nr1 h GLU 146 CO 0.06 1.24 0.09 0.87 -0.73 0.00 0.00 179.01 180.53 1nr1 h LYS 147 N 0.40 0.74 -0.62 1.92 1.57 -1.50 -1.57 116.57 117.52 1nr1 h LYS 147 Ca -0.09 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1nr1 h LYS 147 Cb 1.56 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 1nr1 h LYS 147 CO 0.18 0.75 0.06 0.82 -0.57 0.00 0.00 179.45 180.69 1nr1 h ILE 148 N 0.61 1.26 0.00 1.86 2.04 -1.44 -2.29 117.51 119.56 1nr1 h ILE 148 Ca 0.14 -1.07 -0.12 0.00 1.00 0.00 0.00 64.86 64.81 1nr1 h ILE 148 Cb 0.36 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1nr1 h ILE 148 CO 0.01 0.39 -0.58 0.71 0.00 0.00 0.00 178.15 178.68 1nr1 h THR 149 N 0.97 1.35 0.02 -0.27 1.35 -1.14 -1.44 112.91 113.75 1nr1 h THR 149 Ca 0.19 -2.02 -0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1nr1 h THR 149 Cb 0.48 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1nr1 h THR 149 CO 0.02 0.57 -0.01 0.03 -0.25 0.00 0.00 175.52 175.87 1nr1 h ARG 150 N 0.00 -0.03 -0.71 4.72 3.08 -1.18 -2.16 114.38 118.10 1nr1 h ARG 150 Ca -0.01 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1nr1 h ARG 150 Cb 1.06 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.99 1nr1 h ARG 150 CO 0.08 0.26 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.04 1nr1 h ARG 151 N -1.00 0.04 -0.97 0.04 2.43 -1.48 1.83 114.38 115.27 1nr1 h ARG 151 Ca -0.00 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.31 1nr1 h ARG 151 Cb 0.30 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1nr1 h ARG 151 CO 0.00 0.03 0.58 0.35 -1.51 0.00 0.00 179.97 179.43 1nr1 h PHE 152 N 0.04 1.04 -0.25 2.20 3.57 -1.34 -0.65 116.94 121.56 1nr1 h PHE 152 Ca 0.36 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.78 1nr1 h PHE 152 Cb 0.59 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1nr1 h PHE 152 CO -0.50 0.33 -0.28 1.15 -2.23 0.00 0.00 178.31 176.78 1nr1 h THR 153 N 0.85 1.31 -0.15 4.41 2.02 0.33 -2.18 112.91 119.51 1nr1 h THR 153 Ca 0.51 -1.46 0.05 0.00 0.77 0.00 0.00 66.41 66.27 1nr1 h THR 153 Cb 0.64 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 1nr1 h THR 153 CO -0.32 0.46 -0.19 0.24 0.37 0.00 0.00 175.52 176.08 1nr1 h MET 154 N 0.34 -0.22 -0.50 6.66 2.86 0.99 0.59 114.93 125.64 1nr1 h MET 154 Ca 0.03 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1nr1 h MET 154 Cb 0.85 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1nr1 h MET 154 CO 0.07 -0.15 0.11 0.93 1.06 0.00 0.00 176.91 178.93 1nr1 h GLU 155 N -0.23 0.75 -0.18 1.72 4.39 -1.20 -0.65 114.58 119.18 1nr1 h GLU 155 Ca 0.10 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1nr1 h GLU 155 Cb 0.38 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1nr1 h GLU 155 CO -0.28 0.69 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.87 1nr1 h LEU 156 N 0.73 0.37 -0.13 1.33 4.07 -0.82 -2.85 115.31 118.01 1nr1 h LEU 156 Ca 0.16 -0.14 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 1nr1 h LEU 156 Cb 0.28 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1nr1 h LEU 156 CO -0.00 0.68 -0.43 0.00 -1.08 0.00 0.00 178.44 177.61 1nr1 h ALA 157 N 1.35 0.23 -0.42 1.53 0.00 -0.16 0.58 119.26 122.38 1nr1 h ALA 157 Ca 0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1nr1 h ALA 157 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nr1 h ALA 157 CO 0.05 0.36 0.10 0.87 0.00 0.00 0.00 179.25 180.63 1nr1 h LYS 158 N 0.14 0.62 -0.00 0.00 1.57 -1.09 -3.07 116.57 114.73 1nr1 h LYS 158 Ca -0.02 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1nr1 h LYS 158 Cb 1.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1nr1 h LYS 158 CO 0.09 0.56 -0.43 1.63 -0.57 0.00 0.00 179.45 180.74 1nr1 n LYS 159 N -4.32 0.03 -0.35 3.15 4.76 -1.08 -4.96 118.16 115.38 1nr1 n LYS 159 Ca 0.03 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1nr1 n LYS 159 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 1.49 1.08 0.00 0.72 0.00 -0.73 -5.02 105.19 102.74 1nr1 n GLY 160 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.48 0.00 -4.35 1.61 3.72 0.20 -4.86 117.46 113.29 1nr1 n PHE 161 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1nr1 n PHE 161 Cb 0.07 -0.01 -0.14 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.46 0.93 0.00 4.37 2.07 -1.19 -4.50 121.20 121.42 1nr1 s ILE 162 Ca 0.01 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1nr1 s ILE 162 Cb 0.03 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1nr1 s ILE 162 CO 0.18 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.87 1nr1 n GLY 163 N 2.22 2.34 0.32 1.50 0.00 0.24 -4.63 105.19 107.19 1nr1 n GLY 163 Ca -0.17 0.29 0.28 0.00 0.00 0.00 0.00 46.02 46.42 1nr1 n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nr1 n PRO 164 N 0.00 -0.03 -0.19 1.61 -0.04 -1.26 0.16 135.00 135.25 1nr1 n PRO 164 Ca 0.00 0.92 0.05 0.00 -0.04 0.00 0.00 63.50 64.44 1nr1 n PRO 164 Cb 0.00 -1.79 0.15 0.00 -0.04 0.00 0.00 33.50 31.83 1nr1 n PRO 164 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nr1 n GLY 165 N -1.34 2.97 1.13 0.55 0.00 -1.26 -4.73 105.19 102.51 1nr1 n GLY 165 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1nr1 n GLY 165 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nr1 n ILE 166 N 0.27 0.32 -3.64 -0.61 2.08 0.43 -4.10 119.36 114.11 1nr1 n ILE 166 Ca 0.12 0.10 -0.07 0.00 0.56 0.00 0.00 62.75 63.46 1nr1 n ILE 166 Cb 0.47 -1.41 -0.07 0.00 -0.75 0.00 0.00 39.64 37.88 1nr1 n ILE 166 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1nr1 s ASP 167 N -5.26 -0.81 -0.28 4.38 -1.08 0.14 -2.34 116.67 111.43 1nr1 s ASP 167 Ca 0.00 1.33 -0.01 0.00 -0.52 0.00 0.00 52.55 53.35 1nr1 s ASP 167 Cb 0.00 1.34 0.09 0.00 -1.46 0.00 0.00 42.92 42.88 1nr1 s ASP 167 CO 0.00 -0.21 0.07 -0.69 0.52 0.00 0.00 175.17 174.86 1nr1 s VAL 168 N 1.34 0.84 1.29 1.11 1.01 0.15 0.82 120.40 126.96 1nr1 s VAL 168 Ca -0.08 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 1nr1 s VAL 168 Cb -0.05 -1.53 0.32 0.00 0.00 0.00 0.00 36.38 35.12 1nr1 s VAL 168 CO -0.16 -0.54 1.02 -2.84 0.00 0.00 0.00 175.10 172.59 1nr1 s PRO 169 N 1.66 -1.94 0.20 2.72 0.02 -1.24 -2.82 135.00 133.59 1nr1 s PRO 169 Ca 0.06 0.11 -0.23 0.00 0.02 0.00 0.00 61.00 60.96 1nr1 s PRO 169 Cb -0.17 -1.50 0.06 0.00 0.02 0.00 0.00 34.50 32.91 1nr1 s PRO 169 CO -0.20 -4.22 0.93 0.00 -0.33 0.00 0.00 177.00 173.17 1nr1 s ALA 170 N -2.64 -1.51 0.98 -1.55 0.00 -0.12 -2.20 121.76 114.72 1nr1 s ALA 170 Ca 0.70 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 1nr1 s ALA 170 Cb -0.13 0.69 0.18 0.00 0.00 0.00 0.00 23.12 23.87 1nr1 s ALA 170 CO 0.58 -1.04 1.20 -2.14 0.00 0.00 0.00 175.76 174.35 1nr1 s PRO 171 N -3.09 0.56 -0.30 0.00 0.02 -1.26 -0.51 135.00 130.43 1nr1 s PRO 171 Ca 0.14 -0.03 -0.04 0.00 0.02 0.00 0.00 61.00 61.10 1nr1 s PRO 171 Cb -0.03 -1.80 0.19 0.00 0.02 0.00 0.00 34.50 32.88 1nr1 s PRO 171 CO 0.04 -2.53 0.77 0.34 -0.33 0.00 0.00 177.00 175.29 1nr1 s ASP 172 N -4.33 -1.09 0.00 2.53 -1.08 -1.10 -4.22 116.67 107.39 1nr1 s ASP 172 Ca 0.68 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 1nr1 s ASP 172 Cb -0.10 1.82 0.00 0.00 -1.46 0.00 0.00 42.92 43.19 1nr1 s ASP 172 CO 0.53 -0.20 0.00 0.23 0.52 0.00 0.00 175.17 176.25 1nr1 n MET 173 N 5.40 0.00 0.14 4.34 2.81 -1.26 -0.87 117.12 127.67 1nr1 n MET 173 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1nr1 n MET 173 Cb 0.53 0.00 0.53 0.00 -0.71 0.00 0.00 33.22 33.57 1nr1 n MET 173 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1nr1 n SER 174 N 0.00 0.64 -4.04 7.83 3.41 -1.26 -4.69 113.62 115.51 1nr1 n SER 174 Ca 0.00 0.70 -0.14 0.00 -0.26 0.00 0.00 58.87 59.17 1nr1 n SER 174 Cb 0.00 -0.82 -0.12 0.00 -0.26 0.00 0.00 64.21 63.01 1nr1 n SER 174 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nr1 s THR 175 N -3.40 0.53 0.00 6.66 -4.23 -0.05 -4.63 115.64 110.51 1nr1 s THR 175 Ca 0.02 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1nr1 s THR 175 Cb 0.08 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1nr1 s THR 175 CO 0.32 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1nr1 n GLY 176 N 1.83 6.13 0.19 3.99 0.00 -1.26 -2.70 105.19 113.37 1nr1 n GLY 176 Ca -0.20 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 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 0.41 -0.81 1.61 4.11 -1.97 -2.78 114.58 115.15 1nr1 h GLU 177 Ca 0.00 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.52 1nr1 h GLU 177 Cb 0.00 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.03 1nr1 h GLU 177 CO 0.00 0.27 -0.43 -0.09 0.07 0.00 0.00 179.01 178.83 1nr1 h ARG 178 N 0.43 -0.09 -0.76 1.06 2.43 -1.96 0.75 114.38 116.23 1nr1 h ARG 178 Ca 0.20 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1nr1 h ARG 178 Cb 0.12 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1nr1 h ARG 178 CO -0.15 -0.06 0.48 0.93 -1.51 0.00 0.00 179.97 179.66 1nr1 h GLU 179 N -0.10 0.91 -0.10 0.20 3.07 -1.91 -2.18 114.58 114.48 1nr1 h GLU 179 Ca 0.25 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1nr1 h GLU 179 Cb 0.55 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1nr1 h GLU 179 CO -0.85 0.60 0.06 0.52 -1.40 0.00 0.00 179.01 177.94 1nr1 h MET 180 N 0.94 0.14 -0.23 2.33 2.86 0.59 -0.25 114.93 121.30 1nr1 h MET 180 Ca 0.30 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.99 1nr1 h MET 180 Cb 0.02 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 1nr1 h MET 180 CO -0.11 0.16 -0.14 1.03 1.06 0.00 0.00 176.91 178.91 1nr1 h SER 181 N 0.08 -0.45 -0.56 1.22 0.87 -0.35 0.35 113.55 114.71 1nr1 h SER 181 Ca 0.03 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 1nr1 h SER 181 Cb 0.06 0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 1nr1 h SER 181 CO -0.01 -0.17 0.14 -0.50 -0.53 0.00 0.00 176.83 175.76 1nr1 h TRP 182 N -0.12 0.23 0.77 2.24 6.55 -1.12 0.49 115.95 124.99 1nr1 h TRP 182 Ca 0.13 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.97 1nr1 h TRP 182 Cb 0.31 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1nr1 h TRP 182 CO -0.31 0.01 -0.47 0.82 -1.05 0.00 0.00 178.44 177.44 1nr1 h ILE 183 N 0.28 0.00 -0.47 1.49 2.04 0.32 -0.26 117.51 120.92 1nr1 h ILE 183 Ca 0.29 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.22 1nr1 h ILE 183 Cb 0.39 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.38 1nr1 h ILE 183 CO -0.35 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.34 1nr1 h ALA 184 N -1.22 -0.48 0.02 1.87 0.00 0.39 -1.29 119.26 118.55 1nr1 h ALA 184 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nr1 h ALA 184 Cb 0.93 0.97 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1nr1 h ALA 184 CO 0.10 -0.90 -0.14 0.22 0.00 0.00 0.00 179.25 178.54 1nr1 h ASP 185 N -0.31 -0.43 -0.87 0.00 1.82 0.16 -1.44 116.42 115.35 1nr1 h ASP 185 Ca 0.14 0.05 0.16 0.00 -0.39 0.00 0.00 57.03 56.98 1nr1 h ASP 185 Cb 0.58 0.16 -0.16 0.00 0.68 0.00 0.00 39.33 40.59 1nr1 h ASP 185 CO -0.62 -0.14 -0.27 0.41 -1.61 0.00 0.00 179.24 177.01 1nr1 n THR 186 N -3.25 -0.40 0.21 2.25 -1.04 -0.13 -0.59 114.28 111.33 1nr1 n THR 186 Ca -0.02 2.01 -0.14 0.00 -2.04 0.00 0.00 64.05 63.86 1nr1 n THR 186 Cb 0.11 -2.73 -0.08 0.00 -1.82 0.00 0.00 70.33 65.81 1nr1 n THR 186 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1nr1 h TYR 187 N 0.00 -1.13 -0.12 -1.42 3.20 -0.84 -0.55 116.97 116.11 1nr1 h TYR 187 Ca 0.37 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.29 1nr1 h TYR 187 Cb 0.59 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1nr1 h TYR 187 CO -0.71 -0.52 0.23 0.00 -1.64 0.00 0.00 178.16 175.52 1nr1 h ALA 188 N -1.03 1.54 0.00 1.82 0.00 0.23 0.17 119.26 121.99 1nr1 h ALA 188 Ca -0.04 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1nr1 h ALA 188 Cb 0.68 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1nr1 h ALA 188 CO -0.08 -0.29 -1.62 0.43 0.00 0.00 0.00 179.25 177.69 1nr1 n SER 189 N -3.37 0.69 0.00 0.00 7.64 -0.25 -3.16 113.62 115.16 1nr1 n SER 189 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1nr1 n SER 189 Cb 0.33 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1nr1 n SER 189 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nr1 n THR 190 N -2.84 0.00 -0.31 0.44 -1.04 -0.25 -4.63 114.28 105.65 1nr1 n THR 190 Ca -0.13 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.03 1nr1 n THR 190 Cb 0.88 0.00 0.40 0.00 -1.82 0.00 0.00 70.33 69.79 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 0.70 -0.60 12.58 1.08 -1.76 -2.05 117.51 127.47 1nr1 h ILE 191 Ca 0.00 -0.22 -0.14 0.00 -0.39 0.00 0.00 64.86 64.12 1nr1 h ILE 191 Cb 0.00 0.02 -0.08 0.00 -3.07 0.00 0.00 36.82 33.69 1nr1 h ILE 191 CO 0.00 0.11 0.18 0.61 -0.69 0.00 0.00 178.15 178.36 1nr1 n GLY 192 N -1.41 3.18 0.31 5.37 0.00 0.50 -4.57 105.19 108.57 1nr1 n GLY 192 Ca 0.22 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.48 1nr1 n GLY 192 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nr1 h HIS 193 N 2.56 0.80 -0.00 1.61 6.17 -1.32 -1.93 115.15 123.03 1nr1 h HIS 193 Ca 0.17 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1nr1 h HIS 193 Cb 2.01 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 31.72 1nr1 h HIS 193 CO 1.06 0.21 -0.16 0.66 0.71 0.00 0.00 177.93 180.41 1nr1 n TYR 194 N -4.85 0.00 -2.76 5.26 0.53 -1.26 -4.86 117.16 109.23 1nr1 n TYR 194 Ca 0.17 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.62 1nr1 n TYR 194 Cb 0.42 -0.19 -0.03 0.00 -1.03 0.00 0.00 39.34 38.51 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 -2.53 6.60 0.16 7.72 3.68 -0.73 -4.91 116.67 126.66 1nr1 s ASP 195 Ca 0.26 0.37 0.13 0.00 2.13 0.00 0.00 52.55 55.44 1nr1 s ASP 195 Cb 0.20 -2.48 0.65 0.00 -1.45 0.00 0.00 42.92 39.84 1nr1 s ASP 195 CO 0.50 -1.04 1.40 0.00 0.13 0.00 0.00 175.17 176.17 1nr1 n ILE 196 N 6.37 1.36 -0.83 4.11 3.06 -1.26 -0.70 119.36 131.47 1nr1 n ILE 196 Ca 0.08 0.53 0.08 0.00 -2.50 0.00 0.00 62.75 60.93 1nr1 n ILE 196 Cb 0.48 -1.49 0.17 0.00 0.54 0.00 0.00 39.64 39.34 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 -1.89 2.90 -0.31 9.51 3.02 -1.26 -4.72 115.26 122.50 1nr1 n ASN 197 Ca 0.00 -2.83 0.11 0.00 -0.03 0.00 0.00 54.58 51.84 1nr1 n ASN 197 Cb 0.06 -0.40 0.28 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 0.82 1.45 0.00 5.41 0.00 -1.18 0.45 119.26 126.21 1nr1 h ALA 198 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nr1 h ALA 198 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nr1 h ALA 198 CO 0.08 -0.17 0.00 0.72 0.00 0.00 0.00 179.25 179.88 1nr1 n HIS 199 N -4.90 0.00 1.51 0.00 8.25 -1.26 -1.62 115.22 117.20 1nr1 n HIS 199 Ca 0.21 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.78 1nr1 n HIS 199 Cb 0.56 -0.39 0.49 0.00 1.12 0.00 0.00 29.99 31.76 1nr1 n HIS 199 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nr1 n ALA 200 N -1.39 2.56 0.51 -1.41 0.00 0.16 -4.12 120.51 116.82 1nr1 n ALA 200 Ca 0.03 -0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.15 1nr1 n ALA 200 Cb 0.08 -1.18 0.31 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.99 0.00 0.54 0.00 0.11 -1.26 -3.71 120.40 113.10 1nr1 s VAL 202 Ca 0.07 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1nr1 s VAL 202 Cb 0.10 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1nr1 s VAL 202 CO 0.27 0.00 0.43 0.42 -3.33 0.00 0.00 175.10 172.89 1nr1 s THR 203 N -1.32 1.73 -0.21 5.04 -4.23 -0.94 -4.73 115.64 110.99 1nr1 s THR 203 Ca -0.09 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1nr1 s THR 203 Cb -0.00 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1nr1 s THR 203 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1nr1 n GLY 204 N -1.79 0.53 3.88 3.99 0.00 -1.26 -4.54 105.19 105.99 1nr1 n GLY 204 Ca -0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.18 3.43 1.14 1.61 1.02 -1.26 -4.19 119.74 119.30 1nr1 s LYS 205 Ca 0.00 0.52 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 1nr1 s LYS 205 Cb 0.00 -2.16 0.21 0.00 -0.52 0.00 0.00 37.83 35.36 1nr1 s LYS 205 CO 0.00 -0.56 0.63 -2.30 -0.92 0.00 0.00 175.35 172.20 1nr1 n PRO 206 N -2.66 -2.02 -0.05 -1.68 -0.02 -1.26 -3.77 135.00 123.53 1nr1 n PRO 206 Ca 0.05 -0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 60.80 1nr1 n PRO 206 Cb 0.55 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1nr1 n PRO 206 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1nr1 h ILE 207 N -2.40 1.29 0.00 4.25 1.08 -1.89 0.72 117.51 120.55 1nr1 h ILE 207 Ca -0.58 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 1nr1 h ILE 207 Cb 1.34 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 1nr1 h ILE 207 CO 0.44 0.58 0.00 0.77 -0.69 0.00 0.00 178.15 179.26 1nr1 h SER 208 N 0.54 0.00 -0.30 1.72 4.64 -1.90 -1.18 113.55 117.07 1nr1 h SER 208 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1nr1 h SER 208 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 1nr1 h SER 208 CO 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.02 1nr1 n GLN 209 N -2.62 2.05 -1.93 4.77 1.13 -1.06 -4.93 117.38 114.78 1nr1 n GLN 209 Ca -0.01 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 51.97 1nr1 n GLN 209 Cb 0.09 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.64 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 -1.00 0.81 3.97 1.08 0.00 -0.46 -4.63 105.19 104.96 1nr1 n GLY 210 Ca 0.29 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.85 1.77 0.32 -0.02 0.00 0.25 -4.81 107.32 101.99 1nr1 s GLY 211 Ca 0.00 -1.36 0.08 0.00 0.00 0.00 0.00 44.72 43.43 1nr1 s GLY 211 CO 0.00 -0.92 0.23 -1.50 0.00 0.00 0.00 173.10 170.90 1nr1 s ILE 212 N -3.08 3.51 -0.01 0.90 2.07 -1.26 -4.71 121.20 118.62 1nr1 s ILE 212 Ca 0.62 -1.49 -0.04 0.00 -1.41 0.00 0.00 60.65 58.33 1nr1 s ILE 212 Cb -0.08 -3.14 -0.04 0.00 0.13 0.00 0.00 42.46 39.32 1nr1 s ILE 212 CO 0.43 -0.21 0.21 -1.00 -1.91 0.00 0.00 174.94 172.46 1nr1 s HIS 213 N -2.32 3.56 0.00 3.50 3.76 -1.26 -4.38 115.29 118.16 1nr1 s HIS 213 Ca 0.39 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1nr1 s HIS 213 Cb -0.05 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1nr1 s HIS 213 CO 0.25 0.64 0.00 0.41 -0.85 0.00 0.00 174.74 175.19 1nr1 n GLY 214 N 1.07 1.14 0.13 -2.22 0.00 -1.26 -4.21 105.19 99.84 1nr1 n GLY 214 Ca -0.12 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1nr1 n GLY 214 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nr1 n ARG 215 N -0.69 0.63 -0.29 1.61 0.63 -1.26 -3.86 116.66 113.43 1nr1 n ARG 215 Ca 0.00 0.36 0.02 0.00 -0.92 0.00 0.00 57.85 57.31 1nr1 n ARG 215 Cb 0.23 -1.64 0.16 0.00 0.45 0.00 0.00 32.46 31.66 1nr1 n ARG 215 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1nr1 h ILE 216 N -0.60 0.93 -0.41 5.15 2.04 -1.94 -0.23 117.51 122.45 1nr1 h ILE 216 Ca -0.50 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1nr1 h ILE 216 Cb 1.65 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1nr1 h ILE 216 CO -0.18 0.15 0.00 -1.54 0.00 0.00 0.00 178.15 176.57 1nr1 n SER 217 N -4.74 3.72 -0.04 1.72 3.41 -1.26 -4.47 113.62 111.95 1nr1 n SER 217 Ca 0.13 -2.44 -0.14 0.00 -0.26 0.00 0.00 58.87 56.16 1nr1 n SER 217 Cb 0.26 -0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 63.55 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 3.50 0.01 0.32 7.33 0.00 -1.14 -2.38 119.26 126.90 1nr1 h ALA 218 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nr1 h ALA 218 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1nr1 h ALA 218 CO 0.23 -0.04 -0.27 1.15 0.00 0.00 0.00 179.25 180.33 1nr1 h THR 219 N -0.73 0.44 0.36 0.00 2.02 -1.78 -1.61 112.91 111.60 1nr1 h THR 219 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1nr1 h THR 219 Cb 0.88 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1nr1 h THR 219 CO 0.02 0.00 -0.43 1.23 0.37 0.00 0.00 175.52 176.71 1nr1 h GLY 220 N -0.60 -1.18 1.07 2.16 0.00 -1.80 0.21 103.07 102.94 1nr1 h GLY 220 Ca -0.02 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1nr1 h GLY 220 CO -0.02 -0.35 0.42 -0.09 0.00 0.00 0.00 176.54 176.50 1nr1 h ARG 221 N -0.80 0.00 0.03 4.80 2.43 -1.42 0.38 114.38 119.80 1nr1 h ARG 221 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1nr1 h ARG 221 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1nr1 h ARG 221 CO -0.09 0.00 -0.01 0.78 -1.51 0.00 0.00 179.97 179.13 1nr1 h GLY 222 N 0.00 -0.04 -0.23 2.80 0.00 0.38 -2.82 103.07 103.16 1nr1 h GLY 222 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.42 1nr1 h GLY 222 CO 0.00 -0.01 -0.35 -2.08 0.00 0.00 0.00 176.54 174.09 1nr1 h VAL 223 N -0.97 0.19 0.00 4.60 2.07 0.12 -0.34 116.25 121.92 1nr1 h VAL 223 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1nr1 h VAL 223 Cb 0.60 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1nr1 h VAL 223 CO 0.01 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.93 1nr1 n PHE 224 N -5.42 0.00 -0.39 1.57 -0.00 -0.11 -0.79 117.46 112.32 1nr1 n PHE 224 Ca 0.01 0.00 0.38 0.00 -0.00 0.00 0.00 57.45 57.84 1nr1 n PHE 224 Cb 0.34 -0.16 0.75 0.00 -0.00 0.00 0.00 39.48 40.42 1nr1 n PHE 224 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1nr1 h HIS 225 N 0.00 0.04 0.53 -5.13 3.86 -1.19 0.32 115.15 113.58 1nr1 h HIS 225 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1nr1 h HIS 225 Cb 0.00 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.46 1nr1 h HIS 225 CO -0.27 -0.00 -0.25 0.78 0.86 0.00 0.00 177.93 179.04 1nr1 h GLY 226 N 0.02 -0.74 0.31 2.45 0.00 0.80 -0.32 103.07 105.59 1nr1 h GLY 226 Ca 0.63 0.28 0.05 0.00 0.00 0.00 0.00 47.33 48.29 1nr1 h GLY 226 CO -0.03 -0.27 -0.18 -2.22 0.00 0.00 0.00 176.54 173.84 1nr1 h ILE 227 N -0.85 0.52 -0.38 2.60 1.08 0.13 -2.86 117.51 117.74 1nr1 h ILE 227 Ca -0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.48 1nr1 h ILE 227 Cb 0.60 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 1nr1 h ILE 227 CO 0.12 0.00 -0.21 -0.08 -0.69 0.00 0.00 178.15 177.29 1nr1 h GLU 228 N -0.19 -0.14 0.00 2.37 4.81 -0.59 0.27 114.58 121.12 1nr1 h GLU 228 Ca 0.12 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1nr1 h GLU 228 Cb 0.37 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1nr1 h GLU 228 CO -0.32 -0.09 -0.04 -0.91 -0.73 0.00 0.00 179.01 176.92 1nr1 h ASN 229 N -0.14 0.00 0.18 1.04 2.35 -0.83 -1.64 115.58 116.54 1nr1 h ASN 229 Ca 0.19 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.58 1nr1 h ASN 229 Cb 0.43 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1nr1 h ASN 229 CO -0.47 0.04 -1.99 0.49 -1.65 0.00 0.00 177.43 173.85 1nr1 n PHE 230 N -3.88 1.09 0.05 1.19 3.01 -0.54 -3.87 117.46 114.52 1nr1 n PHE 230 Ca -0.03 0.26 0.02 0.00 1.01 0.00 0.00 57.45 58.71 1nr1 n PHE 230 Cb 0.13 -1.15 0.36 0.00 -0.01 0.00 0.00 39.48 38.81 1nr1 n PHE 230 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1nr1 h ILE 231 N 0.05 1.17 -0.32 4.37 -0.00 -0.28 -1.79 117.51 120.70 1nr1 h ILE 231 Ca -0.41 -0.65 0.00 0.00 -0.00 0.00 0.00 64.86 63.79 1nr1 h ILE 231 Cb 2.03 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 39.81 1nr1 h ILE 231 CO 0.07 0.22 0.00 0.59 -0.00 0.00 0.00 178.15 179.03 1nr1 n ASN 232 N -4.32 2.04 -4.44 2.19 5.03 -0.64 -4.75 115.26 110.37 1nr1 n ASN 232 Ca 0.01 -2.08 -0.43 0.00 0.87 0.00 0.00 54.58 52.95 1nr1 n ASN 232 Cb 0.22 -0.29 -0.10 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.60 2.96 0.00 3.52 2.56 -0.67 -4.99 118.70 120.48 1nr1 s GLU 233 Ca 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 54.97 54.11 1nr1 s GLU 233 Cb 0.13 -4.00 0.00 0.00 2.00 0.00 0.00 34.13 32.26 1nr1 s GLU 233 CO 0.14 -0.80 0.77 0.00 -0.56 0.00 0.00 175.26 174.81 1nr1 n ALA 234 N 5.16 -0.04 -0.01 6.30 0.00 -1.26 -1.97 120.51 128.70 1nr1 n ALA 234 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nr1 n ALA 234 Cb 0.46 0.33 -0.00 0.00 0.00 0.00 0.00 19.45 20.24 1nr1 n ALA 234 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 235 N -1.96 -0.02 0.24 0.00 7.64 -1.26 -0.23 113.62 118.03 1nr1 n SER 235 Ca 0.00 0.17 -0.16 0.00 1.01 0.00 0.00 58.87 59.89 1nr1 n SER 235 Cb 0.00 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.02 0.00 1.43 -1.99 -1.83 -2.30 116.97 111.26 1nr1 h TYR 236 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1nr1 h TYR 236 Cb 0.01 0.40 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1nr1 h TYR 236 CO -0.15 -0.53 0.00 -1.33 -0.00 0.00 0.00 178.16 176.15 1nr1 n MET 237 N -5.48 0.23 -0.03 4.88 2.81 0.68 -1.42 117.12 118.78 1nr1 n MET 237 Ca -0.10 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.72 1nr1 n MET 237 Cb 0.38 -1.08 -0.02 0.00 -0.71 0.00 0.00 33.22 31.79 1nr1 n MET 237 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nr1 n SER 238 N 0.14 1.48 0.00 7.83 7.64 -0.88 0.26 113.62 130.10 1nr1 n SER 238 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1nr1 n SER 238 Cb 0.04 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1nr1 n SER 238 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1nr1 n ILE 239 N -3.96 0.00 0.00 0.44 5.41 -0.51 0.42 119.36 121.16 1nr1 n ILE 239 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1nr1 n ILE 239 Cb 0.34 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 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 -0.66 0.00 -2.32 1.39 4.77 -1.17 -4.99 117.00 114.02 1nr1 n LEU 240 Ca 0.00 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.54 1nr1 n LEU 240 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1nr1 n LEU 240 CO 0.00 0.00 0.14 0.61 -1.33 0.00 0.00 177.39 176.81 1nr1 n GLY 241 N 0.66 0.07 0.00 -0.72 0.00 1.40 -5.02 105.19 101.59 1nr1 n GLY 241 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.12 2.23 -3.47 1.61 2.00 0.14 -4.69 117.12 111.83 1nr1 n MET 242 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.52 1nr1 n MET 242 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.84 1nr1 n MET 242 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nr1 n THR 243 N -0.34 -5.74 -2.53 2.03 5.66 -1.25 -4.59 114.28 107.52 1nr1 n THR 243 Ca 0.00 -0.49 -0.28 0.00 -3.05 0.00 0.00 64.05 60.23 1nr1 n THR 243 Cb 0.00 -4.83 -0.00 0.00 -1.55 0.00 0.00 70.33 63.95 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 -5.46 3.59 -0.03 1.09 0.05 -1.26 -4.94 135.00 128.03 1nr1 s PRO 244 Ca 0.02 0.34 -0.18 0.00 0.05 0.00 0.00 61.00 61.23 1nr1 s PRO 244 Cb -0.01 -2.32 -0.32 0.00 0.05 0.00 0.00 34.50 31.90 1nr1 s PRO 244 CO 0.74 -0.25 0.83 0.78 0.05 0.00 0.00 177.00 179.16 1nr1 h GLY 245 N 0.28 0.43 0.28 0.56 0.00 -1.93 -0.86 103.07 101.83 1nr1 h GLY 245 Ca -0.46 -1.11 -0.37 0.00 0.00 0.00 0.00 47.33 45.38 1nr1 h GLY 245 CO 0.62 0.97 -2.26 0.33 0.00 0.00 0.00 176.54 176.20 1nr1 n PHE 246 N -3.90 0.53 -0.09 5.60 7.35 -1.26 -4.37 117.46 121.32 1nr1 n PHE 246 Ca -0.18 0.12 -0.12 0.00 -0.76 0.00 0.00 57.45 56.50 1nr1 n PHE 246 Cb 0.96 -1.07 -0.00 0.00 0.35 0.00 0.00 39.48 39.71 1nr1 n PHE 246 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1nr1 h GLY 247 N 1.85 0.94 0.00 7.13 0.00 -2.00 -3.45 103.07 107.54 1nr1 h GLY 247 Ca -0.51 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 45.84 1nr1 h GLY 247 CO -0.01 0.89 0.00 1.34 0.00 0.00 0.00 176.54 178.76 1nr1 n ASP 248 N -4.04 0.00 -3.48 0.19 4.64 -0.33 -3.93 116.55 109.60 1nr1 n ASP 248 Ca -0.03 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.24 1nr1 n ASP 248 Cb 0.56 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.53 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 0.23 -0.04 -0.67 1.02 -1.26 -4.44 119.74 114.58 1nr1 s LYS 249 Ca 0.00 0.41 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 1nr1 s LYS 249 Cb 0.00 -0.76 0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1nr1 s LYS 249 CO 0.00 -0.58 0.08 0.95 -0.92 0.00 0.00 175.35 174.88 1nr1 s THR 250 N 2.41 -0.09 0.13 2.17 -4.23 -1.25 -0.97 115.64 113.82 1nr1 s THR 250 Ca 0.07 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1nr1 s THR 250 Cb -0.15 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1nr1 s THR 250 CO -0.13 0.11 -0.02 0.72 -0.54 0.00 0.00 174.62 174.76 1nr1 s PHE 251 N 1.41 1.03 -0.07 3.99 -0.71 0.11 -1.16 117.98 122.58 1nr1 s PHE 251 Ca -0.05 -0.99 0.02 0.00 -1.04 0.00 0.00 56.93 54.87 1nr1 s PHE 251 Cb -0.12 -0.59 0.01 0.00 -1.21 0.00 0.00 43.02 41.11 1nr1 s PHE 251 CO -0.04 -0.21 -0.11 0.08 -1.34 0.00 0.00 175.22 173.60 1nr1 s VAL 252 N -3.68 1.08 -0.16 -2.49 1.01 -0.23 -1.12 120.40 114.83 1nr1 s VAL 252 Ca 0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1nr1 s VAL 252 Cb 0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1nr1 s VAL 252 CO -0.00 0.35 -0.08 0.54 0.00 0.00 0.00 175.10 175.90 1nr1 s VAL 253 N 0.73 3.39 -0.51 2.92 0.11 -0.94 -0.47 120.40 125.64 1nr1 s VAL 253 Ca -0.13 -0.53 -0.16 0.00 -2.93 0.00 0.00 61.98 58.23 1nr1 s VAL 253 Cb -0.16 -2.47 0.09 0.00 -1.53 0.00 0.00 36.38 32.32 1nr1 s VAL 253 CO 0.03 0.49 0.47 -1.58 -3.33 0.00 0.00 175.10 171.18 1nr1 s GLN 254 N 0.59 3.00 0.00 1.54 0.74 -0.36 -2.06 119.66 123.10 1nr1 s GLN 254 Ca -0.05 -1.44 0.00 0.00 0.05 0.00 0.00 55.36 53.91 1nr1 s GLN 254 Cb -0.15 -4.20 0.00 0.00 1.10 0.00 0.00 33.01 29.76 1nr1 s GLN 254 CO 0.03 -1.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 1nr1 n GLY 255 N 5.22 2.72 2.52 2.59 0.00 -1.26 0.13 105.19 117.11 1nr1 n GLY 255 Ca -0.12 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 0.91 3.11 -1.92 1.61 -0.00 -1.26 -4.05 117.46 115.85 1nr1 n PHE 256 Ca 0.00 -2.67 -0.01 0.00 -0.00 0.00 0.00 57.45 54.77 1nr1 n PHE 256 Cb 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 39.48 38.61 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 -0.65 0.24 0.34 7.13 0.00 -1.26 -4.54 105.19 106.45 1nr1 n GLY 257 Ca 0.51 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.03 -1.12 0.12 1.61 -1.24 -1.96 -0.21 115.58 112.76 1nr1 h ASN 258 Ca -0.01 0.23 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 1nr1 h ASN 258 Cb 0.04 0.57 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1nr1 h ASN 258 CO 0.01 -0.29 -0.39 1.62 -1.29 0.00 0.00 177.43 177.09 1nr1 h VAL 259 N -0.13 1.30 0.11 2.57 3.04 -1.93 -2.92 116.25 118.29 1nr1 h VAL 259 Ca 0.26 -1.51 -0.01 0.00 -1.01 0.00 0.00 66.70 64.43 1nr1 h VAL 259 Cb 0.55 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1nr1 h VAL 259 CO -0.71 0.46 -0.05 1.23 -1.01 0.00 0.00 177.57 177.49 1nr1 h GLY 260 N 1.15 -0.15 -0.04 3.17 0.00 -1.52 -2.75 103.07 102.93 1nr1 h GLY 260 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1nr1 h GLY 260 CO 0.07 -0.05 -0.03 -2.00 0.00 0.00 0.00 176.54 174.52 1nr1 h LEU 261 N -0.88 -0.12 -0.94 3.11 5.85 -1.11 0.46 115.31 121.68 1nr1 h LEU 261 Ca -0.01 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.90 1nr1 h LEU 261 Cb 0.55 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 1nr1 h LEU 261 CO 0.02 -0.02 0.53 0.45 -0.34 0.00 0.00 178.44 179.09 1nr1 h HIS 262 N -0.01 0.92 -0.32 1.25 3.86 -1.68 0.15 115.15 119.33 1nr1 h HIS 262 Ca 0.01 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1nr1 h HIS 262 Cb 0.03 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.16 1nr1 h HIS 262 CO -0.82 0.20 -0.13 1.03 0.86 0.00 0.00 177.93 179.07 1nr1 h SER 263 N 0.69 -0.46 -0.45 2.45 0.87 -0.81 -0.47 113.55 115.37 1nr1 h SER 263 Ca 0.53 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 61.22 1nr1 h SER 263 Cb 0.81 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 1nr1 h SER 263 CO -0.39 -0.17 0.27 -0.03 -0.53 0.00 0.00 176.83 175.99 1nr1 h MET 264 N -0.08 0.54 -0.78 2.24 1.85 0.13 -1.38 114.93 117.44 1nr1 h MET 264 Ca 0.16 -0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.31 1nr1 h MET 264 Cb 0.32 -0.12 -0.07 0.00 0.43 0.00 0.00 31.60 32.16 1nr1 h MET 264 CO -0.37 0.36 0.43 0.00 -0.40 0.00 0.00 176.91 176.93 1nr1 h ARG 265 N 0.55 0.71 0.22 0.39 3.08 0.25 0.08 114.38 119.66 1nr1 h ARG 265 Ca 0.17 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 59.85 1nr1 h ARG 265 Cb -0.01 -0.16 0.04 0.00 0.08 0.00 0.00 29.97 29.91 1nr1 h ARG 265 CO -0.07 0.47 -1.42 1.88 -1.07 0.00 0.00 179.97 179.76 1nr1 h TYR 266 N 0.73 0.97 -0.84 3.04 0.05 -0.99 -2.73 116.97 117.20 1nr1 h TYR 266 Ca 0.38 -0.69 0.07 0.00 0.05 0.00 0.00 58.73 58.55 1nr1 h TYR 266 Cb 0.36 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.99 1nr1 h TYR 266 CO -0.08 1.53 0.51 -0.07 -1.05 0.00 0.00 178.16 179.00 1nr1 h LEU 267 N 0.17 0.77 0.00 3.88 -0.00 -1.00 -3.03 115.31 116.10 1nr1 h LEU 267 Ca -0.24 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1nr1 h LEU 267 Cb 2.11 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.64 1nr1 h LEU 267 CO 0.27 0.48 0.00 1.57 -0.00 0.00 0.00 178.44 180.75 1nr1 n HIS 268 N -4.67 0.00 -0.07 1.13 -0.00 -0.01 -2.78 115.22 108.83 1nr1 n HIS 268 Ca 0.13 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.46 1nr1 n HIS 268 Cb 0.21 -0.31 0.23 0.00 -0.12 0.00 0.00 29.99 30.00 1nr1 n HIS 268 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1nr1 n ARG 269 N -1.44 0.01 -0.02 1.57 0.63 -1.03 0.20 116.66 116.58 1nr1 n ARG 269 Ca 0.00 0.68 0.12 0.00 -0.92 0.00 0.00 57.85 57.74 1nr1 n ARG 269 Cb 0.00 -1.73 0.15 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 -2.46 0.05 0.00 -0.14 3.72 -1.15 -4.97 117.46 112.51 1nr1 n PHE 270 Ca 0.13 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1nr1 n PHE 270 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 1nr1 n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nr1 n GLY 271 N 1.35 0.98 3.59 1.37 0.00 0.53 -5.11 105.19 107.89 1nr1 n GLY 271 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.93 3.07 -0.14 4.61 0.00 -1.12 -4.62 121.76 121.64 1nr1 s ALA 272 Ca 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 51.96 49.78 1nr1 s ALA 272 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1nr1 s ALA 272 CO 0.00 -0.02 -0.21 0.21 0.00 0.00 0.00 175.76 175.74 1nr1 s LYS 273 N -3.66 2.90 -0.56 0.00 2.20 -0.14 -4.64 119.74 115.82 1nr1 s LYS 273 Ca 0.34 -0.81 -0.21 0.00 -0.36 0.00 0.00 55.97 54.94 1nr1 s LYS 273 Cb 0.06 -2.39 0.07 0.00 -1.51 0.00 0.00 37.83 34.06 1nr1 s LYS 273 CO 0.17 -0.07 0.77 0.00 -0.36 0.00 0.00 175.35 175.87 1nr1 h ILE 275 N 5.93 0.00 -2.22 0.00 2.10 -1.35 -1.05 117.51 120.91 1nr1 h ILE 275 Ca -0.28 -0.33 -0.60 0.00 1.08 0.00 0.00 64.86 64.73 1nr1 h ILE 275 Cb 1.08 0.00 -0.14 0.00 -1.09 0.00 0.00 36.82 36.67 1nr1 h ILE 275 CO 1.06 0.00 -0.74 0.00 -1.08 0.00 0.00 178.15 177.39 1nr1 s ALA 276 N -3.85 2.73 -0.09 0.18 0.00 -1.24 -2.79 121.76 116.70 1nr1 s ALA 276 Ca -0.07 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 49.95 1nr1 s ALA 276 Cb 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1nr1 s ALA 276 CO 0.20 0.23 0.20 0.08 0.00 0.00 0.00 175.76 176.47 1nr1 s VAL 277 N -2.56 -0.11 0.00 0.00 1.01 -1.21 -2.22 120.40 115.30 1nr1 s VAL 277 Ca 0.30 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1nr1 s VAL 277 Cb -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1nr1 s VAL 277 CO 0.15 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1nr1 n GLY 278 N 4.47 2.04 0.00 4.51 0.00 -0.88 -0.80 105.19 114.54 1nr1 n GLY 278 Ca -0.21 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1nr1 n GLY 278 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nr1 n GLU 279 N 0.00 -2.76 0.00 1.61 -0.58 -1.22 -4.40 120.64 113.28 1nr1 n GLU 279 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1nr1 n GLU 279 Cb 0.00 0.00 0.72 0.00 -0.57 0.00 0.00 31.44 31.59 1nr1 n GLU 279 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1nr1 n SER 280 N 1.52 0.13 0.00 1.62 3.41 -1.26 -4.60 113.62 114.45 1nr1 n SER 280 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1nr1 n SER 280 Cb 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1nr1 n SER 280 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nr1 n ASP 281 N -1.19 0.00 0.00 4.04 8.00 -1.26 -5.13 116.55 121.01 1nr1 n ASP 281 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1nr1 n ASP 281 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 4.78 1.04 3.59 0.44 0.00 -1.26 -5.16 105.19 108.63 1nr1 n GLY 282 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 1nr1 n GLY 282 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nr1 n SER 283 N 0.00 -1.95 -4.08 1.61 7.64 -1.26 -3.45 113.62 112.12 1nr1 n SER 283 Ca 0.00 -2.69 -0.09 0.00 1.01 0.00 0.00 58.87 57.11 1nr1 n SER 283 Cb 0.00 3.35 -0.10 0.00 -1.01 0.00 0.00 64.21 66.45 1nr1 n SER 283 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1nr1 s ILE 284 N -2.36 0.34 -0.05 0.44 -1.09 0.02 -3.99 121.20 114.52 1nr1 s ILE 284 Ca 0.20 -1.58 -0.27 0.00 -2.23 0.00 0.00 60.65 56.76 1nr1 s ILE 284 Cb -0.04 -1.21 0.06 0.00 -1.58 0.00 0.00 42.46 39.69 1nr1 s ILE 284 CO 0.15 -0.81 0.60 0.86 -1.23 0.00 0.00 174.94 174.51 1nr1 s TRP 285 N -3.11 -0.56 0.00 3.97 -0.11 -0.94 -3.34 118.94 114.85 1nr1 s TRP 285 Ca 0.02 0.96 0.00 0.00 1.22 0.00 0.00 56.10 58.30 1nr1 s TRP 285 Cb 0.02 0.34 0.00 0.00 -1.50 0.00 0.00 33.47 32.33 1nr1 s TRP 285 CO -0.06 -0.56 0.00 -1.71 -4.62 0.00 0.00 176.95 170.00 1nr1 n ASN 286 N 1.03 0.00 0.00 5.86 2.85 -1.12 -0.71 115.26 123.17 1nr1 n ASN 286 Ca -0.19 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.30 1nr1 n ASN 286 Cb 0.57 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.73 1nr1 n ASN 286 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nr1 n PRO 287 N 0.00 0.10 0.00 1.20 -0.02 -1.26 -1.02 135.00 134.00 1nr1 n PRO 287 Ca 0.00 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1nr1 n PRO 287 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1nr1 n PRO 287 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nr1 n ASP 288 N -1.22 1.86 0.00 2.55 10.43 -1.26 -5.00 116.55 123.91 1nr1 n ASP 288 Ca 0.03 -1.41 0.00 0.00 2.57 0.00 0.00 54.79 55.98 1nr1 n ASP 288 Cb 0.04 0.42 0.00 0.00 1.84 0.00 0.00 41.12 43.42 1nr1 n ASP 288 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nr1 n GLY 289 N 1.41 2.26 3.43 0.44 0.00 -0.18 -5.00 105.19 107.55 1nr1 n GLY 289 Ca 0.10 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.70 3.18 -0.09 -0.61 1.01 -0.40 -4.94 121.20 117.65 1nr1 s ILE 290 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 1nr1 s ILE 290 Cb 0.00 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1nr1 s ILE 290 CO 0.00 0.55 0.80 -0.62 0.00 0.00 0.00 174.94 175.67 1nr1 s ASP 291 N -0.07 7.05 0.15 3.58 2.15 -1.26 -4.55 116.67 123.72 1nr1 s ASP 291 Ca -0.02 1.27 -0.15 0.00 0.43 0.00 0.00 52.55 54.09 1nr1 s ASP 291 Cb -0.14 -2.46 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1nr1 s ASP 291 CO 0.04 -0.24 1.73 -0.65 -0.17 0.00 0.00 175.17 175.88 1nr1 h PRO 292 N 6.96 0.69 -0.44 4.34 0.11 -1.97 -0.88 132.00 140.82 1nr1 h PRO 292 Ca -0.37 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1nr1 h PRO 292 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1nr1 h PRO 292 CO 0.78 0.58 0.09 -0.22 -0.21 0.00 0.00 178.00 179.02 1nr1 h LYS 293 N 0.63 0.71 0.39 1.05 1.63 -1.98 0.11 116.57 119.11 1nr1 h LYS 293 Ca 0.16 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1nr1 h LYS 293 Cb 0.12 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1nr1 h LYS 293 CO -0.02 0.73 -0.19 0.93 -3.45 0.00 0.00 179.45 177.45 1nr1 h GLU 294 N 0.58 -0.50 -0.54 1.90 5.08 -1.95 -1.01 114.58 118.13 1nr1 h GLU 294 Ca 0.14 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nr1 h GLU 294 Cb 0.35 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1nr1 h GLU 294 CO 0.01 -0.27 0.35 1.25 -1.00 0.00 0.00 179.01 179.35 1nr1 h LEU 295 N -0.63 0.63 -0.03 1.33 5.85 -1.16 -0.16 115.31 121.13 1nr1 h LEU 295 Ca -0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1nr1 h LEU 295 Cb 0.46 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1nr1 h LEU 295 CO 0.09 0.46 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.50 1nr1 h GLU 296 N 0.73 -0.07 -1.04 1.25 4.81 -0.65 0.31 114.58 119.93 1nr1 h GLU 296 Ca 0.20 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.71 1nr1 h GLU 296 Cb -0.07 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.25 1nr1 h GLU 296 CO -0.04 -0.04 0.69 -0.44 -0.73 0.00 0.00 179.01 178.45 1nr1 h ASP 297 N -0.07 0.31 0.72 1.04 3.32 -1.01 0.23 116.42 120.96 1nr1 h ASP 297 Ca 0.01 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1nr1 h ASP 297 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1nr1 h ASP 297 CO -0.06 0.07 -0.67 0.15 -1.72 0.00 0.00 179.24 177.01 1nr1 h PHE 298 N 0.28 0.00 0.00 4.55 3.57 0.65 0.30 116.94 126.29 1nr1 h PHE 298 Ca 0.56 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.04 1nr1 h PHE 298 Cb 1.63 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.37 1nr1 h PHE 298 CO -0.00 0.67 -0.43 -0.22 -2.23 0.00 0.00 178.31 176.10 1nr1 h LYS 299 N 0.00 0.00 0.00 1.11 1.63 0.28 -3.33 116.57 116.26 1nr1 h LYS 299 Ca -0.01 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.57 1nr1 h LYS 299 Cb 1.21 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.81 1nr1 h LYS 299 CO 0.09 0.06 -1.29 -0.11 -3.45 0.00 0.00 179.45 174.74 1nr1 n LEU 300 N -2.97 1.86 0.00 5.20 -0.00 -0.33 -4.30 117.00 116.47 1nr1 n LEU 300 Ca 0.02 0.44 0.02 0.00 -0.00 0.00 0.00 56.01 56.50 1nr1 n LEU 300 Cb 0.57 -0.93 0.14 0.00 -0.00 0.00 0.00 43.42 43.20 1nr1 n LEU 300 CO 0.37 0.18 0.35 1.67 -0.00 0.00 0.00 177.39 179.96 1nr1 n GLN 301 N -4.44 0.19 0.00 1.96 7.27 0.11 -4.62 117.38 117.85 1nr1 n GLN 301 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.76 1nr1 n GLN 301 Cb 0.64 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.90 1nr1 n GLN 301 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1nr1 n HIS 302 N -0.89 0.00 0.00 3.69 1.44 -1.25 -5.05 115.22 113.17 1nr1 n HIS 302 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1nr1 n HIS 302 Cb 0.02 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1nr1 n HIS 302 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nr1 n GLY 303 N 0.00 1.35 3.63 -1.39 0.00 -1.26 -4.59 105.19 102.93 1nr1 n GLY 303 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 1nr1 n GLY 303 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nr1 s SER 304 N -3.22 3.45 0.00 1.61 0.15 -1.26 -4.69 113.70 109.73 1nr1 s SER 304 Ca 0.00 -1.69 0.17 0.00 0.70 0.00 0.00 55.95 55.14 1nr1 s SER 304 Cb 0.00 0.56 0.98 0.00 -1.71 0.00 0.00 66.02 65.85 1nr1 s SER 304 CO 0.00 -0.92 1.46 2.30 1.20 0.00 0.00 173.24 177.28 1nr1 n ILE 305 N -1.09 0.17 -1.70 6.45 -5.35 -1.26 -4.65 119.36 111.92 1nr1 n ILE 305 Ca -0.12 0.04 -0.43 0.00 -0.27 0.00 0.00 62.75 61.96 1nr1 n ILE 305 Cb 0.66 -0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 37.76 1nr1 n ILE 305 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nr1 n LEU 306 N -1.09 3.72 -0.29 7.28 4.32 -1.26 -2.27 117.00 127.41 1nr1 n LEU 306 Ca 0.11 1.06 -0.03 0.00 -0.02 0.00 0.00 56.01 57.13 1nr1 n LEU 306 Cb 0.08 -1.52 -0.01 0.00 -1.62 0.00 0.00 43.42 40.35 1nr1 n LEU 306 CO 0.11 0.04 -0.03 0.61 -1.22 0.00 0.00 177.39 176.89 1nr1 n GLY 307 N 3.84 0.43 3.69 -0.72 0.00 -1.26 -4.98 105.19 106.19 1nr1 n GLY 307 Ca 0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1nr1 n GLY 307 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nr1 s PHE 308 N -2.13 2.17 -0.69 1.61 5.36 -0.96 -4.90 117.98 118.44 1nr1 s PHE 308 Ca 0.00 0.02 -0.27 0.00 -0.96 0.00 0.00 56.93 55.73 1nr1 s PHE 308 Cb 0.00 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.54 1nr1 s PHE 308 CO 0.00 -4.73 1.60 -2.14 -1.46 0.00 0.00 175.22 168.49 1nr1 s PRO 309 N 2.76 2.90 0.00 10.12 0.02 -1.26 -2.07 135.00 147.47 1nr1 s PRO 309 Ca 0.80 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1nr1 s PRO 309 Cb -0.45 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 29.72 1nr1 s PRO 309 CO 0.36 -2.49 0.00 1.63 -0.33 0.00 0.00 177.00 176.17 1nr1 n LYS 310 N 9.25 0.00 -3.71 5.54 5.02 -1.26 -5.13 118.16 127.88 1nr1 n LYS 310 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1nr1 n LYS 310 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.42 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 -1.32 -1.11 -0.25 7.82 0.00 -0.88 -4.85 121.76 121.17 1nr1 s ALA 311 Ca 0.00 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.26 1nr1 s ALA 311 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1nr1 s ALA 311 CO 0.00 -0.23 0.11 0.21 0.00 0.00 0.00 175.76 175.84 1nr1 s LYS 312 N 0.66 3.78 -0.83 0.00 2.47 0.12 -4.66 119.74 121.28 1nr1 s LYS 312 Ca -0.03 -0.41 -0.15 0.00 -1.56 0.00 0.00 55.97 53.82 1nr1 s LYS 312 Cb -0.05 -3.42 -0.23 0.00 -1.46 0.00 0.00 37.83 32.67 1nr1 s LYS 312 CO -0.04 -0.14 2.10 -2.30 0.16 0.00 0.00 175.35 175.13 1nr1 n PRO 313 N 4.82 0.18 -1.54 4.03 -0.02 -1.26 -2.21 135.00 138.99 1nr1 n PRO 313 Ca -0.16 -0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 60.59 1nr1 n PRO 313 Cb 0.52 -2.06 0.08 0.00 -0.02 0.00 0.00 33.50 32.01 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 5.94 2.22 -0.18 6.00 5.04 -1.26 -4.94 117.35 130.17 1nr1 s TYR 314 Ca 1.01 1.59 -0.08 0.00 -2.44 0.00 0.00 57.07 57.14 1nr1 s TYR 314 Cb -0.47 -3.39 0.07 0.00 0.35 0.00 0.00 41.96 38.53 1nr1 s TYR 314 CO 0.32 -2.33 0.41 -2.00 -1.34 0.00 0.00 175.55 170.61 1nr1 s GLU 315 N -3.94 0.36 0.00 4.97 2.56 -1.26 -4.05 118.70 117.34 1nr1 s GLU 315 Ca 0.72 0.90 0.00 0.00 0.00 0.00 0.00 54.97 56.59 1nr1 s GLU 315 Cb -0.27 0.13 0.00 0.00 2.00 0.00 0.00 34.13 35.99 1nr1 s GLU 315 CO 0.44 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.35 1nr1 n GLY 316 N 4.77 0.08 3.10 -1.50 0.00 -1.26 -5.01 105.19 105.37 1nr1 n GLY 316 Ca -0.17 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 1nr1 n GLY 316 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nr1 n SER 317 N 0.00 -6.79 0.00 1.61 3.41 -1.26 -4.55 113.62 106.04 1nr1 n SER 317 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1nr1 n SER 317 Cb 0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 64.21 62.03 1nr1 n SER 317 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1nr1 n ILE 318 N 1.68 0.60 0.14 -1.33 -6.64 -1.26 -0.19 119.36 112.35 1nr1 n ILE 318 Ca -0.02 0.33 -0.01 0.00 -1.77 0.00 0.00 62.75 61.29 1nr1 n ILE 318 Cb 0.31 -1.33 0.19 0.00 -1.44 0.00 0.00 39.64 37.37 1nr1 n ILE 318 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 1nr1 h LEU 319 N 0.00 0.04 0.22 7.28 4.07 -1.99 -3.19 115.31 121.74 1nr1 h LEU 319 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1nr1 h LEU 319 Cb 0.37 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1nr1 h LEU 319 CO 0.00 0.61 -0.10 -0.33 -1.08 0.00 0.00 178.44 177.54 1nr1 h GLU 320 N 0.02 -0.28 0.00 1.13 3.07 -0.82 -3.38 114.58 114.33 1nr1 h GLU 320 Ca -0.01 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1nr1 h GLU 320 Cb 1.03 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1nr1 h GLU 320 CO 0.08 0.10 0.00 0.00 -1.40 0.00 0.00 179.01 177.79 1nr1 n ALA 321 N -2.57 -0.22 -2.62 3.43 0.00 -1.21 -2.26 120.51 115.06 1nr1 n ALA 321 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1nr1 n ALA 321 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1nr1 n ALA 321 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nr1 s ASP 322 N 0.00 6.76 -0.12 0.00 2.15 -1.26 -4.02 116.67 120.19 1nr1 s ASP 322 Ca 0.00 0.82 -0.33 0.00 0.43 0.00 0.00 52.55 53.47 1nr1 s ASP 322 Cb 0.00 -2.45 0.13 0.00 -0.30 0.00 0.00 42.92 40.29 1nr1 s ASP 322 CO 0.00 -0.69 1.18 0.00 -0.17 0.00 0.00 175.17 175.49 1nr1 h ASP 324 N 2.00 -0.18 -3.75 0.00 3.45 -1.46 -3.04 116.42 113.45 1nr1 h ASP 324 Ca -0.16 -0.36 -0.68 0.00 0.43 0.00 0.00 57.03 56.26 1nr1 h ASP 324 Cb 1.18 0.05 -0.31 0.00 -0.56 0.00 0.00 39.33 39.70 1nr1 h ASP 324 CO 0.25 0.32 -0.86 0.27 -1.57 0.00 0.00 179.24 177.66 1nr1 s ILE 325 N -3.89 2.27 -0.24 0.35 -0.00 -0.97 -0.29 121.20 118.44 1nr1 s ILE 325 Ca -0.14 -0.97 -0.01 0.00 -0.00 0.00 0.00 60.65 59.52 1nr1 s ILE 325 Cb 0.01 -1.86 0.02 0.00 -0.00 0.00 0.00 42.46 40.63 1nr1 s ILE 325 CO 0.54 0.56 -0.08 -0.22 -0.00 0.00 0.00 174.94 175.75 1nr1 s LEU 326 N -0.01 3.04 -0.55 0.37 1.98 0.17 -1.07 118.68 122.61 1nr1 s LEU 326 Ca -0.07 -0.81 -0.05 0.00 -2.89 0.00 0.00 54.13 50.30 1nr1 s LEU 326 Cb -0.15 -1.65 0.14 0.00 0.66 0.00 0.00 46.19 45.20 1nr1 s LEU 326 CO 0.05 -0.10 0.38 0.27 -1.89 0.00 0.00 176.35 175.06 1nr1 s ILE 327 N 1.33 3.89 -0.18 6.68 -0.00 0.38 -1.65 121.20 131.66 1nr1 s ILE 327 Ca 0.01 -2.39 -0.29 0.00 -0.00 0.00 0.00 60.65 57.99 1nr1 s ILE 327 Cb -0.16 -3.56 -0.05 0.00 -0.00 0.00 0.00 42.46 38.69 1nr1 s ILE 327 CO -0.05 -0.82 1.91 -2.84 -0.00 0.00 0.00 174.94 173.14 1nr1 s PRO 328 N 0.63 3.59 -0.48 0.37 0.02 -1.25 -1.23 135.00 136.65 1nr1 s PRO 328 Ca 0.12 1.95 0.08 0.00 0.02 0.00 0.00 61.00 63.18 1nr1 s PRO 328 Cb -0.21 -4.19 0.33 0.00 0.02 0.00 0.00 34.50 30.44 1nr1 s PRO 328 CO -0.03 -1.56 0.80 0.00 -0.33 0.00 0.00 177.00 175.87 1nr1 n ALA 329 N 9.55 3.30 -2.00 -1.55 0.00 0.34 -2.51 120.51 127.65 1nr1 n ALA 329 Ca 0.23 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1nr1 n ALA 329 Cb 0.44 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.24 0.00 -1.05 0.00 0.00 -1.20 -4.17 120.51 114.32 1nr1 n ALA 330 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 1nr1 n ALA 330 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.63 -4.89 0.00 7.64 -1.26 -4.77 113.62 105.71 1nr1 n SER 331 Ca 0.00 0.33 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 1nr1 n SER 331 Cb 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1nr1 n SER 331 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1nr1 s GLU 332 N -2.07 3.57 -0.47 1.43 2.12 -1.26 -4.51 118.70 117.51 1nr1 s GLU 332 Ca 0.48 0.39 -0.12 0.00 0.36 0.00 0.00 54.97 56.08 1nr1 s GLU 332 Cb -0.26 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 31.86 1nr1 s GLU 332 CO 0.75 -0.32 0.28 0.36 -0.54 0.00 0.00 175.26 175.79 1nr1 n LYS 333 N -2.38 -0.69 0.04 4.30 2.85 0.14 -4.88 118.16 117.54 1nr1 n LYS 333 Ca 0.02 -0.15 -0.09 0.00 -1.05 0.00 0.00 58.31 57.05 1nr1 n LYS 333 Cb 0.55 -0.56 -0.06 0.00 -0.65 0.00 0.00 35.03 34.30 1nr1 n LYS 333 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1nr1 h GLN 334 N 0.65 -0.19 -6.20 -1.58 7.50 0.12 -3.41 115.11 111.99 1nr1 h GLN 334 Ca -0.29 0.01 -0.54 0.00 0.50 0.00 0.00 58.65 58.33 1nr1 h GLN 334 Cb 0.59 0.04 -0.08 0.00 0.05 0.00 0.00 27.48 28.08 1nr1 h GLN 334 CO 0.20 0.19 1.21 -0.51 -1.50 0.00 0.00 178.83 178.43 1nr1 s LEU 335 N -8.82 3.29 0.44 1.46 1.43 -1.07 -4.96 118.68 110.45 1nr1 s LEU 335 Ca -0.10 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 1nr1 s LEU 335 Cb -0.00 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1nr1 s LEU 335 CO 0.37 -1.84 0.29 0.42 0.23 0.00 0.00 176.35 175.82 1nr1 s THR 336 N 6.07 2.30 -1.07 5.49 -4.23 -1.26 -2.67 115.64 120.26 1nr1 s THR 336 Ca 0.44 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1nr1 s THR 336 Cb -0.06 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1nr1 s THR 336 CO 0.06 0.00 0.06 1.17 -0.54 0.00 0.00 174.62 175.37 1nr1 n LYS 337 N -1.45 0.11 0.00 3.99 4.81 -1.26 -0.44 118.16 123.92 1nr1 n LYS 337 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1nr1 n LYS 337 Cb 0.63 -1.05 -0.01 0.00 0.02 0.00 0.00 35.03 34.63 1nr1 n LYS 337 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nr1 n SER 338 N 0.38 0.29 0.00 3.14 2.88 -1.26 -4.71 113.62 114.34 1nr1 n SER 338 Ca 0.00 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1nr1 n SER 338 Cb 0.02 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1nr1 n SER 338 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nr1 n ASN 339 N -0.83 0.00 -0.29 -3.46 2.04 -0.43 -4.87 115.26 107.41 1nr1 n ASN 339 Ca 0.01 -0.51 0.03 0.00 -0.44 0.00 0.00 54.58 53.67 1nr1 n ASN 339 Cb 0.04 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 37.52 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 0.00 1.50 0.00 -2.53 0.00 -1.03 0.65 119.26 117.85 1nr1 h ALA 340 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nr1 h ALA 340 Cb 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nr1 h ALA 340 CO 0.00 0.38 0.00 -1.35 0.00 0.00 0.00 179.25 178.28 1nr1 h PRO 341 N 1.04 0.00 -0.65 0.00 0.11 -1.89 -3.18 132.00 127.43 1nr1 h PRO 341 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1nr1 h PRO 341 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1nr1 h PRO 341 CO -0.13 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.53 1nr1 n ARG 342 N -2.42 2.58 -2.27 1.05 0.63 0.20 -4.97 116.66 111.47 1nr1 n ARG 342 Ca 0.03 -2.45 -0.33 0.00 -0.92 0.00 0.00 57.85 54.17 1nr1 n ARG 342 Cb 0.32 -1.53 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 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 -1.14 3.75 -0.03 5.15 -7.23 -1.09 -4.65 120.40 115.17 1nr1 s VAL 343 Ca 0.45 0.95 0.08 0.00 -1.81 0.00 0.00 61.98 61.66 1nr1 s VAL 343 Cb 0.24 -3.40 -0.13 0.00 0.56 0.00 0.00 36.38 33.65 1nr1 s VAL 343 CO 0.32 -0.37 0.15 0.29 -0.31 0.00 0.00 175.10 175.18 1nr1 n LYS 344 N -1.53 0.77 -2.60 4.82 4.76 -0.96 -5.01 118.16 118.41 1nr1 n LYS 344 Ca 0.09 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 1nr1 n LYS 344 Cb 0.53 -1.20 -0.05 0.00 -1.84 0.00 0.00 35.03 32.47 1nr1 n LYS 344 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nr1 s ALA 345 N -2.51 3.34 -0.82 7.82 0.00 -1.15 -4.42 121.76 124.03 1nr1 s ALA 345 Ca -0.03 0.74 0.27 0.00 0.00 0.00 0.00 51.96 52.93 1nr1 s ALA 345 Cb 0.05 -3.30 0.95 0.00 0.00 0.00 0.00 23.12 20.82 1nr1 s ALA 345 CO 0.35 -0.07 1.82 1.63 0.00 0.00 0.00 175.76 179.49 1nr1 n LYS 346 N 2.06 0.17 -4.07 0.00 4.76 0.61 -4.74 118.16 116.95 1nr1 n LYS 346 Ca 0.01 0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.36 1nr1 n LYS 346 Cb 0.47 -1.70 -0.17 0.00 -1.84 0.00 0.00 35.03 31.78 1nr1 n LYS 346 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nr1 s ILE 347 N -3.07 0.75 -0.21 -0.18 1.01 -0.09 -1.90 121.20 117.50 1nr1 s ILE 347 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1nr1 s ILE 347 Cb 0.14 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1nr1 s ILE 347 CO 0.57 0.30 0.09 -0.63 0.00 0.00 0.00 174.94 175.27 1nr1 s ILE 348 N 1.35 4.82 -0.58 2.92 -1.09 0.29 -0.66 121.20 128.25 1nr1 s ILE 348 Ca -0.03 -0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1nr1 s ILE 348 Cb -0.14 -3.21 0.14 0.00 -1.58 0.00 0.00 42.46 37.68 1nr1 s ILE 348 CO -0.03 0.40 0.35 0.00 -1.23 0.00 0.00 174.94 174.43 1nr1 s ALA 349 N 0.86 3.48 -0.94 9.38 0.00 -0.66 0.22 121.76 134.11 1nr1 s ALA 349 Ca 0.05 -3.42 -0.26 0.00 0.00 0.00 0.00 51.96 48.33 1nr1 s ALA 349 Cb -0.13 -2.24 -0.19 0.00 0.00 0.00 0.00 23.12 20.55 1nr1 s ALA 349 CO 0.03 -2.05 2.27 -1.21 0.00 0.00 0.00 175.76 174.80 1nr1 s GLU 350 N -0.55 1.34 -0.52 0.00 2.02 -0.41 -3.81 118.70 116.76 1nr1 s GLU 350 Ca 0.19 0.05 -0.00 0.00 0.02 0.00 0.00 54.97 55.22 1nr1 s GLU 350 Cb -0.20 -4.87 0.43 0.00 0.10 0.00 0.00 34.13 29.58 1nr1 s GLU 350 CO -0.04 -5.05 1.97 0.41 0.02 0.00 0.00 175.26 172.57 1nr1 n GLY 351 N 6.49 5.03 3.51 -1.39 0.00 -1.04 -4.11 105.19 113.68 1nr1 n GLY 351 Ca 0.44 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 1nr1 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 352 N -3.13 -1.48 0.20 4.61 0.00 -1.21 -4.56 121.76 116.19 1nr1 s ALA 352 Ca 0.53 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 1nr1 s ALA 352 Cb 0.43 0.88 -0.08 0.00 0.00 0.00 0.00 23.12 24.34 1nr1 s ALA 352 CO 0.02 -0.83 0.74 -0.80 0.00 0.00 0.00 175.76 174.89 1nr1 s ASN 353 N -2.79 7.17 -1.41 0.00 0.01 -1.26 -4.34 114.94 112.32 1nr1 s ASN 353 Ca 0.03 1.50 -0.14 0.00 -0.71 0.00 0.00 52.86 53.54 1nr1 s ASN 353 Cb -0.02 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.21 1nr1 s ASN 353 CO -0.08 0.10 0.30 0.61 -1.51 0.00 0.00 177.10 176.52 1nr1 n GLY 354 N 1.05 -0.42 0.20 0.66 0.00 -1.26 -4.71 105.19 100.71 1nr1 n GLY 354 Ca -0.04 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1nr1 n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nr1 h PRO 355 N -2.13 0.00 -5.11 1.61 0.13 -1.83 0.39 132.00 125.05 1nr1 h PRO 355 Ca -0.68 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.81 1nr1 h PRO 355 Cb 1.40 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.20 1nr1 h PRO 355 CO 0.63 0.05 -0.86 0.95 -0.23 0.00 0.00 178.00 178.54 1nr1 s THR 356 N -3.20 1.81 0.46 1.56 -4.23 -1.26 0.15 115.64 110.94 1nr1 s THR 356 Ca 0.06 -0.87 -0.22 0.00 -1.18 0.00 0.00 61.69 59.47 1nr1 s THR 356 Cb 0.06 -1.59 -0.08 0.00 1.34 0.00 0.00 72.50 72.24 1nr1 s THR 356 CO 0.69 0.50 1.13 0.42 -0.54 0.00 0.00 174.62 176.83 1nr1 s THR 357 N 0.48 3.26 0.28 3.99 -4.23 -1.09 -4.84 115.64 113.49 1nr1 s THR 357 Ca -0.17 0.91 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1nr1 s THR 357 Cb -0.17 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.49 1nr1 s THR 357 CO 0.06 -0.04 1.71 -0.65 -0.54 0.00 0.00 174.62 175.16 1nr1 h PRO 358 N 1.98 0.42 -0.57 3.99 0.11 -1.97 0.27 132.00 136.23 1nr1 h PRO 358 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1nr1 h PRO 358 Cb 1.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1nr1 h PRO 358 CO 0.60 0.28 0.35 0.93 -0.21 0.00 0.00 178.00 179.95 1nr1 h GLU 359 N 0.43 0.78 -0.18 1.05 4.39 -1.96 -0.89 114.58 118.20 1nr1 h GLU 359 Ca 0.52 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 60.10 1nr1 h GLU 359 Cb 0.92 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1nr1 h GLU 359 CO -0.49 0.56 -0.10 0.00 -1.16 0.00 0.00 179.01 177.82 1nr1 h ALA 360 N 1.17 1.49 -0.79 3.43 0.00 -0.86 -1.16 119.26 122.54 1nr1 h ALA 360 Ca 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nr1 h ALA 360 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1nr1 h ALA 360 CO -0.04 0.36 0.41 -0.44 0.00 0.00 0.00 179.25 179.54 1nr1 h ASP 361 N 0.27 1.02 -0.55 0.00 3.32 0.49 -2.20 116.42 118.77 1nr1 h ASP 361 Ca 0.06 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1nr1 h ASP 361 Cb 0.36 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1nr1 h ASP 361 CO 0.02 0.84 0.36 0.11 -1.72 0.00 0.00 179.24 178.85 1nr1 h LYS 362 N 1.11 0.70 -0.04 3.56 1.57 -0.45 -1.02 116.57 122.01 1nr1 h LYS 362 Ca 0.28 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1nr1 h LYS 362 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1nr1 h LYS 362 CO -0.04 0.46 0.01 0.82 -0.57 0.00 0.00 179.45 180.14 1nr1 h ILE 363 N 0.72 1.15 -0.58 1.86 1.08 -1.28 -1.96 117.51 118.51 1nr1 h ILE 363 Ca 0.21 -0.44 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1nr1 h ILE 363 Cb -0.06 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1nr1 h ILE 363 CO -0.06 0.12 0.36 -0.26 -0.69 0.00 0.00 178.15 177.63 1nr1 h PHE 364 N -0.11 0.69 0.00 1.37 0.04 -1.34 0.23 116.94 117.81 1nr1 h PHE 364 Ca 0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1nr1 h PHE 364 Cb 0.18 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1nr1 h PHE 364 CO -0.01 0.41 -0.14 1.25 -0.60 0.00 0.00 178.31 179.22 1nr1 h LEU 365 N 0.73 0.00 0.12 1.54 6.46 -1.11 0.47 115.31 123.52 1nr1 h LEU 365 Ca 0.22 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.79 1nr1 h LEU 365 Cb -0.02 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1nr1 h LEU 365 CO -0.08 0.14 -0.90 -0.33 -0.62 0.00 0.00 178.44 176.65 1nr1 h GLU 366 N 0.00 0.24 -1.33 1.25 5.08 -0.51 -3.31 114.58 116.01 1nr1 h GLU 366 Ca -0.00 -0.42 -0.35 0.00 -1.00 0.00 0.00 59.36 57.59 1nr1 h GLU 366 Cb 0.33 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 29.58 1nr1 h GLU 366 CO 0.02 1.20 0.45 2.89 -1.00 0.00 0.00 179.01 182.56 1nr1 n ARG 367 N -4.13 1.85 -4.04 2.33 1.85 -0.02 -4.90 116.66 109.60 1nr1 n ARG 367 Ca -0.17 -1.74 -0.34 0.00 -1.00 0.00 0.00 57.85 54.60 1nr1 n ARG 367 Cb 0.80 -1.68 -0.03 0.00 -1.05 0.00 0.00 32.46 30.50 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 0.03 -1.35 -4.42 2.89 5.03 -0.73 -4.95 115.26 111.76 1nr1 n ASN 368 Ca 0.34 -1.10 -0.36 0.00 0.87 0.00 0.00 54.58 54.32 1nr1 n ASN 368 Cb 0.74 -1.35 -0.13 0.00 -1.02 0.00 0.00 39.78 38.02 1nr1 n ASN 368 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nr1 s ILE 369 N -3.96 4.09 -0.06 2.41 -1.09 0.16 -4.87 121.20 117.87 1nr1 s ILE 369 Ca 0.21 -0.25 -0.26 0.00 -2.23 0.00 0.00 60.65 58.12 1nr1 s ILE 369 Cb -0.12 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 1nr1 s ILE 369 CO 0.84 0.36 0.83 -0.32 -1.23 0.00 0.00 174.94 175.43 1nr1 s MET 370 N 1.55 4.46 -0.21 2.79 -2.45 -0.80 -4.29 119.30 120.35 1nr1 s MET 370 Ca 0.06 1.12 -0.02 0.00 -1.25 0.00 0.00 55.69 55.60 1nr1 s MET 370 Cb -0.15 -3.48 0.00 0.00 1.25 0.00 0.00 34.83 32.46 1nr1 s MET 370 CO 0.02 -0.05 -0.10 0.08 1.05 0.00 0.00 175.02 176.02 1nr1 s VAL 371 N 1.14 2.88 -0.47 10.11 1.01 -1.25 0.11 120.40 133.93 1nr1 s VAL 371 Ca 0.43 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1nr1 s VAL 371 Cb -0.19 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1nr1 s VAL 371 CO 0.21 0.45 0.86 -0.63 0.00 0.00 0.00 175.10 175.99 1nr1 s ILE 372 N 1.40 4.54 0.99 2.22 1.01 0.60 -4.27 121.20 127.70 1nr1 s ILE 372 Ca 0.05 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 1nr1 s ILE 372 Cb -0.14 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 37.84 1nr1 s ILE 372 CO -0.07 -0.81 -0.46 -2.65 0.00 0.00 0.00 174.94 170.95 1nr1 n PRO 373 N 6.99 -0.11 0.03 2.79 -0.02 -1.26 -1.29 135.00 142.13 1nr1 n PRO 373 Ca 0.04 -0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.28 1nr1 n PRO 373 Cb 0.48 -1.27 -0.14 0.00 -0.02 0.00 0.00 33.50 32.55 1nr1 n PRO 373 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nr1 h ASP 374 N -1.18 0.47 -0.10 2.55 -0.00 -1.84 -0.39 116.42 115.93 1nr1 h ASP 374 Ca -0.44 -0.89 0.03 0.00 -0.00 0.00 0.00 57.03 55.73 1nr1 h ASP 374 Cb 1.30 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 40.47 1nr1 h ASP 374 CO 0.26 1.71 0.63 0.25 -0.00 0.00 0.00 179.24 182.10 1nr1 h LEU 375 N -0.12 0.00 0.00 0.15 5.85 -1.91 -2.58 115.31 116.70 1nr1 h LEU 375 Ca -0.33 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1nr1 h LEU 375 Cb 1.91 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1nr1 h LEU 375 CO 0.11 0.00 -1.02 0.00 -0.34 0.00 0.00 178.44 177.18 1nr1 n TYR 376 N -2.84 0.00 0.27 1.25 4.19 -1.24 -4.57 117.16 114.22 1nr1 n TYR 376 Ca 0.01 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.36 1nr1 n TYR 376 Cb 0.69 -0.02 0.75 0.00 0.49 0.00 0.00 39.34 41.26 1nr1 n TYR 376 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nr1 h LEU 377 N -0.02 0.00 -4.11 2.98 5.85 -0.87 -3.00 115.31 116.14 1nr1 h LEU 377 Ca -0.01 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.18 1nr1 h LEU 377 Cb 1.01 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 41.62 1nr1 h LEU 377 CO -0.01 0.10 -0.83 -0.46 -0.34 0.00 0.00 178.44 176.91 1nr1 n ASN 378 N -3.58 4.51 -1.04 1.25 2.04 -0.99 -2.75 115.26 114.70 1nr1 n ASN 378 Ca -0.02 -3.58 0.08 0.00 -0.44 0.00 0.00 54.58 50.63 1nr1 n ASN 378 Cb 0.23 -0.39 0.24 0.00 -2.53 0.00 0.00 39.78 37.34 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 -0.62 2.49 -0.06 -2.53 0.00 -1.13 -4.39 120.51 114.26 1nr1 n ALA 379 Ca 0.39 -0.98 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1nr1 n ALA 379 Cb 0.87 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 1nr1 n ALA 379 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nr1 h GLY 380 N 4.78 0.37 0.58 0.00 0.00 -1.81 -2.83 103.07 104.16 1nr1 h GLY 380 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1nr1 h GLY 380 CO 0.02 0.26 -0.28 -1.33 0.00 0.00 0.00 176.54 175.22 1nr1 h GLY 381 N 0.09 -0.57 0.46 4.60 0.00 -1.77 -0.20 103.07 105.68 1nr1 h GLY 381 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1nr1 h GLY 381 CO 0.01 -0.24 0.00 -0.62 0.00 0.00 0.00 176.54 175.69 1nr1 n VAL 382 N -5.40 0.00 -0.03 4.60 0.31 -1.20 -0.06 118.33 116.55 1nr1 n VAL 382 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1nr1 n VAL 382 Cb 0.31 -0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 32.52 1nr1 n VAL 382 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1nr1 n THR 383 N -0.73 0.95 0.31 2.52 -1.04 -0.21 -4.32 114.28 111.75 1nr1 n THR 383 Ca 0.01 0.26 0.15 0.00 -2.04 0.00 0.00 64.05 62.43 1nr1 n THR 383 Cb 0.00 -1.84 0.78 0.00 -1.82 0.00 0.00 70.33 67.45 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 -0.44 0.05 -0.03 12.58 2.07 0.08 0.22 116.25 130.77 1nr1 h VAL 384 Ca 0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 1nr1 h VAL 384 Cb 0.44 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1nr1 h VAL 384 CO 0.00 0.00 -0.94 0.77 0.02 0.00 0.00 177.57 177.42 1nr1 h SER 385 N 0.00 0.71 -0.51 0.57 4.64 -0.70 0.43 113.55 118.69 1nr1 h SER 385 Ca 0.02 -0.54 0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1nr1 h SER 385 Cb 0.76 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.59 1nr1 h SER 385 CO -0.00 1.34 0.24 0.22 -0.87 0.00 0.00 176.83 177.76 1nr1 h TYR 386 N 0.33 0.44 -0.70 4.77 -0.00 -0.78 0.55 116.97 121.58 1nr1 h TYR 386 Ca -0.09 0.02 0.01 0.00 -0.00 0.00 0.00 58.73 58.67 1nr1 h TYR 386 Cb 1.57 -0.12 -0.04 0.00 -0.00 0.00 0.00 36.73 38.14 1nr1 h TYR 386 CO 0.08 0.20 0.46 0.74 -0.00 0.00 0.00 178.16 179.64 1nr1 h PHE 387 N 0.47 0.87 0.05 -3.82 0.05 -1.10 0.28 116.94 113.74 1nr1 h PHE 387 Ca 0.23 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 62.04 1nr1 h PHE 387 Cb 0.16 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.82 1nr1 h PHE 387 CO -0.11 0.54 -0.03 1.49 -0.18 0.00 0.00 178.31 180.02 1nr1 h GLU 388 N 0.93 -0.07 -0.11 1.51 4.81 0.66 0.30 114.58 122.61 1nr1 h GLU 388 Ca 0.26 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1nr1 h GLU 388 Cb -0.09 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1nr1 h GLU 388 CO -0.06 -0.01 -0.24 2.35 -0.73 0.00 0.00 179.01 180.31 1nr1 h TRP 389 N -0.11 -0.65 -0.98 0.92 7.01 -0.37 0.18 115.95 121.94 1nr1 h TRP 389 Ca -0.01 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.14 1nr1 h TRP 389 Cb 0.09 0.31 -0.08 0.00 -2.10 0.00 0.00 29.16 27.37 1nr1 h TRP 389 CO -0.06 -0.33 0.62 -0.07 -2.79 0.00 0.00 178.44 175.81 1nr1 h LEU 390 N -0.32 0.90 -1.01 0.65 3.38 0.13 0.21 115.31 119.24 1nr1 h LEU 390 Ca 0.10 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1nr1 h LEU 390 Cb 0.46 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1nr1 h LEU 390 CO -0.30 0.48 0.40 0.50 0.09 0.00 0.00 178.44 179.62 1nr1 h LYS 391 N 0.96 1.10 0.00 1.13 3.64 0.19 -0.59 116.57 123.00 1nr1 h LYS 391 Ca 0.48 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1nr1 h LYS 391 Cb 0.49 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1nr1 h LYS 391 CO -0.25 0.83 0.00 -0.91 -2.27 0.00 0.00 179.45 176.85 1nr1 h ASN 392 N 1.10 0.00 0.16 4.20 4.21 0.21 -2.35 115.58 123.11 1nr1 h ASN 392 Ca 0.27 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.43 1nr1 h ASN 392 Cb 0.07 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.24 1nr1 h ASN 392 CO -0.04 0.00 -2.01 0.18 -1.29 0.00 0.00 177.43 174.27 1nr1 n LEU 393 N -2.75 2.39 0.12 1.61 4.77 -0.69 -4.14 117.00 118.32 1nr1 n LEU 393 Ca 0.01 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1nr1 n LEU 393 Cb 0.23 -0.90 0.48 0.00 -2.33 0.00 0.00 43.42 40.91 1nr1 n LEU 393 CO 0.23 0.79 0.85 0.59 -1.33 0.00 0.00 177.39 178.52 1nr1 n ASN 394 N -3.39 0.63 -1.86 -1.43 3.02 -0.32 -4.85 115.26 107.06 1nr1 n ASN 394 Ca -0.31 0.66 -0.10 0.00 -0.03 0.00 0.00 54.58 54.80 1nr1 n ASN 394 Cb 1.05 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 1nr1 n ASN 394 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nr1 n HIS 395 N -2.20 -1.02 -4.02 3.10 8.25 -0.91 -4.91 115.22 113.52 1nr1 n HIS 395 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1nr1 n HIS 395 Cb 0.22 -2.31 -0.08 0.00 1.12 0.00 0.00 29.99 28.94 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 -2.17 0.07 0.19 1.59 1.01 -1.24 -5.10 120.40 114.75 1nr1 s VAL 396 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 61.98 60.30 1nr1 s VAL 396 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 1nr1 s VAL 396 CO 0.00 -0.32 0.58 -0.94 0.00 0.00 0.00 175.10 174.42 1nr1 s SER 397 N -3.00 6.78 0.40 3.32 1.04 -1.26 -4.77 113.70 116.21 1nr1 s SER 397 Ca 0.20 1.07 -0.26 0.00 0.48 0.00 0.00 55.95 57.45 1nr1 s SER 397 Cb 0.04 -2.29 -0.08 0.00 0.10 0.00 0.00 66.02 63.79 1nr1 s SER 397 CO 0.01 0.02 1.25 -0.31 0.98 0.00 0.00 173.24 175.19 1nr1 s TYR 398 N -1.61 2.92 0.00 5.02 1.51 -1.26 -3.05 117.35 120.88 1nr1 s TYR 398 Ca 0.42 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1nr1 s TYR 398 Cb -0.14 -3.55 0.00 0.00 -0.11 0.00 0.00 41.96 38.16 1nr1 s TYR 398 CO 0.20 -1.76 0.00 0.41 -1.11 0.00 0.00 175.55 173.28 1nr1 n GLY 399 N 0.67 2.45 0.00 0.71 0.00 -1.26 -4.18 105.19 103.58 1nr1 n GLY 399 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.07 1.61 0.00 -1.17 0.11 116.66 117.28 1nr1 n ARG 400 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1nr1 n ARG 400 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 32.46 32.72 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 -3.07 0.71 -0.02 6.15 4.32 -1.26 -4.50 117.00 119.33 1nr1 n LEU 401 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 1nr1 n LEU 401 Cb 0.00 -0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 41.51 1nr1 n LEU 401 CO 0.00 -0.08 -0.65 0.35 -1.22 0.00 0.00 177.39 175.79 1nr1 n THR 402 N -2.11 0.23 -0.05 -5.08 -2.24 0.31 -4.66 114.28 100.68 1nr1 n THR 402 Ca 0.04 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1nr1 n THR 402 Cb 0.43 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1nr1 n THR 402 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nr1 h PHE 403 N 0.00 -0.34 -0.94 4.78 0.05 -1.64 0.34 116.94 119.19 1nr1 h PHE 403 Ca -0.09 0.02 0.15 0.00 3.82 0.00 0.00 57.97 61.87 1nr1 h PHE 403 Cb 0.88 0.16 -0.08 0.00 2.00 0.00 0.00 35.95 38.91 1nr1 h PHE 403 CO 0.00 -0.08 0.60 -0.22 -0.18 0.00 0.00 178.31 178.42 1nr1 h LYS 404 N -0.05 0.74 -0.38 1.51 1.63 -1.88 0.19 116.57 118.33 1nr1 h LYS 404 Ca 0.02 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1nr1 h LYS 404 Cb 0.10 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1nr1 h LYS 404 CO -0.14 0.49 0.23 -0.92 -3.45 0.00 0.00 179.45 175.66 1nr1 h TYR 405 N 0.76 0.43 -0.11 1.91 3.20 -1.40 -0.72 116.97 121.05 1nr1 h TYR 405 Ca 0.48 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.38 1nr1 h TYR 405 Cb 0.72 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1nr1 h TYR 405 CO -0.00 0.26 0.01 1.49 -1.64 0.00 0.00 178.16 178.28 1nr1 h GLU 406 N 0.47 0.06 0.15 1.82 4.81 0.24 -1.53 114.58 120.60 1nr1 h GLU 406 Ca 0.15 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1nr1 h GLU 406 Cb -0.02 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1nr1 h GLU 406 CO -0.06 0.04 -0.40 -0.09 -0.73 0.00 0.00 179.01 177.77 1nr1 h ARG 407 N 0.06 -0.63 -0.82 1.92 2.43 -0.60 0.07 114.38 116.81 1nr1 h ARG 407 Ca 0.05 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 1nr1 h ARG 407 Cb 0.05 0.14 -0.14 0.00 -0.42 0.00 0.00 29.97 29.60 1nr1 h ARG 407 CO -0.07 -0.42 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.15 1nr1 h ASP 408 N -0.66 -1.35 -0.75 -3.80 3.45 -0.82 0.18 116.42 112.67 1nr1 h ASP 408 Ca 0.02 0.28 0.03 0.00 0.43 0.00 0.00 57.03 57.78 1nr1 h ASP 408 Cb 0.67 0.69 -0.04 0.00 -0.56 0.00 0.00 39.33 40.09 1nr1 h ASP 408 CO -0.22 -0.30 0.50 0.28 -1.57 0.00 0.00 179.24 177.94 1nr1 h SER 409 N -0.08 0.80 0.27 6.45 0.02 -0.41 -2.58 113.55 118.02 1nr1 h SER 409 Ca 0.29 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1nr1 h SER 409 Cb 0.57 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1nr1 h SER 409 CO -0.85 0.55 -0.44 0.78 -1.14 0.00 0.00 176.83 175.73 1nr1 h ASN 410 N 0.93 0.23 1.56 3.07 -0.26 0.13 -1.87 115.58 119.37 1nr1 h ASN 410 Ca 0.30 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 1nr1 h ASN 410 Cb 0.04 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1nr1 h ASN 410 CO -0.08 0.65 -0.08 1.88 -1.06 0.00 0.00 177.43 178.73 1nr1 h TYR 411 N 0.18 0.00 0.12 1.19 -1.99 -0.98 -1.79 116.97 113.70 1nr1 h TYR 411 Ca 0.01 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.46 1nr1 h TYR 411 Cb 0.85 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.60 1nr1 h TYR 411 CO 0.01 0.08 -1.22 0.45 -0.00 0.00 0.00 178.16 177.49 1nr1 h HIS 412 N 0.00 0.80 0.24 4.88 3.86 -1.18 0.59 115.15 124.34 1nr1 h HIS 412 Ca -0.00 -0.52 -0.01 0.00 -1.16 0.00 0.00 60.37 58.68 1nr1 h HIS 412 Cb 0.89 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1nr1 h HIS 412 CO 0.00 1.38 -0.11 -0.07 0.86 0.00 0.00 177.93 179.98 1nr1 h LEU 413 N 0.20 -0.27 -0.66 2.43 -0.00 -1.21 0.10 115.31 115.90 1nr1 h LEU 413 Ca -0.16 -0.12 0.02 0.00 -0.00 0.00 0.00 57.88 57.62 1nr1 h LEU 413 Cb 1.90 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 42.60 1nr1 h LEU 413 CO 0.22 -0.04 0.42 -0.07 -0.00 0.00 0.00 178.44 178.97 1nr1 h LEU 414 N -0.49 0.71 -1.53 1.67 3.38 -1.37 -2.08 115.31 115.60 1nr1 h LEU 414 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1nr1 h LEU 414 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nr1 h LEU 414 CO 0.05 0.50 -0.08 0.24 0.09 0.00 0.00 178.44 179.25 1nr1 h MET 415 N 0.84 0.21 0.00 1.13 2.86 -0.76 -0.53 114.93 118.68 1nr1 h MET 415 Ca 0.26 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.69 1nr1 h MET 415 Cb -0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1nr1 h MET 415 CO -0.08 0.30 -0.81 0.77 1.06 0.00 0.00 176.91 178.15 1nr1 h SER 416 N 0.20 0.01 0.47 1.22 0.02 -0.35 -0.44 113.55 114.70 1nr1 h SER 416 Ca 0.05 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1nr1 h SER 416 Cb 0.27 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1nr1 h SER 416 CO 0.01 0.82 -0.23 0.58 -1.14 0.00 0.00 176.83 176.88 1nr1 h VAL 417 N 0.01 0.37 0.00 2.27 2.07 -0.79 -1.43 116.25 118.74 1nr1 h VAL 417 Ca -0.01 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1nr1 h VAL 417 Cb 1.44 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1nr1 h VAL 417 CO 0.11 0.06 0.00 1.67 0.02 0.00 0.00 177.57 179.43 1nr1 n GLN 418 N -5.24 0.00 -0.34 1.57 7.27 -0.26 -0.75 117.38 119.63 1nr1 n GLN 418 Ca -0.10 0.54 0.10 0.00 0.07 0.00 0.00 57.00 57.61 1nr1 n GLN 418 Cb 0.30 -1.23 0.21 0.00 2.41 0.00 0.00 30.24 31.93 1nr1 n GLN 418 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1nr1 h GLU 419 N 0.00 0.01 -0.34 3.69 5.08 -1.19 0.26 114.58 122.10 1nr1 h GLU 419 Ca 0.00 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1nr1 h GLU 419 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1nr1 h GLU 419 CO 0.00 0.01 0.02 1.03 -1.00 0.00 0.00 179.01 179.07 1nr1 h SER 420 N 0.01 -0.08 -0.33 1.42 0.87 -0.41 -2.55 113.55 112.48 1nr1 h SER 420 Ca 0.53 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 61.13 1nr1 h SER 420 Cb 0.97 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1nr1 h SER 420 CO -0.94 -0.01 0.09 -0.07 -0.53 0.00 0.00 176.83 175.37 1nr1 h LEU 421 N 0.13 0.49 -0.87 2.23 4.07 0.11 -2.63 115.31 118.83 1nr1 h LEU 421 Ca 0.16 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1nr1 h LEU 421 Cb 0.21 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1nr1 h LEU 421 CO -0.25 0.58 0.15 -0.62 -1.08 0.00 0.00 178.44 177.22 1nr1 n GLU 422 N -4.65 0.09 -0.10 1.13 1.02 -0.67 0.39 120.64 117.85 1nr1 n GLU 422 Ca -0.02 0.55 0.06 0.00 -0.02 0.00 0.00 57.16 57.74 1nr1 n GLU 422 Cb 0.18 -1.94 0.23 0.00 -0.02 0.00 0.00 31.44 29.89 1nr1 n GLU 422 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nr1 n ARG 423 N -1.97 1.57 -2.99 3.49 1.74 -0.99 -3.61 116.66 113.89 1nr1 n ARG 423 Ca -0.01 -0.87 -0.25 0.00 -0.77 0.00 0.00 57.85 55.95 1nr1 n ARG 423 Cb 0.17 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1nr1 n ARG 423 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nr1 n LYS 424 N 0.16 2.71 0.00 5.56 4.81 0.16 -4.87 118.16 126.69 1nr1 n LYS 424 Ca 0.11 -4.51 0.00 0.00 -0.87 0.00 0.00 58.31 53.04 1nr1 n LYS 424 Cb 0.23 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1nr1 n LYS 424 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nr1 n PHE 425 N -0.13 0.00 -1.54 5.64 -0.00 -1.24 -5.03 117.46 115.18 1nr1 n PHE 425 Ca 0.30 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.50 1nr1 n PHE 425 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.83 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 -0.20 3.28 7.13 0.00 -1.26 -4.76 105.19 109.38 1nr1 n GLY 426 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 1nr1 n GLY 426 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr1 s LYS 427 N 8.34 1.49 -0.45 1.61 1.02 -1.24 -5.10 119.74 125.41 1nr1 s LYS 427 Ca 1.09 -1.83 0.05 0.00 0.02 0.00 0.00 55.97 55.30 1nr1 s LYS 427 Cb -0.47 0.08 0.28 0.00 -0.52 0.00 0.00 37.83 37.20 1nr1 s LYS 427 CO 0.29 -0.46 1.04 -2.39 -0.92 0.00 0.00 175.35 172.92 1nr1 n HIS 428 N -0.48 -2.68 0.00 3.18 1.44 -1.26 -4.91 115.22 110.50 1nr1 n HIS 428 Ca 0.02 -1.69 0.00 0.00 -2.01 0.00 0.00 57.72 54.05 1nr1 n HIS 428 Cb 0.65 1.51 0.00 0.00 0.12 0.00 0.00 29.99 32.27 1nr1 n HIS 428 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nr1 n GLY 429 N 1.13 -0.37 0.00 -1.39 0.00 -1.26 -5.09 105.19 98.21 1nr1 n GLY 429 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.31 3.76 -0.02 0.00 -1.26 -4.76 105.19 101.60 1nr1 n GLY 430 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nr1 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nr1 s THR 431 N -1.17 3.31 -0.47 2.61 2.01 -1.26 -5.02 115.64 115.66 1nr1 s THR 431 Ca 0.00 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.36 1nr1 s THR 431 Cb 0.00 -3.84 0.16 0.00 0.01 0.00 0.00 72.50 68.83 1nr1 s THR 431 CO 0.00 0.32 0.35 0.27 -0.69 0.00 0.00 174.62 174.87 1nr1 s ILE 432 N -1.15 0.94 0.04 1.82 -4.36 -1.26 -4.92 121.20 112.31 1nr1 s ILE 432 Ca 0.45 -2.89 -0.17 0.00 -0.26 0.00 0.00 60.65 57.79 1nr1 s ILE 432 Cb -0.34 -1.65 -0.22 0.00 1.25 0.00 0.00 42.46 41.50 1nr1 s ILE 432 CO 0.44 -1.13 1.16 -0.65 0.24 0.00 0.00 174.94 174.99 1nr1 h PRO 433 N 5.82 0.55 -0.06 0.37 0.11 -1.95 -3.31 132.00 133.54 1nr1 h PRO 433 Ca 0.20 -0.56 0.02 0.00 0.11 0.00 0.00 66.00 65.77 1nr1 h PRO 433 Cb 0.88 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1nr1 h PRO 433 CO 0.44 1.18 0.01 0.44 -0.21 0.00 0.00 178.00 179.86 1nr1 n ILE 434 N -4.08 -0.02 -1.72 4.15 -5.35 -1.26 -4.11 119.36 106.96 1nr1 n ILE 434 Ca -0.10 0.12 -0.43 0.00 -0.27 0.00 0.00 62.75 62.07 1nr1 n ILE 434 Cb 0.74 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 38.43 1nr1 n ILE 434 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nr1 s VAL 435 N -4.54 3.14 0.68 7.28 0.11 -1.25 -4.91 120.40 120.91 1nr1 s VAL 435 Ca -0.01 0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 1nr1 s VAL 435 Cb 0.02 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1nr1 s VAL 435 CO 0.04 -0.07 1.06 -2.84 -3.33 0.00 0.00 175.10 169.97 1nr1 s PRO 436 N 5.43 2.95 0.61 1.54 0.02 -1.26 -4.99 135.00 139.31 1nr1 s PRO 436 Ca 0.91 1.05 -0.18 0.00 0.02 0.00 0.00 61.00 62.80 1nr1 s PRO 436 Cb -0.34 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 1nr1 s PRO 436 CO 0.36 -1.09 1.15 0.95 -0.33 0.00 0.00 177.00 178.05 1nr1 s THR 437 N -2.87 2.93 0.30 0.99 -4.23 -1.26 -4.66 115.64 106.84 1nr1 s THR 437 Ca 0.60 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 61.69 1nr1 s THR 437 Cb -0.15 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.86 1nr1 s THR 437 CO 0.50 -0.18 1.78 0.00 -0.54 0.00 0.00 174.62 176.19 1nr1 h ALA 438 N 0.61 1.68 0.19 3.99 0.00 -1.98 0.71 119.26 124.46 1nr1 h ALA 438 Ca -0.49 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1nr1 h ALA 438 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nr1 h ALA 438 CO 0.55 -0.04 -0.09 0.93 0.00 0.00 0.00 179.25 180.60 1nr1 h GLU 439 N 0.78 -0.24 -0.54 0.00 3.07 -2.00 -0.78 114.58 114.87 1nr1 h GLU 439 Ca 0.57 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.51 1nr1 h GLU 439 Cb 0.87 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.78 1nr1 h GLU 439 CO -0.36 -0.04 0.23 0.35 -1.40 0.00 0.00 179.01 177.79 1nr1 h PHE 440 N -0.41 0.42 -0.81 4.33 -0.00 -1.38 -1.64 116.94 117.46 1nr1 h PHE 440 Ca -0.03 0.02 0.10 0.00 -0.00 0.00 0.00 57.97 58.06 1nr1 h PHE 440 Cb 0.31 -0.11 -0.07 0.00 -0.00 0.00 0.00 35.95 36.08 1nr1 h PHE 440 CO -0.02 0.17 0.46 0.37 -0.00 0.00 0.00 178.31 179.29 1nr1 h GLN 441 N 0.45 0.74 0.57 1.11 5.75 0.76 0.16 115.11 124.65 1nr1 h GLN 441 Ca 0.25 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 1nr1 h GLN 441 Cb 0.23 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.62 1nr1 h GLN 441 CO -0.22 0.49 -0.27 -0.44 -2.65 0.00 0.00 178.83 175.74 1nr1 h ASP 442 N 0.77 -0.65 -0.95 -0.69 3.45 -0.29 -1.28 116.42 116.78 1nr1 h ASP 442 Ca 0.39 0.01 0.22 0.00 0.43 0.00 0.00 57.03 58.08 1nr1 h ASP 442 Cb 0.37 0.17 -0.12 0.00 -0.56 0.00 0.00 39.33 39.19 1nr1 h ASP 442 CO -0.25 -0.45 0.51 -0.09 -1.57 0.00 0.00 179.24 177.39 1nr1 h ARG 443 N -0.79 0.54 0.00 3.56 2.43 -0.45 0.38 114.38 120.04 1nr1 h ARG 443 Ca -0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1nr1 h ARG 443 Cb 0.60 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1nr1 h ARG 443 CO 0.13 0.36 -0.09 0.82 -1.51 0.00 0.00 179.97 179.67 1nr1 h ILE 444 N 0.55 0.26 -0.20 1.20 1.08 -0.27 -1.34 117.51 118.79 1nr1 h ILE 444 Ca 0.59 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1nr1 h ILE 444 Cb 1.05 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1nr1 h ILE 444 CO -0.47 0.09 0.00 -1.20 -0.69 0.00 0.00 178.15 175.89 1nr1 n SER 445 N -3.26 3.24 -0.00 1.72 7.64 0.12 -4.44 113.62 118.64 1nr1 n SER 445 Ca 0.00 -2.75 -0.01 0.00 1.01 0.00 0.00 58.87 57.12 1nr1 n SER 445 Cb 0.33 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.50 -0.02 0.00 0.23 0.00 -0.18 -5.02 105.19 99.71 1nr1 n GLY 446 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.44 0.00 -2.94 4.61 0.00 -0.52 -4.92 120.51 114.31 1nr1 n ALA 447 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1nr1 n ALA 447 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.94 0.11 0.00 1.04 -1.26 -5.07 113.70 109.46 1nr1 s SER 448 Ca 0.00 -1.50 -0.24 0.00 0.48 0.00 0.00 55.95 54.69 1nr1 s SER 448 Cb 0.00 0.68 -0.09 0.00 0.10 0.00 0.00 66.02 66.71 1nr1 s SER 448 CO 0.00 -1.33 1.68 -0.08 0.98 0.00 0.00 173.24 174.49 1nr1 h GLU 449 N 2.09 -0.25 -0.77 4.02 4.81 -1.92 -2.76 114.58 119.80 1nr1 h GLU 449 Ca -0.28 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1nr1 h GLU 449 Cb 1.24 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.54 1nr1 h GLU 449 CO 0.39 -0.17 -0.07 1.57 -0.73 0.00 0.00 179.01 180.00 1nr1 h LYS 450 N -0.26 0.05 -0.32 1.92 2.10 -1.93 0.79 116.57 118.92 1nr1 h LYS 450 Ca 0.03 -0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.77 1nr1 h LYS 450 Cb 0.30 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1nr1 h LYS 450 CO -0.10 0.04 0.49 -0.44 -2.00 0.00 0.00 179.45 177.43 1nr1 h ASP 451 N 0.05 0.00 0.11 7.07 3.32 -1.85 0.24 116.42 125.36 1nr1 h ASP 451 Ca 0.40 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.08 1nr1 h ASP 451 Cb 0.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1nr1 h ASP 451 CO -0.72 0.00 -2.08 -0.38 -1.72 0.00 0.00 179.24 174.34 1nr1 n ILE 452 N -3.38 1.74 0.29 0.35 2.08 0.26 -3.35 119.36 117.35 1nr1 n ILE 452 Ca 0.05 -0.64 -0.16 0.00 0.56 0.00 0.00 62.75 62.56 1nr1 n ILE 452 Cb 0.63 -1.68 -0.08 0.00 -0.75 0.00 0.00 39.64 37.76 1nr1 n ILE 452 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1nr1 h VAL 453 N 0.06 0.42 -0.58 1.39 2.07 0.32 0.40 116.25 120.33 1nr1 h VAL 453 Ca -0.45 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1nr1 h VAL 453 Cb 2.01 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 32.20 1nr1 h VAL 453 CO 0.06 0.04 -0.06 0.45 0.02 0.00 0.00 177.57 178.08 1nr1 h HIS 454 N -0.88 -0.14 -0.63 1.57 3.86 -0.86 0.37 115.15 118.43 1nr1 h HIS 454 Ca -0.07 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1nr1 h HIS 454 Cb 0.61 0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 1nr1 h HIS 454 CO -0.01 -0.19 0.41 1.03 0.86 0.00 0.00 177.93 180.03 1nr1 h SER 455 N 0.07 0.69 -0.73 2.45 0.87 -1.54 0.54 113.55 115.90 1nr1 h SER 455 Ca 0.29 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1nr1 h SER 455 Cb 0.46 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1nr1 h SER 455 CO -0.53 0.49 0.39 1.23 -0.53 0.00 0.00 176.83 177.88 1nr1 h GLY 456 N 0.82 1.10 0.82 5.77 0.00 0.15 0.43 103.07 112.17 1nr1 h GLY 456 Ca 0.24 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1nr1 h GLY 456 CO -0.07 0.49 -0.28 -2.00 0.00 0.00 0.00 176.54 174.69 1nr1 h LEU 457 N 1.02 -0.71 -0.68 3.11 6.46 0.23 -0.91 115.31 123.83 1nr1 h LEU 457 Ca 0.26 0.05 0.12 0.00 -0.12 0.00 0.00 57.88 58.19 1nr1 h LEU 457 Cb 0.06 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.12 1nr1 h LEU 457 CO -0.04 -0.43 0.24 0.00 -0.62 0.00 0.00 178.44 177.60 1nr1 h ALA 458 N -0.12 0.91 -0.28 1.25 0.00 -0.60 0.46 119.26 120.88 1nr1 h ALA 458 Ca -0.04 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nr1 h ALA 458 Cb 0.56 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1nr1 h ALA 458 CO 0.02 -0.22 0.17 -0.92 0.00 0.00 0.00 179.25 178.30 1nr1 h TYR 459 N 0.40 0.32 0.66 0.00 5.03 -0.37 -1.38 116.97 121.63 1nr1 h TYR 459 Ca 0.36 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.65 1nr1 h TYR 459 Cb 0.52 -0.11 0.01 0.00 1.55 0.00 0.00 36.73 38.70 1nr1 h TYR 459 CO -0.18 0.20 -0.32 1.15 -1.32 0.00 0.00 178.16 177.69 1nr1 h THR 460 N 0.35 0.00 -0.91 1.81 2.02 -0.27 -0.89 112.91 115.03 1nr1 h THR 460 Ca 0.11 -0.17 0.18 0.00 0.77 0.00 0.00 66.41 67.30 1nr1 h THR 460 Cb -0.02 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.22 1nr1 h THR 460 CO -0.04 0.00 -0.24 0.24 0.37 0.00 0.00 175.52 175.85 1nr1 h MET 461 N -1.05 -0.00 0.55 6.66 2.86 -0.96 0.91 114.93 123.89 1nr1 h MET 461 Ca -0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1nr1 h MET 461 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1nr1 h MET 461 CO 0.15 -0.00 -0.41 1.49 1.06 0.00 0.00 176.91 179.20 1nr1 h GLU 462 N -0.00 -0.90 -0.55 1.72 4.81 -1.15 -0.36 114.58 118.15 1nr1 h GLU 462 Ca 0.43 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.75 1nr1 h GLU 462 Cb 0.66 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1nr1 h GLU 462 CO -0.94 -0.60 0.36 0.00 -0.73 0.00 0.00 179.01 177.11 1nr1 h ALA 463 N -0.64 1.74 -0.26 2.92 0.00 0.05 -2.52 119.26 120.55 1nr1 h ALA 463 Ca -0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1nr1 h ALA 463 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nr1 h ALA 463 CO 0.02 0.20 -0.10 0.77 0.00 0.00 0.00 179.25 180.13 1nr1 h SER 464 N 0.62 0.53 -0.02 0.00 0.02 -0.57 -1.98 113.55 112.15 1nr1 h SER 464 Ca 0.22 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1nr1 h SER 464 Cb 0.11 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1nr1 h SER 464 CO -0.06 0.80 -0.42 0.00 -1.14 0.00 0.00 176.83 176.01 1nr1 h ALA 465 N 0.74 -0.66 -0.22 3.77 0.00 -0.66 0.29 119.26 122.53 1nr1 h ALA 465 Ca 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1nr1 h ALA 465 Cb 0.59 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1nr1 h ALA 465 CO 0.03 -0.95 0.24 0.00 0.00 0.00 0.00 179.25 178.57 1nr1 h ARG 466 N -0.56 0.00 0.01 0.00 2.47 -1.40 0.26 114.38 115.17 1nr1 h ARG 466 Ca 0.05 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.57 1nr1 h ARG 466 Cb 0.65 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.99 1nr1 h ARG 466 CO -0.33 0.00 -0.79 1.96 0.56 0.00 0.00 179.97 181.37 1nr1 h GLN 467 N 0.00 0.51 0.67 0.04 4.20 0.03 -1.12 115.11 119.44 1nr1 h GLN 467 Ca 0.10 -0.57 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 1nr1 h GLN 467 Cb 0.58 0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1nr1 h GLN 467 CO -0.00 1.20 -0.32 0.82 -0.67 0.00 0.00 178.83 179.86 1nr1 h ILE 468 N 0.06 0.34 -0.14 2.54 1.08 0.11 -1.61 117.51 119.89 1nr1 h ILE 468 Ca -0.10 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.40 1nr1 h ILE 468 Cb 1.49 0.34 -0.07 0.00 -3.07 0.00 0.00 36.82 35.52 1nr1 h ILE 468 CO 0.16 0.00 -0.52 0.24 -0.69 0.00 0.00 178.15 177.34 1nr1 h MET 469 N -0.90 -0.54 -0.85 2.37 2.86 -0.61 0.65 114.93 117.92 1nr1 h MET 469 Ca -0.09 0.04 0.24 0.00 -2.06 0.00 0.00 59.70 57.82 1nr1 h MET 469 Cb 0.69 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 1nr1 h MET 469 CO 0.15 -0.36 0.60 -0.09 1.06 0.00 0.00 176.91 178.27 1nr1 h ARG 470 N -0.56 0.04 0.01 1.72 2.43 -1.06 -0.62 114.38 116.35 1nr1 h ARG 470 Ca 0.04 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1nr1 h ARG 470 Cb 0.67 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1nr1 h ARG 470 CO -0.44 0.03 -0.32 1.15 -1.51 0.00 0.00 179.97 178.88 1nr1 h THR 471 N 0.04 1.55 -0.18 0.20 2.02 0.03 -1.57 112.91 115.02 1nr1 h THR 471 Ca 0.41 -2.06 0.03 0.00 0.77 0.00 0.00 66.41 65.56 1nr1 h THR 471 Cb 1.56 2.86 -0.06 0.00 -1.74 0.00 0.00 68.15 70.76 1nr1 h THR 471 CO -0.02 0.57 -0.49 0.00 0.37 0.00 0.00 175.52 175.94 1nr1 h ALA 472 N 0.22 -0.82 -0.42 6.16 0.00 0.57 0.15 119.26 125.11 1nr1 h ALA 472 Ca -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nr1 h ALA 472 Cb 1.10 0.99 -0.07 0.00 0.00 0.00 0.00 17.79 19.82 1nr1 h ALA 472 CO 0.06 -1.01 -0.45 0.52 0.00 0.00 0.00 179.25 178.37 1nr1 h MET 473 N -0.48 -0.24 -0.90 0.00 2.07 -1.43 0.36 114.93 114.31 1nr1 h MET 473 Ca 0.04 0.02 0.17 0.00 -2.07 0.00 0.00 59.70 57.86 1nr1 h MET 473 Cb 0.59 0.05 -0.17 0.00 -1.87 0.00 0.00 31.60 30.20 1nr1 h MET 473 CO -0.42 -0.16 -0.25 1.17 1.07 0.00 0.00 176.91 178.32 1nr1 n LYS 474 N -4.81 -0.10 -0.87 1.72 4.81 -0.54 0.11 118.16 118.47 1nr1 n LYS 474 Ca -0.02 1.41 0.01 0.00 -0.87 0.00 0.00 58.31 58.83 1nr1 n LYS 474 Cb 0.26 -2.10 0.32 0.00 0.02 0.00 0.00 35.03 33.53 1nr1 n LYS 474 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nr1 n TYR 475 N -5.45 2.00 -3.42 5.64 4.01 0.41 -5.00 117.16 115.35 1nr1 n TYR 475 Ca 0.14 -1.02 -0.20 0.00 -0.16 0.00 0.00 57.90 56.66 1nr1 n TYR 475 Cb 0.44 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.04 -3.62 -4.58 7.72 4.05 0.12 -4.98 115.26 113.94 1nr1 n ASN 476 Ca 0.33 -0.68 -0.23 0.00 0.45 0.00 0.00 54.58 54.45 1nr1 n ASN 476 Cb 1.22 -1.19 -0.08 0.00 1.23 0.00 0.00 39.78 40.96 1nr1 n ASN 476 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1nr1 s LEU 477 N -4.00 2.95 0.00 1.20 1.43 -0.79 -5.01 118.68 114.46 1nr1 s LEU 477 Ca 0.03 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1nr1 s LEU 477 Cb -0.00 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1nr1 s LEU 477 CO 0.67 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.87 1nr1 n GLY 478 N -0.79 0.22 2.33 -3.19 0.00 -1.26 -4.53 105.19 97.97 1nr1 n GLY 478 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 7.48 -3.89 0.99 4.32 -1.26 -4.56 117.00 120.08 1nr1 n LEU 479 Ca 0.00 -4.19 -0.41 0.00 -0.02 0.00 0.00 56.01 51.38 1nr1 n LEU 479 Cb 0.00 -1.01 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 1nr1 n LEU 479 CO 0.00 1.47 1.10 -0.67 -1.22 0.00 0.00 177.39 178.07 1nr1 n ASP 480 N -0.64 6.37 0.12 -1.43 2.03 -1.26 -4.04 116.55 117.69 1nr1 n ASP 480 Ca 0.57 -3.47 -0.13 0.00 0.52 0.00 0.00 54.79 52.28 1nr1 n ASP 480 Cb 0.60 -1.20 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 1nr1 n ASP 480 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nr1 h LEU 481 N 5.12 -0.24 -0.76 -2.67 -0.00 -1.80 -3.06 115.31 111.90 1nr1 h LEU 481 Ca 0.25 -0.16 0.08 0.00 -0.00 0.00 0.00 57.88 58.05 1nr1 h LEU 481 Cb 0.57 0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 41.19 1nr1 h LEU 481 CO 1.27 0.03 -0.41 -1.14 -0.00 0.00 0.00 178.44 178.20 1nr1 n ARG 482 N -5.11 -0.29 0.05 1.13 0.63 -1.26 0.22 116.66 112.02 1nr1 n ARG 482 Ca -0.09 1.16 0.12 0.00 -0.92 0.00 0.00 57.85 58.12 1nr1 n ARG 482 Cb 0.21 -1.71 0.49 0.00 0.45 0.00 0.00 32.46 31.90 1nr1 n ARG 482 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1nr1 n THR 483 N -5.00 0.43 0.19 5.15 5.66 -1.23 -2.14 114.28 117.34 1nr1 n THR 483 Ca 0.03 -0.04 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1nr1 n THR 483 Cb 0.23 -0.67 -0.07 0.00 -1.55 0.00 0.00 70.33 68.27 1nr1 n THR 483 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nr1 h ALA 484 N 2.69 -0.53 -3.00 1.79 0.00 0.27 -2.63 119.26 117.85 1nr1 h ALA 484 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nr1 h ALA 484 Cb 0.53 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nr1 h ALA 484 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1nr1 n ALA 485 N -2.57 0.00 -0.45 0.00 0.00 0.96 -0.68 120.51 117.76 1nr1 n ALA 485 Ca -0.09 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.70 1nr1 n ALA 485 Cb 0.28 0.10 0.55 0.00 0.00 0.00 0.00 19.45 20.38 1nr1 n ALA 485 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nr1 n TYR 486 N -0.42 0.00 0.23 0.00 4.01 -0.91 0.28 117.16 120.35 1nr1 n TYR 486 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1nr1 n TYR 486 Cb 0.00 -0.33 -0.05 0.00 -0.31 0.00 0.00 39.34 38.65 1nr1 n TYR 486 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1nr1 h VAL 487 N 0.00 0.00 -0.50 -0.72 2.07 -0.73 -1.21 116.25 115.15 1nr1 h VAL 487 Ca 0.63 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1nr1 h VAL 487 Cb 2.68 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 1nr1 h VAL 487 CO -0.01 0.00 -0.30 -3.20 0.02 0.00 0.00 177.57 174.09 1nr1 n ASN 488 N -4.75 -0.54 0.03 0.57 5.15 0.78 0.17 115.26 116.68 1nr1 n ASN 488 Ca -0.08 1.05 -0.06 0.00 -0.60 0.00 0.00 54.58 54.89 1nr1 n ASN 488 Cb 0.25 -0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.27 1nr1 n ASN 488 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nr1 h ALA 489 N 0.10 -0.69 -1.10 5.20 0.00 -1.39 -1.98 119.26 119.41 1nr1 h ALA 489 Ca 0.08 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 55.32 1nr1 h ALA 489 Cb 0.21 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1nr1 h ALA 489 CO -0.47 -0.75 0.65 0.82 0.00 0.00 0.00 179.25 179.50 1nr1 h ILE 490 N -0.28 0.22 0.13 0.00 2.04 0.10 0.57 117.51 120.29 1nr1 h ILE 490 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1nr1 h ILE 490 Cb 0.29 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1nr1 h ILE 490 CO -0.14 0.04 -0.06 -0.33 0.00 0.00 0.00 178.15 177.66 1nr1 h GLU 491 N 0.21 -0.17 0.03 2.37 5.08 0.17 -0.74 114.58 121.53 1nr1 h GLU 491 Ca 0.77 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 59.15 1nr1 h GLU 491 Cb 2.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 1nr1 h GLU 491 CO -0.55 -0.06 -0.34 0.87 -1.00 0.00 0.00 179.01 177.93 1nr1 h LYS 492 N -0.24 -0.43 0.03 2.33 1.79 0.80 -0.65 116.57 120.21 1nr1 h LYS 492 Ca -0.02 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1nr1 h LYS 492 Cb 0.19 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 1nr1 h LYS 492 CO 0.03 -0.28 -0.46 0.28 -1.08 0.00 0.00 179.45 177.94 1nr1 h VAL 493 N -0.44 0.10 -0.94 0.50 2.07 -1.37 -1.76 116.25 114.41 1nr1 h VAL 493 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1nr1 h VAL 493 Cb 0.46 0.10 -0.14 0.00 -1.52 0.00 0.00 31.29 30.20 1nr1 h VAL 493 CO -0.21 0.00 0.44 0.15 0.02 0.00 0.00 177.57 177.97 1nr1 h PHE 494 N -0.63 0.73 -0.14 1.57 3.57 -0.85 -0.81 116.94 120.38 1nr1 h PHE 494 Ca 0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1nr1 h PHE 494 Cb 0.69 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1nr1 h PHE 494 CO -0.44 -0.11 0.07 -0.22 -2.23 0.00 0.00 178.31 175.39 1nr1 h LYS 495 N 0.36 0.19 -0.09 1.11 3.64 -0.24 0.41 116.57 121.95 1nr1 h LYS 495 Ca 0.63 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 60.01 1nr1 h LYS 495 Cb 1.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1nr1 h LYS 495 CO -0.57 0.22 -0.09 0.28 -2.27 0.00 0.00 179.45 177.01 1nr1 h VAL 496 N 0.12 0.75 0.13 2.00 2.07 -0.75 -0.51 116.25 120.06 1nr1 h VAL 496 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1nr1 h VAL 496 Cb 0.08 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1nr1 h VAL 496 CO -0.01 0.00 -0.27 1.88 0.02 0.00 0.00 177.57 179.19 1nr1 h TYR 497 N -0.11 -0.73 -0.65 1.57 0.05 -1.27 -2.84 116.97 112.99 1nr1 h TYR 497 Ca 0.07 0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.99 1nr1 h TYR 497 Cb 0.20 0.30 -0.09 0.00 1.01 0.00 0.00 36.73 38.15 1nr1 h TYR 497 CO -0.20 -0.38 0.16 -0.97 -1.05 0.00 0.00 178.16 175.73 1nr1 h ASN 498 N -0.49 0.05 0.00 3.88 -0.00 0.28 -1.32 115.58 117.98 1nr1 h ASN 498 Ca 0.03 0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1nr1 h ASN 498 Cb 0.51 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.98 1nr1 h ASN 498 CO -0.15 0.02 0.00 -0.62 -0.00 0.00 0.00 177.43 176.68 1nr1 n GLU 499 N -5.11 0.78 0.00 6.67 1.02 -0.24 -4.18 120.64 119.57 1nr1 n GLU 499 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1nr1 n GLU 499 Cb 0.36 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1nr1 n GLU 499 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nr1 n ALA 500 N 0.83 0.28 0.00 0.62 0.00 -0.68 -5.05 120.51 116.51 1nr1 n ALA 500 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nr1 n ALA 500 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.18 -0.86 2.04 0.00 0.00 -0.58 -3.94 105.19 101.67 1nr1 n GLY 501 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.17 1.61 0.24 -1.26 -4.66 118.33 113.10 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 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.93 0.00 -2.54 3.34 -2.24 -1.26 -4.37 114.28 104.28 1nr1 n THR 503 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1nr1 n THR 503 Cb 0.00 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.00 1.36 1.04 4.78 0.99 -1.26 -5.28 117.46 119.09 1nr1 n PHE 504 Ca 0.00 -1.90 0.12 0.00 -0.00 0.00 0.00 57.45 55.67 1nr1 n PHE 504 Cb 0.44 -0.25 0.14 0.00 -1.00 0.00 0.00 39.48 38.81 1nr1 n PHE 504 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39