#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqt n PRO 7 N 0.00 1.21 -4.00 -0.67 -0.02 -1.26 -5.10 135.00 125.16 1nqt n PRO 7 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 1nqt n PRO 7 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1nqt n PRO 7 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1nqt s ASN 8 N -1.00 6.02 0.54 2.55 0.01 -1.26 -4.99 114.94 116.81 1nqt s ASN 8 Ca 0.00 -0.06 0.23 0.00 -0.71 0.00 0.00 52.86 52.32 1nqt s ASN 8 Cb 0.00 -1.67 1.42 0.00 0.41 0.00 0.00 41.25 41.41 1nqt s ASN 8 CO 0.00 -0.08 2.08 2.19 -1.51 0.00 0.00 177.10 179.78 1nqt h PHE 9 N 1.27 0.00 0.31 2.20 -5.15 -1.99 -1.82 116.94 111.76 1nqt h PHE 9 Ca -0.51 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.25 1nqt h PHE 9 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1nqt h PHE 9 CO 0.49 0.00 -0.15 0.35 -2.00 0.00 0.00 178.31 177.00 1nqt h PHE 10 N 0.00 -0.38 -0.44 6.09 3.57 -1.93 -2.28 116.94 121.56 1nqt h PHE 10 Ca 0.12 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1nqt h PHE 10 Cb 0.52 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 1nqt h PHE 10 CO 0.00 -0.10 -0.40 0.87 -2.23 0.00 0.00 178.31 176.45 1nqt h LYS 11 N -1.02 -0.28 0.00 1.11 1.79 -1.92 0.35 116.57 116.60 1nqt h LYS 11 Ca -0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1nqt h LYS 11 Cb 0.46 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1nqt h LYS 11 CO 0.07 -0.19 0.00 -1.33 -1.08 0.00 0.00 179.45 176.92 1nqt n MET 12 N -5.42 0.00 -0.18 3.15 2.81 -0.71 0.43 117.12 117.21 1nqt n MET 12 Ca 0.00 0.88 -0.05 0.00 -1.81 0.00 0.00 57.70 56.72 1nqt n MET 12 Cb 0.35 -1.43 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 1nqt n MET 12 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1nqt h VAL 13 N 0.00 0.21 -0.28 2.03 2.07 -0.80 0.13 116.25 119.61 1nqt h VAL 13 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1nqt h VAL 13 Cb 0.00 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1nqt h VAL 13 CO 0.00 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.03 1nqt h GLU 14 N -0.17 -0.08 0.00 1.57 5.08 0.48 0.15 114.58 121.61 1nqt h GLU 14 Ca 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1nqt h GLU 14 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nqt h GLU 14 CO -0.63 -0.05 0.00 0.41 -1.00 0.00 0.00 179.01 177.73 1nqt n GLY 15 N -1.12 -2.79 0.25 -3.84 0.00 0.17 -0.04 105.19 97.81 1nqt n GLY 15 Ca -0.00 0.55 0.09 0.00 0.00 0.00 0.00 46.02 46.65 1nqt n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nqt n PHE 16 N -2.31 0.41 0.50 1.61 3.01 0.14 -0.47 117.46 120.34 1nqt n PHE 16 Ca 0.00 0.88 -0.20 0.00 1.01 0.00 0.00 57.45 59.14 1nqt n PHE 16 Cb 0.00 -1.01 -0.09 0.00 -0.01 0.00 0.00 39.48 38.37 1nqt n PHE 16 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1nqt h PHE 17 N 0.00 -1.20 -0.93 1.38 3.57 0.24 -1.59 116.94 118.40 1nqt h PHE 17 Ca 0.41 -0.03 0.22 0.00 3.53 0.00 0.00 57.97 62.11 1nqt h PHE 17 Cb 0.80 0.40 -0.12 0.00 2.79 0.00 0.00 35.95 39.82 1nqt h PHE 17 CO -0.42 -0.74 0.46 -0.44 -2.23 0.00 0.00 178.31 174.93 1nqt h ASP 18 N -1.28 0.44 0.01 0.41 3.32 0.53 0.67 116.42 120.53 1nqt h ASP 18 Ca -0.13 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nqt h ASP 18 Cb 0.98 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1nqt h ASP 18 CO 0.20 0.04 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.67 1nqt h ARG 19 N 0.47 -0.01 -0.81 3.56 2.43 -0.64 -0.28 114.38 119.09 1nqt h ARG 19 Ca 0.58 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.91 1nqt h ARG 19 Cb 1.09 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.54 1nqt h ARG 19 CO -0.50 -0.01 0.34 0.78 -1.51 0.00 0.00 179.97 179.07 1nqt h GLY 20 N -0.02 1.27 -0.65 2.80 0.00 -0.57 -1.26 103.07 104.65 1nqt h GLY 20 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.24 1nqt h GLY 20 CO -0.00 -0.13 -0.51 0.00 0.00 0.00 0.00 176.54 175.90 1nqt h ALA 21 N 1.59 -0.48 -0.25 3.60 0.00 0.76 0.08 119.26 124.56 1nqt h ALA 21 Ca 0.46 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1nqt h ALA 21 Cb 0.73 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1nqt h ALA 21 CO -0.43 -0.92 0.13 0.66 0.00 0.00 0.00 179.25 178.69 1nqt h SER 22 N -0.20 0.32 0.06 0.00 4.64 0.06 -0.80 113.55 117.64 1nqt h SER 22 Ca 0.16 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nqt h SER 22 Cb 0.53 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1nqt h SER 22 CO -0.76 0.34 0.00 -0.38 -0.87 0.00 0.00 176.83 175.16 1nqt n ILE 23 N -4.83 1.53 -0.10 0.95 5.41 -0.51 -2.64 119.36 119.18 1nqt n ILE 23 Ca -0.03 0.38 -0.19 0.00 1.00 0.00 0.00 62.75 63.92 1nqt n ILE 23 Cb 0.09 -1.35 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 1nqt n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1nqt n VAL 24 N -1.41 1.35 0.00 1.39 0.31 -0.10 -4.73 118.33 115.13 1nqt n VAL 24 Ca 0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1nqt n VAL 24 Cb 0.02 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 1nqt n VAL 24 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nqt n GLU 25 N -4.14 0.00 -0.12 5.55 2.13 -0.38 -0.66 120.64 123.02 1nqt n GLU 25 Ca -0.34 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.45 1nqt n GLU 25 Cb 0.69 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.37 1nqt n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nqt n ASP 26 N -0.26 -0.31 0.00 4.31 8.00 -1.26 0.95 116.55 127.98 1nqt n ASP 26 Ca 0.00 0.90 0.04 0.00 0.71 0.00 0.00 54.79 56.45 1nqt n ASP 26 Cb 0.00 -0.26 0.25 0.00 -0.02 0.00 0.00 41.12 41.09 1nqt n ASP 26 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nqt n LYS 27 N -3.62 0.79 0.06 -1.24 5.02 -0.34 -2.25 118.16 116.58 1nqt n LYS 27 Ca 0.01 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1nqt n LYS 27 Cb 0.08 -1.17 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 1nqt n LYS 27 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1nqt n LEU 28 N -0.67 0.77 -0.03 -0.35 7.94 0.27 -4.15 117.00 120.78 1nqt n LEU 28 Ca 0.06 0.31 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 1nqt n LEU 28 Cb 0.03 0.01 -0.01 0.00 0.53 0.00 0.00 43.42 43.97 1nqt n LEU 28 CO 0.05 -0.04 -0.25 0.52 -1.11 0.00 0.00 177.39 176.56 1nqt n VAL 29 N -2.72 0.57 0.00 1.96 0.31 -0.96 -4.47 118.33 113.03 1nqt n VAL 29 Ca -0.05 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1nqt n VAL 29 Cb 0.67 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1nqt n VAL 29 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1nqt n GLU 30 N -3.24 0.00 0.00 5.55 0.28 -1.08 -0.91 120.64 121.23 1nqt n GLU 30 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1nqt n GLU 30 Cb 0.19 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 32.98 1nqt n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1nqt n ASP 31 N 0.00 0.00 -0.00 -1.84 5.68 -1.26 -1.44 116.55 117.68 1nqt n ASP 31 Ca 0.00 0.03 0.04 0.00 -0.50 0.00 0.00 54.79 54.37 1nqt n ASP 31 Cb 0.00 -0.03 -0.06 0.00 -1.14 0.00 0.00 41.12 39.89 1nqt n ASP 31 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1nqt n LEU 32 N -1.00 0.37 -2.45 -2.12 7.94 -1.19 -4.86 117.00 113.68 1nqt n LEU 32 Ca 0.00 -0.42 -0.03 0.00 -1.11 0.00 0.00 56.01 54.45 1nqt n LEU 32 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1nqt n LEU 32 CO 0.00 0.09 0.56 -2.11 -1.11 0.00 0.00 177.39 174.82 1nqt n ARG 33 N -1.31 0.23 0.04 1.96 1.85 -0.09 -4.98 116.66 114.36 1nqt n ARG 33 Ca 0.01 -0.63 0.11 0.00 -1.00 0.00 0.00 57.85 56.34 1nqt n ARG 33 Cb 0.16 0.01 -0.06 0.00 -1.05 0.00 0.00 32.46 31.52 1nqt n ARG 33 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1nqt n THR 34 N -0.47 0.24 0.27 8.89 -2.24 -0.52 -4.35 114.28 116.10 1nqt n THR 34 Ca -0.21 -0.42 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1nqt n THR 34 Cb 0.64 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.89 1nqt n THR 34 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1nqt n ARG 35 N -2.26 1.18 -0.18 -0.78 1.85 -1.26 -2.60 116.66 112.60 1nqt n ARG 35 Ca -0.01 -0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 1nqt n ARG 35 Cb 0.51 -1.16 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 1nqt n ARG 35 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1nqt n GLU 36 N 0.58 0.00 -1.62 2.89 0.28 -1.26 -5.15 120.64 116.36 1nqt n GLU 36 Ca 0.08 0.00 -0.52 0.00 -0.16 0.00 0.00 57.16 56.56 1nqt n GLU 36 Cb 0.61 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.42 1nqt n GLU 36 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1nqt n SER 37 N 0.00 1.94 -4.21 -1.84 7.64 -1.07 -4.99 113.62 111.08 1nqt n SER 37 Ca 0.00 1.11 -0.33 0.00 1.01 0.00 0.00 58.87 60.65 1nqt n SER 37 Cb 0.28 -1.21 -0.15 0.00 -1.01 0.00 0.00 64.21 62.11 1nqt n SER 37 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1nqt s GLU 38 N 1.09 3.15 -0.15 1.43 0.41 -1.26 -4.80 118.70 118.56 1nqt s GLU 38 Ca 0.86 -0.76 -0.02 0.00 -0.41 0.00 0.00 54.97 54.64 1nqt s GLU 38 Cb -0.94 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 28.76 1nqt s GLU 38 CO 0.49 -0.12 0.05 0.39 -0.49 0.00 0.00 175.26 175.58 1nqt n GLU 39 N 4.44 -1.20 -2.44 1.61 1.02 -1.26 -2.03 120.64 120.79 1nqt n GLU 39 Ca -0.20 0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 56.84 1nqt n GLU 39 Cb 0.51 -0.88 -0.02 0.00 -0.02 0.00 0.00 31.44 31.02 1nqt n GLU 39 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nqt n GLN 40 N -0.78 -1.61 0.00 3.49 1.13 -1.26 -4.52 117.38 113.83 1nqt n GLN 40 Ca 0.01 0.04 0.13 0.00 -1.94 0.00 0.00 57.00 55.24 1nqt n GLN 40 Cb 0.09 -2.80 0.48 0.00 0.11 0.00 0.00 30.24 28.12 1nqt n GLN 40 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nqt n LYS 41 N -2.02 0.48 0.27 -1.09 5.02 -0.86 -3.56 118.16 116.40 1nqt n LYS 41 Ca 0.03 -0.21 0.16 0.00 -2.02 0.00 0.00 58.31 56.28 1nqt n LYS 41 Cb 0.29 -1.50 0.88 0.00 -0.02 0.00 0.00 35.03 34.68 1nqt n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt h ARG 42 N 0.51 0.00 -0.00 1.97 2.47 -1.80 2.03 114.38 119.56 1nqt h ARG 42 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1nqt h ARG 42 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1nqt h ARG 42 CO 0.00 0.00 -0.06 -1.71 0.56 0.00 0.00 179.97 178.76 1nqt n ASN 43 N -2.71 0.06 0.05 7.04 5.15 -1.23 -2.46 115.26 121.16 1nqt n ASN 43 Ca -0.02 0.38 0.12 0.00 -0.60 0.00 0.00 54.58 54.46 1nqt n ASN 43 Cb 0.16 -0.41 0.23 0.00 -0.53 0.00 0.00 39.78 39.24 1nqt n ASN 43 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1nqt n ARG 44 N -1.49 0.23 0.00 1.20 0.63 0.69 -3.40 116.66 114.53 1nqt n ARG 44 Ca 0.07 0.09 0.13 0.00 -0.92 0.00 0.00 57.85 57.22 1nqt n ARG 44 Cb 0.34 -1.67 0.79 0.00 0.45 0.00 0.00 32.46 32.37 1nqt n ARG 44 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1nqt n VAL 45 N -2.02 0.00 0.83 5.15 3.14 -1.03 -3.33 118.33 121.07 1nqt n VAL 45 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1nqt n VAL 45 Cb 0.42 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 1nqt n VAL 45 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nqt n ARG 46 N -0.98 0.47 0.06 1.45 1.85 -1.22 -1.50 116.66 116.79 1nqt n ARG 46 Ca 0.20 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.95 1nqt n ARG 46 Cb 0.09 -1.05 -0.13 0.00 -1.05 0.00 0.00 32.46 30.32 1nqt n ARG 46 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nqt h GLY 47 N 2.81 0.08 -0.39 2.89 0.00 -1.86 -3.18 103.07 103.41 1nqt h GLY 47 Ca 0.00 -0.20 0.17 0.00 0.00 0.00 0.00 47.33 47.30 1nqt h GLY 47 CO 0.00 0.18 -0.03 -2.22 0.00 0.00 0.00 176.54 174.47 1nqt h ILE 48 N 0.02 0.32 0.00 2.60 1.08 -1.58 1.15 117.51 121.10 1nqt h ILE 48 Ca -0.09 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1nqt h ILE 48 Cb 1.86 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1nqt h ILE 48 CO 0.14 0.01 0.00 0.18 -0.69 0.00 0.00 178.15 177.79 1nqt n LEU 49 N -5.38 0.00 0.09 1.44 4.32 -1.21 -0.06 117.00 116.20 1nqt n LEU 49 Ca 0.13 0.38 0.11 0.00 -0.02 0.00 0.00 56.01 56.61 1nqt n LEU 49 Cb 0.46 -0.38 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 1nqt n LEU 49 CO 0.04 -0.13 -0.09 -1.14 -1.22 0.00 0.00 177.39 174.85 1nqt n ARG 50 N -1.38 0.61 -0.08 3.23 0.63 0.38 -3.50 116.66 116.54 1nqt n ARG 50 Ca 0.07 0.09 -0.16 0.00 -0.92 0.00 0.00 57.85 56.94 1nqt n ARG 50 Cb 0.19 -1.79 -0.10 0.00 0.45 0.00 0.00 32.46 31.21 1nqt n ARG 50 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1nqt h ILE 51 N 0.00 1.07 -0.01 5.15 2.04 0.24 -3.39 117.51 122.60 1nqt h ILE 51 Ca -0.01 -2.03 0.01 0.00 1.00 0.00 0.00 64.86 63.83 1nqt h ILE 51 Cb 1.05 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 1nqt h ILE 51 CO 0.00 0.36 -0.26 0.40 0.00 0.00 0.00 178.15 178.65 1nqt h ILE 52 N -1.00 0.00 -0.14 -0.67 2.04 -0.62 -3.19 117.51 113.92 1nqt h ILE 52 Ca -0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1nqt h ILE 52 Cb 1.01 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1nqt h ILE 52 CO -0.10 0.00 -0.08 1.17 0.00 0.00 0.00 178.15 179.14 1nqt n LYS 53 N -3.93 -0.06 -3.51 2.37 4.81 -1.23 -4.47 118.16 112.15 1nqt n LYS 53 Ca -0.03 0.22 -0.34 0.00 -0.87 0.00 0.00 58.31 57.28 1nqt n LYS 53 Cb 0.19 -0.32 -0.05 0.00 0.02 0.00 0.00 35.03 34.86 1nqt n LYS 53 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1nqt s PRO 54 N -5.09 3.80 0.15 1.64 0.04 -1.21 -5.02 135.00 129.32 1nqt s PRO 54 Ca -0.02 0.24 -0.31 0.00 0.04 0.00 0.00 61.00 60.94 1nqt s PRO 54 Cb 0.02 -2.90 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 1nqt s PRO 54 CO 0.09 0.48 1.64 0.00 0.04 0.00 0.00 177.00 179.26 1nqt h ASN 56 N 7.25 -0.48 -4.32 0.00 2.35 -1.31 -3.46 115.58 115.61 1nqt h ASN 56 Ca -0.43 -0.08 -0.49 0.00 -0.55 0.00 0.00 56.30 54.76 1nqt h ASN 56 Cb 1.20 0.12 -0.23 0.00 0.05 0.00 0.00 38.32 39.47 1nqt h ASN 56 CO 0.93 -0.20 -0.81 -1.00 -1.65 0.00 0.00 177.43 174.70 1nqt s HIS 57 N -5.29 1.47 -0.22 1.19 3.76 -1.20 -5.05 115.29 109.95 1nqt s HIS 57 Ca -0.15 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.32 1nqt s HIS 57 Cb 0.03 -0.84 0.12 0.00 1.11 0.00 0.00 32.58 32.99 1nqt s HIS 57 CO 0.57 0.10 0.35 0.54 -0.85 0.00 0.00 174.74 175.45 1nqt s VAL 58 N -1.06 -0.55 -0.25 -0.90 0.11 -1.26 -0.83 120.40 115.66 1nqt s VAL 58 Ca 0.03 -0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1nqt s VAL 58 Cb -0.09 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1nqt s VAL 58 CO 0.02 -0.10 0.15 -0.22 -3.33 0.00 0.00 175.10 171.63 1nqt s LEU 59 N 2.51 3.98 -0.02 2.54 2.96 0.04 -4.98 118.68 125.71 1nqt s LEU 59 Ca 0.09 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1nqt s LEU 59 Cb -0.15 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1nqt s LEU 59 CO -0.14 0.03 0.05 -0.44 -1.32 0.00 0.00 176.35 174.53 1nqt s SER 60 N 1.24 5.49 0.00 3.68 0.01 -1.26 -1.08 113.70 121.79 1nqt s SER 60 Ca 0.07 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1nqt s SER 60 Cb -0.14 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1nqt s SER 60 CO 0.06 0.29 0.00 0.18 0.41 0.00 0.00 173.24 174.18 1nqt n LEU 61 N 1.40 0.00 -3.15 2.44 4.77 0.14 -4.98 117.00 117.62 1nqt n LEU 61 Ca -0.14 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1nqt n LEU 61 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1nqt n LEU 61 CO 0.35 0.00 0.75 -0.55 -1.33 0.00 0.00 177.39 176.61 1nqt s SER 62 N -0.49 -0.00 0.07 -1.43 0.15 -1.25 -4.14 113.70 106.61 1nqt s SER 62 Ca 0.00 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1nqt s SER 62 Cb 0.00 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1nqt s SER 62 CO 0.00 -0.00 -0.09 0.72 1.20 0.00 0.00 173.24 175.06 1nqt s PHE 63 N 3.00 0.92 0.16 3.44 -0.12 -0.60 -4.92 117.98 119.86 1nqt s PHE 63 Ca 0.04 -0.60 0.04 0.00 -0.05 0.00 0.00 56.93 56.36 1nqt s PHE 63 Cb -0.05 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.78 1nqt s PHE 63 CO -0.12 -0.04 0.21 -1.25 -0.05 0.00 0.00 175.22 173.98 1nqt s PRO 64 N -2.31 3.18 0.06 1.99 0.04 -1.26 0.10 135.00 136.80 1nqt s PRO 64 Ca -0.01 -0.74 -0.05 0.00 0.04 0.00 0.00 61.00 60.24 1nqt s PRO 64 Cb -0.06 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 1nqt s PRO 64 CO -0.00 0.50 0.09 0.96 0.04 0.00 0.00 177.00 178.59 1nqt s ILE 65 N -1.76 0.16 -0.37 0.56 -4.36 -1.22 -4.96 121.20 109.25 1nqt s ILE 65 Ca 0.33 -1.34 -0.11 0.00 -0.26 0.00 0.00 60.65 59.27 1nqt s ILE 65 Cb -0.10 -1.23 0.03 0.00 1.25 0.00 0.00 42.46 42.40 1nqt s ILE 65 CO 0.26 -0.74 0.20 -0.60 0.24 0.00 0.00 174.94 174.30 1nqt s ARG 66 N -3.42 2.86 1.03 0.37 3.52 -1.26 -2.55 118.95 119.50 1nqt s ARG 66 Ca 0.02 -1.06 -0.15 0.00 -0.13 0.00 0.00 55.73 54.41 1nqt s ARG 66 Cb 0.04 -3.72 0.09 0.00 -1.56 0.00 0.00 34.95 29.79 1nqt s ARG 66 CO -0.08 -0.68 0.35 0.54 -0.81 0.00 0.00 175.30 174.61 1nqt n ARG 67 N 5.00 -0.98 -0.31 5.12 1.74 -0.40 -4.83 116.66 122.01 1nqt n ARG 67 Ca -0.12 -0.25 -0.02 0.00 -0.77 0.00 0.00 57.85 56.69 1nqt n ARG 67 Cb 0.46 -1.85 0.10 0.00 -1.02 0.00 0.00 32.46 30.15 1nqt n ARG 67 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1nqt h ASP 68 N -1.87 0.91 -0.16 0.55 3.32 -1.98 -1.83 116.42 115.37 1nqt h ASP 68 Ca -0.49 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.60 1nqt h ASP 68 Cb 1.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1nqt h ASP 68 CO 0.37 0.64 0.17 -2.24 -1.72 0.00 0.00 179.24 176.46 1nqt h ASP 69 N 1.07 0.00 0.00 6.45 3.04 -2.04 -3.45 116.42 121.49 1nqt h ASP 69 Ca 0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.12 1nqt h ASP 69 Cb -0.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 1nqt h ASP 69 CO -0.11 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.70 1nqt n GLY 70 N -1.39 1.25 3.79 7.15 0.00 -0.69 -5.11 105.19 110.19 1nqt n GLY 70 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1nqt n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 71 N -1.70 7.28 0.16 1.61 1.04 -1.26 -4.81 113.70 116.02 1nqt s SER 71 Ca 0.00 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 1nqt s SER 71 Cb 0.00 -2.48 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 1nqt s SER 71 CO 0.00 0.14 0.62 0.26 0.98 0.00 0.00 173.24 175.24 1nqt s TRP 72 N -1.29 3.67 -0.26 5.02 0.51 -1.26 -1.27 118.94 124.05 1nqt s TRP 72 Ca 0.39 1.23 -0.08 0.00 -2.12 0.00 0.00 56.10 55.51 1nqt s TRP 72 Cb -0.21 -2.49 0.12 0.00 -0.81 0.00 0.00 33.47 30.09 1nqt s TRP 72 CO 0.24 0.43 0.55 -2.00 -0.51 0.00 0.00 176.95 175.66 1nqt s GLU 73 N -1.78 0.47 0.23 4.98 2.12 -1.06 -4.96 118.70 118.71 1nqt s GLU 73 Ca 0.38 1.22 -0.30 0.00 0.36 0.00 0.00 54.97 56.63 1nqt s GLU 73 Cb -0.17 0.59 -0.09 0.00 0.26 0.00 0.00 34.13 34.72 1nqt s GLU 73 CO 0.20 -0.27 1.26 0.14 -0.54 0.00 0.00 175.26 176.05 1nqt s VAL 74 N 2.77 3.21 0.13 3.70 -7.23 -1.26 -3.45 120.40 118.28 1nqt s VAL 74 Ca -0.01 1.06 0.06 0.00 -1.81 0.00 0.00 61.98 61.27 1nqt s VAL 74 Cb -0.12 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1nqt s VAL 74 CO -0.17 0.19 0.02 -0.63 -0.31 0.00 0.00 175.10 174.21 1nqt s ILE 75 N -0.30 4.00 -0.04 -0.62 1.01 0.29 -4.90 121.20 120.63 1nqt s ILE 75 Ca 0.53 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1nqt s ILE 75 Cb -0.36 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1nqt s ILE 75 CO 0.41 0.00 -0.23 -1.61 0.00 0.00 0.00 174.94 173.51 1nqt s GLU 76 N -2.66 2.19 0.22 2.79 2.02 -1.26 -1.56 118.70 120.43 1nqt s GLU 76 Ca 0.27 -0.84 -0.19 0.00 0.02 0.00 0.00 54.97 54.23 1nqt s GLU 76 Cb -0.11 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.20 1nqt s GLU 76 CO 0.19 0.41 0.59 0.20 0.02 0.00 0.00 175.26 176.68 1nqt s GLY 77 N -0.29 -0.15 -0.10 -1.39 0.00 -1.26 -0.15 107.32 103.98 1nqt s GLY 77 Ca 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.42 1nqt s GLY 77 CO 0.02 -0.16 0.39 -0.19 0.00 0.00 0.00 173.10 173.16 1nqt s TYR 78 N -3.87 -0.37 0.03 1.90 1.51 0.76 0.24 117.35 117.55 1nqt s TYR 78 Ca 0.09 0.80 0.06 0.00 -1.01 0.00 0.00 57.07 57.02 1nqt s TYR 78 Cb -0.02 0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.96 1nqt s TYR 78 CO -0.01 -0.30 -0.18 0.50 -1.11 0.00 0.00 175.55 174.45 1nqt s ARG 79 N -0.43 1.23 -0.06 -0.62 3.52 -0.24 0.92 118.95 123.27 1nqt s ARG 79 Ca -0.06 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1nqt s ARG 79 Cb -0.03 -1.27 0.01 0.00 -1.56 0.00 0.00 34.95 32.10 1nqt s ARG 79 CO 0.03 0.33 -0.11 0.00 -0.81 0.00 0.00 175.30 174.74 1nqt s ALA 80 N -0.73 1.11 -0.25 6.12 0.00 -0.27 -0.78 121.76 126.97 1nqt s ALA 80 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1nqt s ALA 80 Cb -0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1nqt s ALA 80 CO 0.01 0.10 0.01 -0.65 0.00 0.00 0.00 175.76 175.24 1nqt s GLN 81 N 0.63 3.28 -0.00 0.00 -0.21 -0.01 -0.94 119.66 122.41 1nqt s GLN 81 Ca -0.12 -0.71 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 1nqt s GLN 81 Cb -0.15 -3.18 -0.00 0.00 1.00 0.00 0.00 33.01 30.68 1nqt s GLN 81 CO 0.03 -0.29 0.36 1.25 -2.12 0.00 0.00 175.29 174.51 1nqt h HIS 82 N 8.16 -0.03 -2.63 0.91 -0.00 0.21 -3.17 115.15 118.61 1nqt h HIS 82 Ca -0.37 -0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.38 1nqt h HIS 82 Cb 1.15 0.01 -0.16 0.00 -0.00 0.00 0.00 27.41 28.41 1nqt h HIS 82 CO 0.61 -0.02 -0.78 0.45 -0.00 0.00 0.00 177.93 178.19 1nqt s SER 83 N -2.81 3.48 -0.01 3.26 0.15 -1.22 -1.64 113.70 114.91 1nqt s SER 83 Ca -0.00 -0.96 0.03 0.00 0.70 0.00 0.00 55.95 55.71 1nqt s SER 83 Cb 0.00 -0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.12 1nqt s SER 83 CO 0.01 0.06 1.07 1.41 1.20 0.00 0.00 173.24 177.00 1nqt n HIS 84 N -0.26 0.12 -0.32 3.44 8.25 -1.26 -4.17 115.22 121.02 1nqt n HIS 84 Ca -0.08 -0.52 0.13 0.00 -0.26 0.00 0.00 57.72 56.98 1nqt n HIS 84 Cb 0.58 -0.05 0.31 0.00 1.12 0.00 0.00 29.99 31.95 1nqt n HIS 84 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1nqt h GLN 85 N 0.48 0.50 -4.75 -0.41 -0.00 -1.95 -3.29 115.11 105.70 1nqt h GLN 85 Ca 0.00 -0.03 -0.69 0.00 -0.00 0.00 0.00 58.65 57.93 1nqt h GLN 85 Cb 0.58 -0.11 -0.27 0.00 -0.00 0.00 0.00 27.48 27.68 1nqt h GLN 85 CO 0.00 0.33 -0.61 0.50 -0.00 0.00 0.00 178.83 179.05 1nqt s ARG 86 N -5.88 2.88 0.00 0.06 6.06 -1.26 -4.97 118.95 115.84 1nqt s ARG 86 Ca -0.11 -1.00 0.00 0.00 -2.50 0.00 0.00 55.73 52.11 1nqt s ARG 86 Cb 0.25 -3.41 0.00 0.00 0.06 0.00 0.00 34.95 31.85 1nqt s ARG 86 CO 0.79 -0.54 0.00 0.25 -2.50 0.00 0.00 175.30 173.29 1nqt n THR 87 N 4.84 0.00 -1.28 4.11 -2.24 -1.24 -3.05 114.28 115.42 1nqt n THR 87 Ca -0.14 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.13 1nqt n THR 87 Cb 0.46 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 1nqt n THR 87 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1nqt n PRO 88 N 0.00 0.00 -2.93 -0.78 -0.02 -1.21 -4.43 135.00 125.63 1nqt n PRO 88 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1nqt n PRO 88 Cb 0.00 -1.16 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 1nqt n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqt s LYS 90 N -3.02 0.51 0.00 0.00 2.47 -0.41 0.42 119.74 119.71 1nqt s LYS 90 Ca 0.58 0.01 0.00 0.00 -1.56 0.00 0.00 55.97 55.00 1nqt s LYS 90 Cb -0.10 -0.63 0.00 0.00 -1.46 0.00 0.00 37.83 35.63 1nqt s LYS 90 CO 0.15 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 175.95 1nqt n GLY 91 N 4.14 2.15 3.70 5.54 0.00 -1.21 -2.78 105.19 116.72 1nqt n GLY 91 Ca -0.25 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1nqt n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqt s GLY 92 N 0.00 1.62 -0.05 -0.02 0.00 -1.26 -3.30 107.32 104.32 1nqt s GLY 92 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1nqt s GLY 92 CO 0.00 0.52 -0.03 -0.42 0.00 0.00 0.00 173.10 173.17 1nqt s ILE 93 N -2.86 3.98 -0.09 0.90 1.09 0.88 -1.05 121.20 124.04 1nqt s ILE 93 Ca 0.64 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.75 1nqt s ILE 93 Cb -0.19 -2.68 0.01 0.00 -1.06 0.00 0.00 42.46 38.54 1nqt s ILE 93 CO 0.58 0.54 -0.16 -0.60 -0.10 0.00 0.00 174.94 175.20 1nqt s ARG 94 N -1.04 2.20 -0.85 2.79 3.52 -0.36 -3.28 118.95 121.93 1nqt s ARG 94 Ca 0.15 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1nqt s ARG 94 Cb -0.11 -1.81 0.33 0.00 -1.56 0.00 0.00 34.95 31.80 1nqt s ARG 94 CO 0.04 0.00 1.57 0.66 -0.81 0.00 0.00 175.30 176.76 1nqt n TYR 95 N 3.98 3.19 -3.85 5.12 0.53 -1.26 -0.51 117.16 124.36 1nqt n TYR 95 Ca -0.20 -2.97 -0.15 0.00 -1.02 0.00 0.00 57.90 53.56 1nqt n TYR 95 Cb 0.52 -0.94 -0.16 0.00 -1.03 0.00 0.00 39.34 37.74 1nqt n TYR 95 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1nqt s SER 96 N -2.04 0.17 0.27 7.72 0.15 -1.05 -4.13 113.70 114.79 1nqt s SER 96 Ca 0.44 0.01 0.16 0.00 0.70 0.00 0.00 55.95 57.25 1nqt s SER 96 Cb 0.26 -0.10 0.54 0.00 -1.71 0.00 0.00 66.02 65.00 1nqt s SER 96 CO -0.17 -0.09 0.63 0.41 1.20 0.00 0.00 173.24 175.23 1nqt n THR 97 N 3.90 0.00 0.06 6.45 -1.04 -0.07 -0.54 114.28 123.03 1nqt n THR 97 Ca -0.24 0.61 0.02 0.00 -2.04 0.00 0.00 64.05 62.40 1nqt n THR 97 Cb 0.52 -1.07 0.19 0.00 -1.82 0.00 0.00 70.33 68.15 1nqt n THR 97 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1nqt n ASP 98 N -2.40 3.32 -4.82 8.00 5.68 -1.26 -4.81 116.55 120.26 1nqt n ASP 98 Ca 0.14 -2.49 -0.35 0.00 -0.50 0.00 0.00 54.79 51.58 1nqt n ASP 98 Cb 0.78 -0.60 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 1nqt n ASP 98 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1nqt s VAL 99 N -1.83 4.56 0.01 2.12 -7.23 0.30 -5.04 120.40 113.29 1nqt s VAL 99 Ca 0.27 1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 61.67 1nqt s VAL 99 Cb 0.21 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 1nqt s VAL 99 CO 0.07 0.09 0.01 -0.94 -0.31 0.00 0.00 175.10 174.03 1nqt s SER 100 N -1.82 0.12 0.60 4.85 1.04 -1.26 -4.91 113.70 112.32 1nqt s SER 100 Ca 0.47 -0.26 0.29 0.00 0.48 0.00 0.00 55.95 56.93 1nqt s SER 100 Cb -0.15 0.10 1.60 0.00 0.10 0.00 0.00 66.02 67.67 1nqt s SER 100 CO 0.20 -0.20 2.01 0.58 0.98 0.00 0.00 173.24 176.80 1nqt h VAL 101 N 4.77 0.36 0.13 5.02 2.07 -1.98 0.67 116.25 127.29 1nqt h VAL 101 Ca -0.29 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.95 1nqt h VAL 101 Cb 1.21 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1nqt h VAL 101 CO 0.44 0.00 -1.24 0.44 0.02 0.00 0.00 177.57 177.22 1nqt h ASP 102 N 0.00 0.60 0.33 0.57 5.19 -1.99 -2.87 116.42 118.25 1nqt h ASP 102 Ca 0.12 -0.60 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1nqt h ASP 102 Cb 0.76 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1nqt h ASP 102 CO -0.00 1.45 -0.16 -0.08 -3.12 0.00 0.00 179.24 177.33 1nqt h GLU 103 N 0.15 -0.43 0.04 3.56 4.81 -0.07 -0.65 114.58 121.99 1nqt h GLU 103 Ca -0.16 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1nqt h GLU 103 Cb 1.94 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1nqt h GLU 103 CO 0.22 -0.18 -0.11 -0.39 -0.73 0.00 0.00 179.01 177.82 1nqt h VAL 104 N -0.61 0.74 -0.96 0.32 -1.51 -1.53 0.15 116.25 112.85 1nqt h VAL 104 Ca -0.05 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.67 1nqt h VAL 104 Cb 0.44 0.74 -0.13 0.00 -2.13 0.00 0.00 31.29 30.22 1nqt h VAL 104 CO 0.07 0.00 0.50 0.50 -1.23 0.00 0.00 177.57 177.41 1nqt h LYS 105 N -0.20 0.45 0.28 5.19 3.64 -1.43 1.09 116.57 125.58 1nqt h LYS 105 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nqt h LYS 105 Cb 0.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1nqt h LYS 105 CO -0.08 0.30 -0.14 0.00 -2.27 0.00 0.00 179.45 177.26 1nqt h ALA 106 N 1.74 -0.95 -0.71 5.00 0.00 0.32 -1.52 119.26 123.13 1nqt h ALA 106 Ca 0.62 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.60 1nqt h ALA 106 Cb 1.22 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 1nqt h ALA 106 CO -0.52 -0.93 0.07 -0.07 0.00 0.00 0.00 179.25 177.80 1nqt h LEU 107 N -0.43 -0.19 -0.22 0.00 3.38 0.31 0.29 115.31 118.47 1nqt h LEU 107 Ca -0.04 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1nqt h LEU 107 Cb 0.29 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1nqt h LEU 107 CO 0.06 -0.11 -0.55 0.00 0.09 0.00 0.00 178.44 177.94 1nqt h ALA 108 N 1.63 -0.86 -0.95 1.53 0.00 0.12 0.42 119.26 121.16 1nqt h ALA 108 Ca 0.39 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.55 1nqt h ALA 108 Cb 0.67 1.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.35 1nqt h ALA 108 CO -0.57 -1.08 0.37 1.03 0.00 0.00 0.00 179.25 179.00 1nqt h SER 109 N -0.53 0.17 0.31 0.00 0.87 0.56 -0.62 113.55 114.31 1nqt h SER 109 Ca 0.05 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1nqt h SER 109 Cb 0.66 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1nqt h SER 109 CO -0.49 -0.20 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.38 1nqt h LEU 110 N 0.21 -0.40 -0.45 2.23 4.07 0.20 -3.23 115.31 117.93 1nqt h LEU 110 Ca 0.65 0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.74 1nqt h LEU 110 Cb 1.44 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 43.21 1nqt h LEU 110 CO -0.68 -0.27 -0.06 0.23 -1.08 0.00 0.00 178.44 176.59 1nqt n MET 111 N -3.24 -0.04 0.05 1.13 2.81 -0.26 0.58 117.12 118.16 1nqt n MET 111 Ca -0.05 0.69 -0.12 0.00 -1.81 0.00 0.00 57.70 56.41 1nqt n MET 111 Cb 0.17 -1.06 -0.05 0.00 -0.71 0.00 0.00 33.22 31.57 1nqt n MET 111 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1nqt h THR 112 N 0.00 0.26 -0.27 2.03 2.02 -1.51 0.14 112.91 115.58 1nqt h THR 112 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 1nqt h THR 112 Cb 0.44 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1nqt h THR 112 CO -0.45 0.00 0.09 1.88 0.37 0.00 0.00 175.52 177.41 1nqt h TYR 113 N -0.49 0.43 -0.61 3.16 0.05 0.05 -2.40 116.97 117.17 1nqt h TYR 113 Ca 0.06 -0.04 0.12 0.00 0.05 0.00 0.00 58.73 58.92 1nqt h TYR 113 Cb 0.58 -0.13 -0.10 0.00 1.01 0.00 0.00 36.73 38.10 1nqt h TYR 113 CO -0.37 0.47 0.05 -0.22 -1.05 0.00 0.00 178.16 177.03 1nqt h LYS 114 N 0.28 0.16 -0.56 4.88 3.64 -0.49 0.35 116.57 124.83 1nqt h LYS 114 Ca 0.09 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1nqt h LYS 114 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1nqt h LYS 114 CO -0.00 0.11 0.17 0.00 -2.27 0.00 0.00 179.45 177.46 1nqt h ALA 116 N 1.04 1.96 0.61 0.00 0.00 -0.48 0.79 119.26 123.17 1nqt h ALA 116 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nqt h ALA 116 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nqt h ALA 116 CO -0.00 -0.02 -0.31 0.28 0.00 0.00 0.00 179.25 179.20 1nqt h VAL 117 N 0.31 0.37 -0.65 0.00 2.07 -0.63 -3.02 116.25 114.70 1nqt h VAL 117 Ca 0.16 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.30 1nqt h VAL 117 Cb 0.24 0.37 -0.20 0.00 -1.52 0.00 0.00 31.29 30.19 1nqt h VAL 117 CO -0.03 0.00 0.49 1.33 0.02 0.00 0.00 177.57 179.37 1nqt n VAL 118 N -5.45 2.69 -2.65 2.57 0.24 -0.75 -4.72 118.33 110.26 1nqt n VAL 118 Ca -0.13 -1.58 -0.11 0.00 -2.04 0.00 0.00 64.34 60.48 1nqt n VAL 118 Cb 0.35 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.80 1nqt n VAL 118 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nqt n ASP 119 N -0.38 -0.98 -4.49 -1.34 8.00 -0.08 -4.85 116.55 112.42 1nqt n ASP 119 Ca 0.40 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.38 1nqt n ASP 119 Cb 1.01 -0.92 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 1nqt n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nqt s VAL 120 N -1.94 4.73 0.00 2.53 1.01 0.08 -4.98 120.40 121.82 1nqt s VAL 120 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1nqt s VAL 120 Cb -0.13 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1nqt s VAL 120 CO 0.27 -0.81 0.04 -0.81 0.00 0.00 0.00 175.10 173.79 1nqt n PRO 121 N 6.55 0.02 -4.30 2.72 -0.04 -1.26 -4.38 135.00 134.31 1nqt n PRO 121 Ca -0.02 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.17 1nqt n PRO 121 Cb 0.47 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1nqt n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nqt s PHE 122 N 1.89 2.38 -0.08 0.54 2.99 -1.26 -4.48 117.98 119.95 1nqt s PHE 122 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 56.93 56.26 1nqt s PHE 122 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 43.02 41.13 1nqt s PHE 122 CO 0.00 0.18 -0.12 0.20 -0.00 0.00 0.00 175.22 175.48 1nqt s GLY 123 N -3.90 1.57 0.21 4.36 0.00 -0.49 -4.71 107.32 104.36 1nqt s GLY 123 Ca 0.34 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 1nqt s GLY 123 CO 0.19 -0.53 0.98 0.61 0.00 0.00 0.00 173.10 174.34 1nqt n GLY 124 N 2.75 -0.44 3.53 0.20 0.00 -1.26 -1.29 105.19 108.68 1nqt n GLY 124 Ca -0.18 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1nqt n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 125 N -0.65 -1.12 -0.29 4.61 0.00 -1.12 0.21 121.76 123.39 1nqt s ALA 125 Ca 0.67 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 1nqt s ALA 125 Cb -0.84 0.85 0.18 0.00 0.00 0.00 0.00 23.12 23.32 1nqt s ALA 125 CO 0.56 -0.82 1.23 0.21 0.00 0.00 0.00 175.76 176.94 1nqt s LYS 126 N -3.85 0.17 0.29 0.00 2.47 -0.12 -3.94 119.74 114.77 1nqt s LYS 126 Ca 0.07 0.25 0.09 0.00 -1.56 0.00 0.00 55.97 54.83 1nqt s LYS 126 Cb -0.01 0.06 -0.06 0.00 -1.46 0.00 0.00 37.83 36.36 1nqt s LYS 126 CO -0.04 -0.03 -0.12 0.00 0.16 0.00 0.00 175.35 175.32 1nqt s ALA 127 N 0.69 2.60 -0.06 3.13 0.00 -0.22 -1.11 121.76 126.80 1nqt s ALA 127 Ca -0.02 -1.93 -0.12 0.00 0.00 0.00 0.00 51.96 49.89 1nqt s ALA 127 Cb -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1nqt s ALA 127 CO -0.12 0.08 0.29 0.20 0.00 0.00 0.00 175.76 176.21 1nqt s GLY 128 N -3.50 -0.17 -0.17 0.00 0.00 0.26 -1.22 107.32 102.53 1nqt s GLY 128 Ca 0.30 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1nqt s GLY 128 CO 0.13 0.36 -0.14 0.14 0.00 0.00 0.00 173.10 173.60 1nqt s VAL 129 N -0.64 1.68 -0.69 1.40 1.01 0.33 -0.17 120.40 123.33 1nqt s VAL 129 Ca -0.07 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1nqt s VAL 129 Cb -0.04 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1nqt s VAL 129 CO 0.02 0.41 1.77 -0.54 0.00 0.00 0.00 175.10 176.76 1nqt s LYS 130 N 1.43 2.73 0.00 2.72 1.02 0.78 -2.76 119.74 125.67 1nqt s LYS 130 Ca 0.03 0.29 -0.28 0.00 0.02 0.00 0.00 55.97 56.03 1nqt s LYS 130 Cb -0.14 -4.49 0.10 0.00 -0.52 0.00 0.00 37.83 32.79 1nqt s LYS 130 CO -0.11 -2.72 0.86 -1.50 -0.92 0.00 0.00 175.35 170.96 1nqt s ILE 131 N 8.59 0.00 -0.30 2.17 2.07 -1.26 -4.41 121.20 128.05 1nqt s ILE 131 Ca 0.62 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 1nqt s ILE 131 Cb -0.11 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.58 1nqt s ILE 131 CO 0.16 0.00 0.06 0.21 -1.91 0.00 0.00 174.94 173.46 1nqt s ASN 132 N -2.39 4.16 0.50 4.50 3.84 -1.26 -0.89 114.94 123.39 1nqt s ASN 132 Ca 0.04 -1.68 0.35 0.00 0.21 0.00 0.00 52.86 51.77 1nqt s ASN 132 Cb -0.01 -1.09 1.20 0.00 -0.55 0.00 0.00 41.25 40.80 1nqt s ASN 132 CO -0.08 -0.38 1.26 -2.65 -2.79 0.00 0.00 177.10 172.45 1nqt n PRO 133 N 4.68 0.01 -0.03 0.43 -0.02 -1.26 -0.12 135.00 138.68 1nqt n PRO 133 Ca -0.02 0.92 0.01 0.00 -2.02 0.00 0.00 63.50 62.38 1nqt n PRO 133 Cb 0.42 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1nqt n PRO 133 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nqt n LYS 134 N -3.37 1.14 0.00 -0.52 4.76 -1.26 -2.13 118.16 116.78 1nqt n LYS 134 Ca 0.31 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1nqt n LYS 134 Cb 1.58 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 1nqt n LYS 134 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nqt n ASN 135 N -0.24 0.53 -4.31 4.39 3.02 0.83 -5.04 115.26 114.44 1nqt n ASN 135 Ca 0.02 -0.81 -0.31 0.00 -0.03 0.00 0.00 54.58 53.45 1nqt n ASN 135 Cb 0.12 0.24 -0.16 0.00 -0.61 0.00 0.00 39.78 39.37 1nqt n ASN 135 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nqt s TYR 136 N -0.24 2.29 0.63 3.10 2.02 -0.91 -5.08 117.35 119.17 1nqt s TYR 136 Ca 0.00 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 1nqt s TYR 136 Cb 0.00 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1nqt s TYR 136 CO 0.00 -0.00 1.10 0.95 -1.57 0.00 0.00 175.55 176.02 1nqt s THR 137 N -0.65 3.40 -1.13 -0.71 -4.23 -1.26 -4.66 115.64 106.41 1nqt s THR 137 Ca 0.10 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1nqt s THR 137 Cb -0.10 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1nqt s THR 137 CO -0.00 -0.39 0.80 0.47 -0.54 0.00 0.00 174.62 174.96 1nqt n ASP 138 N -2.23 0.00 -0.11 3.99 9.92 -1.26 -0.11 116.55 126.75 1nqt n ASP 138 Ca 0.10 0.31 -0.17 0.00 -0.53 0.00 0.00 54.79 54.51 1nqt n ASP 138 Cb 0.52 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.56 1nqt n ASP 138 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1nqt n ASN 139 N -1.30 1.60 0.20 -2.24 2.85 -1.26 -3.89 115.26 111.23 1nqt n ASN 139 Ca 0.00 -0.08 -0.14 0.00 -0.11 0.00 0.00 54.58 54.25 1nqt n ASN 139 Cb 0.04 -0.18 -0.08 0.00 1.24 0.00 0.00 39.78 40.81 1nqt n ASN 139 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1nqt h GLU 140 N 0.01 -0.51 -1.51 1.20 5.08 -0.89 -1.30 114.58 116.66 1nqt h GLU 140 Ca -0.56 0.03 0.44 0.00 -1.00 0.00 0.00 59.36 58.28 1nqt h GLU 140 Cb 1.98 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 31.27 1nqt h GLU 140 CO -0.05 -0.21 1.07 -0.07 -1.00 0.00 0.00 179.01 178.75 1nqt h LEU 141 N -0.83 0.05 0.01 1.33 3.38 -0.72 0.22 115.31 118.75 1nqt h LEU 141 Ca -0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nqt h LEU 141 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1nqt h LEU 141 CO 0.09 -0.01 -0.00 -0.08 0.09 0.00 0.00 178.44 178.52 1nqt h GLU 142 N 0.03 -0.01 -0.90 1.13 4.81 -1.59 -2.50 114.58 115.54 1nqt h GLU 142 Ca 0.74 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 60.15 1nqt h GLU 142 Cb 2.86 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 32.07 1nqt h GLU 142 CO -0.06 0.73 -0.24 0.87 -0.73 0.00 0.00 179.01 179.58 1nqt h LYS 143 N -0.98 -0.00 0.00 1.92 1.57 0.55 -1.39 116.57 118.23 1nqt h LYS 143 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nqt h LYS 143 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1nqt h LYS 143 CO 0.00 -0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 177.99 1nqt n ILE 144 N -5.57 0.00 0.22 1.86 5.41 -0.30 -2.14 119.36 118.84 1nqt n ILE 144 Ca 0.13 1.29 0.06 0.00 1.00 0.00 0.00 62.75 65.23 1nqt n ILE 144 Cb 0.45 -2.16 0.34 0.00 -0.71 0.00 0.00 39.64 37.57 1nqt n ILE 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nqt h THR 145 N 0.00 0.00 0.00 1.39 1.03 -0.94 -0.39 112.91 114.01 1nqt h THR 145 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1nqt h THR 145 Cb 0.00 0.28 0.00 0.00 -1.07 0.00 0.00 68.15 67.36 1nqt h THR 145 CO 0.00 0.00 -0.03 0.03 -0.01 0.00 0.00 175.52 175.51 1nqt h ARG 146 N 0.00 0.00 -1.10 0.00 3.08 -1.07 -3.04 114.38 112.25 1nqt h ARG 146 Ca 0.00 0.00 0.43 0.00 0.07 0.00 0.00 59.98 60.48 1nqt h ARG 146 Cb 0.94 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.83 1nqt h ARG 146 CO 0.00 0.00 0.63 -2.13 -1.07 0.00 0.00 179.97 177.40 1nqt n ARG 147 N -2.63 -0.05 -0.18 0.04 3.00 -0.56 0.41 116.66 116.69 1nqt n ARG 147 Ca -0.00 1.33 -0.08 0.00 -0.00 0.00 0.00 57.85 59.09 1nqt n ARG 147 Cb 0.02 -2.45 0.02 0.00 0.00 0.00 0.00 32.46 30.05 1nqt n ARG 147 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1nqt h PHE 148 N 0.00 0.75 -0.28 -0.14 3.57 -1.25 -2.08 116.94 117.51 1nqt h PHE 148 Ca 0.85 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.31 1nqt h PHE 148 Cb 2.39 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.89 1nqt h PHE 148 CO -0.01 0.59 0.18 1.15 -2.23 0.00 0.00 178.31 178.00 1nqt h THR 149 N 0.69 1.08 -0.45 4.41 2.02 0.83 0.78 112.91 122.27 1nqt h THR 149 Ca 0.18 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1nqt h THR 149 Cb 0.13 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1nqt h THR 149 CO -0.02 0.08 0.10 0.24 0.37 0.00 0.00 175.52 176.29 1nqt h MET 150 N 0.38 0.23 -0.16 6.66 2.86 -0.70 0.30 114.93 124.50 1nqt h MET 150 Ca 0.10 -0.01 -0.21 0.00 -2.06 0.00 0.00 59.70 57.52 1nqt h MET 150 Cb -0.03 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.58 1nqt h MET 150 CO -0.02 0.15 -0.74 0.93 1.06 0.00 0.00 176.91 178.29 1nqt h GLU 151 N 0.24 0.74 0.00 1.72 4.39 -1.20 -0.75 114.58 119.71 1nqt h GLU 151 Ca 0.22 -0.58 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1nqt h GLU 151 Cb 0.27 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1nqt h GLU 151 CO -0.28 1.20 -0.10 1.25 -1.16 0.00 0.00 179.01 179.92 1nqt h LEU 152 N 0.51 0.00 0.11 1.33 5.85 -0.43 -2.74 115.31 119.94 1nqt h LEU 152 Ca -0.04 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.35 1nqt h LEU 152 Cb 1.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1nqt h LEU 152 CO 0.15 0.10 -1.80 0.00 -0.34 0.00 0.00 178.44 176.55 1nqt h ALA 153 N 1.90 0.36 0.00 1.25 0.00 -0.11 0.31 119.26 122.97 1nqt h ALA 153 Ca -0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1nqt h ALA 153 Cb 0.25 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nqt h ALA 153 CO 0.01 1.14 0.00 1.63 0.00 0.00 0.00 179.25 182.03 1nqt n LYS 154 N -3.70 0.37 -0.20 0.00 5.02 -0.32 -2.53 118.16 116.80 1nqt n LYS 154 Ca -0.31 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.00 1nqt n LYS 154 Cb 0.97 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 1nqt n LYS 154 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nqt n LYS 155 N -0.89 0.62 -2.34 1.97 4.76 -1.05 -5.02 118.16 116.21 1nqt n LYS 155 Ca 0.07 -1.17 -0.04 0.00 -2.87 0.00 0.00 58.31 54.29 1nqt n LYS 155 Cb 0.03 -0.73 0.01 0.00 -1.84 0.00 0.00 35.03 32.49 1nqt n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqt n GLY 156 N -0.30 0.38 0.07 0.72 0.00 -1.05 -4.97 105.19 100.04 1nqt n GLY 156 Ca 0.03 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.51 1nqt n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nqt n PHE 157 N -3.60 0.00 -3.54 1.61 3.72 0.11 -4.70 117.46 111.06 1nqt n PHE 157 Ca -0.03 -0.94 0.00 0.00 -0.05 0.00 0.00 57.45 56.43 1nqt n PHE 157 Cb 0.53 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 1nqt n PHE 157 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1nqt s ILE 158 N -2.67 -0.85 0.00 4.37 1.10 -1.07 -4.70 121.20 117.37 1nqt s ILE 158 Ca 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.43 1nqt s ILE 158 Cb 0.25 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.86 1nqt s ILE 158 CO 0.03 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.47 1nqt n GLY 159 N 5.32 1.45 0.36 1.50 0.00 0.06 -4.59 105.19 109.29 1nqt n GLY 159 Ca -0.10 0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.13 1nqt n GLY 159 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt h PRO 160 N 0.00 0.00 -0.01 1.61 0.13 -1.80 -0.45 132.00 131.48 1nqt h PRO 160 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nqt h PRO 160 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nqt h PRO 160 CO 0.00 0.00 -0.11 0.41 -0.23 0.00 0.00 178.00 178.07 1nqt n GLY 161 N -1.54 -0.27 0.00 1.56 0.00 -1.26 -4.85 105.19 98.83 1nqt n GLY 161 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1nqt n GLY 161 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqt n ILE 162 N 0.16 0.00 -3.91 -0.61 5.41 -0.25 -3.75 119.36 116.41 1nqt n ILE 162 Ca 0.05 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.45 1nqt n ILE 162 Cb 0.24 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.03 1nqt n ILE 162 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1nqt s ASP 163 N -0.34 4.38 -0.58 4.38 -1.08 -0.79 0.18 116.67 122.81 1nqt s ASP 163 Ca 0.00 -0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 51.31 1nqt s ASP 163 Cb 0.00 -1.73 0.15 0.00 -1.46 0.00 0.00 42.92 39.88 1nqt s ASP 163 CO 0.00 -0.08 0.49 -0.69 0.52 0.00 0.00 175.17 175.41 1nqt s VAL 164 N 1.43 4.76 0.70 1.11 1.01 0.17 -0.76 120.40 128.81 1nqt s VAL 164 Ca 0.04 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 59.94 1nqt s VAL 164 Cb -0.15 -4.06 0.18 0.00 0.00 0.00 0.00 36.38 32.35 1nqt s VAL 164 CO -0.03 -0.87 0.40 -2.65 0.00 0.00 0.00 175.10 171.95 1nqt n PRO 165 N 4.68 -3.03 -3.72 2.72 -0.02 -1.19 -3.34 135.00 131.10 1nqt n PRO 165 Ca -0.04 -0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 60.75 1nqt n PRO 165 Cb 0.41 -0.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 1nqt n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqt s ALA 166 N -2.05 -1.82 0.66 3.55 0.00 -1.21 -2.34 121.76 118.56 1nqt s ALA 166 Ca 0.31 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 1nqt s ALA 166 Cb -0.05 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1nqt s ALA 166 CO 0.26 -1.05 1.02 -1.25 0.00 0.00 0.00 175.76 174.74 1nqt s PRO 167 N -3.02 2.90 -0.35 0.00 0.04 -1.26 -0.08 135.00 133.23 1nqt s PRO 167 Ca 0.13 0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.52 1nqt s PRO 167 Cb 0.00 -2.12 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1nqt s PRO 167 CO 0.01 -0.89 0.63 0.34 0.04 0.00 0.00 177.00 177.13 1nqt s ASP 168 N -4.33 -1.52 0.00 6.66 2.15 -1.20 -4.54 116.67 113.88 1nqt s ASP 168 Ca 0.56 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1nqt s ASP 168 Cb -0.11 1.94 0.00 0.00 -0.30 0.00 0.00 42.92 44.45 1nqt s ASP 168 CO 0.49 -0.23 0.00 0.23 -0.17 0.00 0.00 175.17 175.50 1nqt n MET 169 N 4.89 0.00 -0.00 4.34 2.81 -1.26 -3.47 117.12 124.43 1nqt n MET 169 Ca 0.08 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.12 1nqt n MET 169 Cb 0.56 0.00 0.86 0.00 -0.71 0.00 0.00 33.22 33.93 1nqt n MET 169 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1nqt n SER 170 N 0.00 0.28 -4.10 7.83 3.41 -1.26 -4.84 113.62 114.94 1nqt n SER 170 Ca 0.00 -1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 57.43 1nqt n SER 170 Cb 0.00 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1nqt n SER 170 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nqt s THR 171 N -2.00 0.32 0.03 6.66 -4.23 -1.23 -4.57 115.64 110.62 1nqt s THR 171 Ca 0.46 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1nqt s THR 171 Cb 0.22 -1.43 -0.00 0.00 1.34 0.00 0.00 72.50 72.62 1nqt s THR 171 CO 0.36 -0.92 0.01 0.61 -0.54 0.00 0.00 174.62 174.14 1nqt n GLY 172 N 0.23 4.01 0.44 3.99 0.00 -1.26 -3.92 105.19 108.68 1nqt n GLY 172 Ca -0.15 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1nqt n GLY 172 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nqt h GLU 173 N 0.00 -0.60 -0.17 1.61 4.11 -1.97 -2.11 114.58 115.44 1nqt h GLU 173 Ca -0.02 0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.46 1nqt h GLU 173 Cb 0.09 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1nqt h GLU 173 CO 0.03 -0.40 -0.10 2.89 0.07 0.00 0.00 179.01 181.50 1nqt n ARG 174 N -5.46 -0.08 0.03 1.06 1.85 -1.26 0.75 116.66 113.55 1nqt n ARG 174 Ca -0.06 0.34 -0.02 0.00 -1.00 0.00 0.00 57.85 57.11 1nqt n ARG 174 Cb 0.39 -0.50 -0.01 0.00 -1.05 0.00 0.00 32.46 31.28 1nqt n ARG 174 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1nqt h GLU 175 N 0.00 -0.09 -0.52 2.89 3.07 -1.80 -2.16 114.58 115.97 1nqt h GLU 175 Ca 0.03 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1nqt h GLU 175 Cb 0.07 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.92 1nqt h GLU 175 CO -0.16 -0.06 -0.23 -1.33 -1.40 0.00 0.00 179.01 175.82 1nqt n MET 176 N -2.46 -0.15 -0.35 2.33 2.81 0.17 0.34 117.12 119.80 1nqt n MET 176 Ca -0.01 0.80 0.12 0.00 -1.81 0.00 0.00 57.70 56.80 1nqt n MET 176 Cb 0.04 -1.19 0.31 0.00 -0.71 0.00 0.00 33.22 31.68 1nqt n MET 176 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1nqt h SER 177 N 0.00 0.80 0.05 7.83 0.87 0.63 0.30 113.55 124.02 1nqt h SER 177 Ca 0.15 0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 1nqt h SER 177 Cb 0.28 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1nqt h SER 177 CO -0.51 0.31 -0.55 -0.50 -0.53 0.00 0.00 176.83 175.05 1nqt h TRP 178 N 0.79 0.66 0.03 2.24 6.55 0.63 -0.97 115.95 125.88 1nqt h TRP 178 Ca 0.56 -0.23 -0.00 0.00 0.95 0.00 0.00 58.89 60.17 1nqt h TRP 178 Cb 0.84 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 29.02 1nqt h TRP 178 CO -0.00 0.95 -0.01 0.82 -1.05 0.00 0.00 178.44 179.15 1nqt h ILE 179 N 0.41 0.00 -0.85 1.49 2.04 0.45 -0.34 117.51 120.70 1nqt h ILE 179 Ca 0.01 -0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.04 1nqt h ILE 179 Cb 1.08 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.00 1nqt h ILE 179 CO 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 178.05 1nqt n ALA 180 N -2.02 0.21 0.09 1.87 0.00 0.88 0.11 120.51 121.65 1nqt n ALA 180 Ca -0.00 0.93 -0.04 0.00 0.00 0.00 0.00 53.44 54.32 1nqt n ALA 180 Cb 0.01 -0.56 0.14 0.00 0.00 0.00 0.00 19.45 19.05 1nqt n ALA 180 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nqt h ASP 181 N 0.00 0.26 0.18 0.00 1.82 -1.11 -1.88 116.42 115.68 1nqt h ASP 181 Ca 0.41 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.90 1nqt h ASP 181 Cb 0.64 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1nqt h ASP 181 CO -0.87 0.77 -0.09 0.74 -1.61 0.00 0.00 179.24 178.18 1nqt h THR 182 N 0.18 0.90 -0.05 2.25 2.02 0.15 -1.77 112.91 116.60 1nqt h THR 182 Ca -0.00 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1nqt h THR 182 Cb 1.04 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1nqt h THR 182 CO 0.09 0.09 -0.27 0.22 0.37 0.00 0.00 175.52 176.01 1nqt h TYR 183 N -0.43 -0.74 0.00 3.16 3.20 -1.43 -0.31 116.97 120.42 1nqt h TYR 183 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nqt h TYR 183 Cb 0.34 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1nqt h TYR 183 CO -0.01 -0.36 0.00 0.00 -1.64 0.00 0.00 178.16 176.15 1nqt n ALA 184 N -2.72 1.37 0.27 1.82 0.00 -0.71 -0.29 120.51 120.25 1nqt n ALA 184 Ca -0.04 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1nqt n ALA 184 Cb 0.30 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 1nqt n ALA 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nqt n SER 185 N -1.60 1.23 0.00 0.00 2.88 -0.52 -4.00 113.62 111.62 1nqt n SER 185 Ca 0.02 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1nqt n SER 185 Cb 0.10 1.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1nqt n SER 185 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nqt n THR 186 N -1.74 0.00 -0.01 2.46 -2.24 -0.24 -4.76 114.28 107.75 1nqt n THR 186 Ca -0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1nqt n THR 186 Cb 0.32 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 1nqt n THR 186 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nqt h ILE 187 N 0.00 0.48 -0.06 2.28 1.08 -1.80 -1.89 117.51 117.60 1nqt h ILE 187 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1nqt h ILE 187 Cb 0.00 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1nqt h ILE 187 CO 0.00 0.00 0.03 0.61 -0.69 0.00 0.00 178.15 178.10 1nqt n GLY 188 N -1.35 1.97 0.37 5.37 0.00 0.61 -4.36 105.19 107.80 1nqt n GLY 188 Ca -0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1nqt n GLY 188 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nqt h HIS 189 N 0.14 -1.07 -1.06 1.61 6.17 -1.45 -2.66 115.15 116.83 1nqt h HIS 189 Ca 0.03 0.05 -0.52 0.00 0.71 0.00 0.00 60.37 60.64 1nqt h HIS 189 Cb 0.94 0.50 -0.20 0.00 2.52 0.00 0.00 27.41 31.17 1nqt h HIS 189 CO 0.10 -0.43 0.56 0.66 0.71 0.00 0.00 177.93 179.53 1nqt n TYR 190 N -5.42 2.00 -4.73 5.26 4.02 -1.26 -4.84 117.16 112.18 1nqt n TYR 190 Ca -0.02 -2.14 -0.33 0.00 -0.01 0.00 0.00 57.90 55.40 1nqt n TYR 190 Cb 0.35 -1.26 -0.16 0.00 -0.02 0.00 0.00 39.34 38.25 1nqt n TYR 190 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nqt s ASP 191 N -0.18 3.48 0.00 7.72 3.68 -1.01 -4.94 116.67 125.43 1nqt s ASP 191 Ca 0.52 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.70 1nqt s ASP 191 Cb 0.37 -1.51 0.00 0.00 -1.45 0.00 0.00 42.92 40.33 1nqt s ASP 191 CO -0.18 0.11 0.84 0.00 0.13 0.00 0.00 175.17 176.07 1nqt n ILE 192 N 3.88 0.00 -1.60 4.11 3.06 -1.26 -2.71 119.36 124.84 1nqt n ILE 192 Ca -0.19 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.07 1nqt n ILE 192 Cb 0.52 -0.13 0.02 0.00 0.54 0.00 0.00 39.64 40.59 1nqt n ILE 192 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nqt n ASN 193 N -0.38 0.43 -0.31 9.51 3.02 -1.26 -4.86 115.26 121.41 1nqt n ASN 193 Ca 0.00 -1.98 0.15 0.00 -0.03 0.00 0.00 54.58 52.72 1nqt n ASN 193 Cb 0.05 -0.19 0.33 0.00 -0.61 0.00 0.00 39.78 39.36 1nqt n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nqt h ALA 194 N 0.00 1.44 0.00 5.41 0.00 -1.79 0.53 119.26 124.85 1nqt h ALA 194 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nqt h ALA 194 Cb 1.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1nqt h ALA 194 CO 0.00 -0.44 0.00 0.72 0.00 0.00 0.00 179.25 179.53 1nqt n HIS 195 N -5.14 0.00 1.25 0.00 8.25 -1.26 -0.20 115.22 118.12 1nqt n HIS 195 Ca 0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.83 1nqt n HIS 195 Cb 0.72 -0.07 0.48 0.00 1.12 0.00 0.00 29.99 32.25 1nqt n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nqt n ALA 196 N -1.07 2.95 -0.23 -1.41 0.00 0.19 -4.14 120.51 116.81 1nqt n ALA 196 Ca 0.08 -0.30 0.21 0.00 0.00 0.00 0.00 53.44 53.42 1nqt n ALA 196 Cb 0.05 -1.25 0.56 0.00 0.00 0.00 0.00 19.45 18.81 1nqt n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt s VAL 198 N -5.32 0.11 0.44 0.00 0.11 -1.26 -3.17 120.40 111.31 1nqt s VAL 198 Ca -0.07 -0.92 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1nqt s VAL 198 Cb 0.22 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1nqt s VAL 198 CO 0.78 -0.51 0.03 0.42 -3.33 0.00 0.00 175.10 172.49 1nqt s THR 199 N -2.60 1.78 0.00 5.04 -4.23 -0.99 -4.73 115.64 109.91 1nqt s THR 199 Ca -0.05 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1nqt s THR 199 Cb -0.01 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1nqt s THR 199 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1nqt n GLY 200 N -1.10 0.64 3.91 3.99 0.00 -1.26 -4.30 105.19 107.08 1nqt n GLY 200 Ca -0.09 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1nqt n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqt s LYS 201 N -0.70 3.31 0.52 1.61 -2.85 -1.26 -4.20 119.74 116.16 1nqt s LYS 201 Ca 0.00 0.09 -0.22 0.00 -1.00 0.00 0.00 55.97 54.85 1nqt s LYS 201 Cb 0.00 -2.35 -0.07 0.00 -2.06 0.00 0.00 37.83 33.35 1nqt s LYS 201 CO 0.00 -0.38 1.12 -2.30 0.10 0.00 0.00 175.35 173.90 1nqt n PRO 202 N -2.36 1.37 -0.25 1.78 -0.02 -1.26 -3.41 135.00 130.85 1nqt n PRO 202 Ca 0.02 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1nqt n PRO 202 Cb 0.56 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.88 1nqt n PRO 202 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1nqt h ILE 203 N 1.24 0.96 -0.95 4.25 1.08 -1.92 0.27 117.51 122.44 1nqt h ILE 203 Ca -0.48 -0.25 0.20 0.00 -0.39 0.00 0.00 64.86 63.94 1nqt h ILE 203 Cb 1.33 0.17 -0.11 0.00 -3.07 0.00 0.00 36.82 35.14 1nqt h ILE 203 CO 0.55 0.13 0.53 0.77 -0.69 0.00 0.00 178.15 179.45 1nqt h SER 204 N 0.73 0.63 -0.81 1.72 4.64 -1.91 0.73 113.55 119.29 1nqt h SER 204 Ca 0.33 0.11 -0.41 0.00 -0.47 0.00 0.00 61.79 61.35 1nqt h SER 204 Cb 0.22 0.01 -0.24 0.00 -0.31 0.00 0.00 62.40 62.08 1nqt h SER 204 CO -0.20 0.18 0.52 0.00 -0.87 0.00 0.00 176.83 176.47 1nqt n GLN 205 N -4.86 2.16 -0.50 4.77 1.13 0.12 -4.89 117.38 115.30 1nqt n GLN 205 Ca 0.22 -2.51 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 1nqt n GLN 205 Cb 0.59 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1nqt n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nqt n GLY 206 N -0.80 0.70 3.82 1.08 0.00 0.24 -4.68 105.19 105.55 1nqt n GLY 206 Ca 0.48 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1nqt n GLY 206 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqt s GLY 207 N -2.44 1.63 -0.10 -0.02 0.00 0.73 -4.76 107.32 102.37 1nqt s GLY 207 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.52 1nqt s GLY 207 CO 0.00 0.24 0.11 -1.50 0.00 0.00 0.00 173.10 171.94 1nqt s ILE 208 N -3.15 5.17 0.15 0.90 2.07 -1.26 -4.55 121.20 120.53 1nqt s ILE 208 Ca 0.60 0.04 -0.31 0.00 -1.41 0.00 0.00 60.65 59.57 1nqt s ILE 208 Cb -0.14 -3.25 -0.08 0.00 0.13 0.00 0.00 42.46 39.11 1nqt s ILE 208 CO 0.54 0.58 1.37 -1.00 -1.91 0.00 0.00 174.94 174.52 1nqt s HIS 209 N -1.03 3.23 0.00 3.50 3.76 -1.26 -3.22 115.29 120.28 1nqt s HIS 209 Ca 0.16 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 1nqt s HIS 209 Cb -0.12 -3.67 0.00 0.00 1.11 0.00 0.00 32.58 29.91 1nqt s HIS 209 CO 0.05 -2.24 0.00 0.41 -0.85 0.00 0.00 174.74 172.11 1nqt n GLY 210 N 3.05 1.64 0.08 -2.22 0.00 -1.26 -4.07 105.19 102.42 1nqt n GLY 210 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1nqt n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 211 N 0.00 -0.05 -0.66 1.61 2.43 -1.99 -3.22 114.38 112.50 1nqt h ARG 211 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1nqt h ARG 211 Cb 0.15 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 1nqt h ARG 211 CO 0.00 0.27 -0.39 0.44 -1.51 0.00 0.00 179.97 178.78 1nqt n ILE 212 N -4.77 -0.45 -0.21 1.20 -6.64 -1.26 -1.07 119.36 106.16 1nqt n ILE 212 Ca -0.04 1.94 -0.06 0.00 -1.77 0.00 0.00 62.75 62.82 1nqt n ILE 212 Cb 0.17 -2.44 0.08 0.00 -1.44 0.00 0.00 39.64 36.02 1nqt n ILE 212 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1nqt h SER 213 N 0.00 0.99 0.00 7.28 4.64 -2.00 -3.39 113.55 121.06 1nqt h SER 213 Ca 0.10 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1nqt h SER 213 Cb 0.27 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1nqt h SER 213 CO -0.62 0.97 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1nqt n ALA 214 N -2.46 0.00 -0.27 5.18 0.00 -0.23 0.72 120.51 123.45 1nqt n ALA 214 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1nqt n ALA 214 Cb 0.27 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.76 1nqt n ALA 214 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nqt h THR 215 N 0.00 0.13 -0.05 0.00 2.02 -1.76 0.11 112.91 113.36 1nqt h THR 215 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1nqt h THR 215 Cb 0.00 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.49 1nqt h THR 215 CO 0.00 0.00 -0.30 1.23 0.37 0.00 0.00 175.52 176.82 1nqt h GLY 216 N -0.09 -0.45 0.85 2.16 0.00 0.05 -0.23 103.07 105.37 1nqt h GLY 216 Ca 0.30 0.36 0.07 0.00 0.00 0.00 0.00 47.33 48.06 1nqt h GLY 216 CO -0.79 -0.22 0.56 3.21 0.00 0.00 0.00 176.54 179.29 1nqt h ARG 217 N -0.42 0.90 0.05 4.80 3.08 0.01 -1.55 114.38 121.24 1nqt h ARG 217 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nqt h ARG 217 Cb 0.53 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1nqt h ARG 217 CO -0.29 0.59 -0.21 0.78 -1.07 0.00 0.00 179.97 179.78 1nqt h GLY 218 N 0.93 -1.20 -0.88 0.04 0.00 0.66 0.16 103.07 102.77 1nqt h GLY 218 Ca 0.38 0.58 0.18 0.00 0.00 0.00 0.00 47.33 48.47 1nqt h GLY 218 CO -0.15 -0.39 -0.25 -0.24 0.00 0.00 0.00 176.54 175.52 1nqt h VAL 219 N -0.30 0.06 0.00 4.60 3.04 -0.37 0.12 116.25 123.39 1nqt h VAL 219 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1nqt h VAL 219 Cb 0.30 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1nqt h VAL 219 CO -0.11 0.00 0.00 0.33 -1.01 0.00 0.00 177.57 176.78 1nqt n PHE 220 N -5.59 0.00 -0.14 3.17 -0.00 -0.36 -2.18 117.46 112.36 1nqt n PHE 220 Ca 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.72 1nqt n PHE 220 Cb 0.46 0.00 0.24 0.00 -0.00 0.00 0.00 39.48 40.19 1nqt n PHE 220 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1nqt n HIS 221 N -0.02 0.49 0.00 -5.13 8.25 -0.10 0.35 115.22 119.05 1nqt n HIS 221 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1nqt n HIS 221 Cb 0.00 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.16 1nqt n HIS 221 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqt n GLY 222 N -1.11 -2.76 0.09 -1.41 0.00 0.29 -0.68 105.19 99.61 1nqt n GLY 222 Ca 0.16 0.23 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 1nqt n GLY 222 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nqt h ILE 223 N 0.00 0.00 -0.49 -0.61 2.04 0.38 -1.48 117.51 117.35 1nqt h ILE 223 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1nqt h ILE 223 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1nqt h ILE 223 CO 0.00 0.00 0.91 -0.08 0.00 0.00 0.00 178.15 178.98 1nqt h GLU 224 N -0.05 0.00 0.01 2.37 4.81 -1.32 0.49 114.58 120.89 1nqt h GLU 224 Ca 0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 1nqt h GLU 224 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1nqt h GLU 224 CO -0.15 0.00 -1.15 -0.97 -0.73 0.00 0.00 179.01 176.01 1nqt h ASN 225 N 0.00 0.02 0.00 1.04 -0.73 0.21 -3.34 115.58 112.78 1nqt h ASN 225 Ca 0.23 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1nqt h ASN 225 Cb 2.05 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 40.63 1nqt h ASN 225 CO -0.00 1.02 -0.18 -0.26 -0.37 0.00 0.00 177.43 177.64 1nqt h PHE 226 N 0.00 0.00 0.00 0.67 -1.00 -0.04 -3.31 116.94 113.26 1nqt h PHE 226 Ca -0.07 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1nqt h PHE 226 Cb 1.83 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.39 1nqt h PHE 226 CO 0.00 0.45 0.03 1.51 -1.61 0.00 0.00 178.31 178.69 1nqt n ILE 227 N -4.67 0.21 -0.64 -0.55 3.06 -0.19 0.29 119.36 116.86 1nqt n ILE 227 Ca -0.07 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1nqt n ILE 227 Cb 0.25 -1.09 0.00 0.00 0.54 0.00 0.00 39.64 39.34 1nqt n ILE 227 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1nqt n ASN 228 N 2.02 0.00 -4.56 9.51 2.85 -1.25 -4.87 115.26 118.96 1nqt n ASN 228 Ca 0.00 -0.01 -0.41 0.00 -0.11 0.00 0.00 54.58 54.05 1nqt n ASN 228 Cb 0.05 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.00 1nqt n ASN 228 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1nqt s GLU 229 N 0.00 3.64 0.00 1.20 2.56 0.84 -4.96 118.70 121.98 1nqt s GLU 229 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.88 1nqt s GLU 229 Cb 0.00 -3.81 0.00 0.00 2.00 0.00 0.00 34.13 32.32 1nqt s GLU 229 CO 0.00 -0.67 0.88 0.00 -0.56 0.00 0.00 175.26 174.91 1nqt n ALA 230 N 5.84 -0.10 -0.03 6.30 0.00 -1.26 -1.45 120.51 129.81 1nqt n ALA 230 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nqt n ALA 230 Cb 0.49 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1nqt n ALA 230 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqt n SER 231 N -2.30 0.00 -0.37 0.00 3.41 -1.26 0.18 113.62 113.27 1nqt n SER 231 Ca 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 58.87 58.91 1nqt n SER 231 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 1nqt n SER 231 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1nqt h TYR 232 N 0.00 0.71 0.00 7.33 -1.99 -1.91 1.77 116.97 122.88 1nqt h TYR 232 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1nqt h TYR 232 Cb 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.55 1nqt h TYR 232 CO 0.00 -0.18 0.00 0.52 -0.00 0.00 0.00 178.16 178.50 1nqt h MET 233 N 0.21 0.00 0.06 4.88 2.86 0.30 -3.02 114.93 120.23 1nqt h MET 233 Ca 0.76 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.39 1nqt h MET 233 Cb 2.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.72 1nqt h MET 233 CO -0.49 0.00 -0.03 0.77 1.06 0.00 0.00 176.91 178.21 1nqt h SER 234 N 0.00 -0.07 0.00 1.22 0.02 0.64 0.41 113.55 115.77 1nqt h SER 234 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nqt h SER 234 Cb 0.42 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1nqt h SER 234 CO 0.00 0.26 0.85 0.40 -1.14 0.00 0.00 176.83 177.20 1nqt h ILE 235 N -0.71 0.00 0.00 3.27 1.08 -1.45 1.62 117.51 121.33 1nqt h ILE 235 Ca -0.01 0.00 -0.45 0.00 -0.39 0.00 0.00 64.86 64.01 1nqt h ILE 235 Cb 0.07 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 33.81 1nqt h ILE 235 CO 0.01 0.00 -2.51 0.18 -0.69 0.00 0.00 178.15 175.15 1nqt n LEU 236 N -2.31 2.15 0.00 1.44 4.77 -1.15 -4.99 117.00 116.91 1nqt n LEU 236 Ca -0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1nqt n LEU 236 Cb 0.85 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1nqt n LEU 236 CO 0.01 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nqt n GLY 237 N 1.45 0.98 0.00 -0.72 0.00 0.55 -5.12 105.19 102.33 1nqt n GLY 237 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1nqt n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nqt n MET 238 N 0.00 2.67 -4.16 1.61 2.00 0.13 -4.86 117.12 114.51 1nqt n MET 238 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 1nqt n MET 238 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1nqt n MET 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nqt n THR 239 N 0.00 -2.11 -1.03 2.03 5.66 -1.26 -4.87 114.28 112.70 1nqt n THR 239 Ca 0.00 -0.57 -0.31 0.00 -3.05 0.00 0.00 64.05 60.12 1nqt n THR 239 Cb 0.00 -1.82 0.13 0.00 -1.55 0.00 0.00 70.33 67.08 1nqt n THR 239 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1nqt s PRO 240 N -7.34 1.67 -0.02 1.09 0.02 -1.26 -5.05 135.00 124.12 1nqt s PRO 240 Ca 0.26 1.43 0.13 0.00 0.02 0.00 0.00 61.00 62.83 1nqt s PRO 240 Cb -0.14 -1.81 -0.20 0.00 0.02 0.00 0.00 34.50 32.37 1nqt s PRO 240 CO 0.98 -2.12 0.30 0.41 -0.33 0.00 0.00 177.00 176.24 1nqt n GLY 241 N -0.33 -0.57 0.01 0.52 0.00 -1.26 -4.21 105.19 99.34 1nqt n GLY 241 Ca 0.11 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1nqt n GLY 241 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1nqt n PHE 242 N -1.91 0.00 -1.89 1.61 1.16 -1.26 -4.69 117.46 110.48 1nqt n PHE 242 Ca -0.02 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.61 1nqt n PHE 242 Cb 0.33 -0.21 0.09 0.00 -1.61 0.00 0.00 39.48 38.09 1nqt n PHE 242 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1nqt n GLY 243 N 2.23 2.80 0.28 4.97 0.00 -1.26 -5.04 105.19 109.17 1nqt n GLY 243 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1nqt n GLY 243 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nqt n ASP 244 N -0.41 0.00 -3.65 1.61 8.00 -1.26 -4.30 116.55 116.54 1nqt n ASP 244 Ca 0.10 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.45 1nqt n ASP 244 Cb 0.84 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.86 1nqt n ASP 244 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1nqt s LYS 245 N 0.00 0.83 0.02 -1.24 -2.85 -1.26 -4.04 119.74 111.20 1nqt s LYS 245 Ca 0.00 0.12 -0.01 0.00 -1.00 0.00 0.00 55.97 55.08 1nqt s LYS 245 Cb 0.00 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 1nqt s LYS 245 CO 0.00 -0.23 -0.01 0.95 0.10 0.00 0.00 175.35 176.16 1nqt s THR 246 N -1.06 0.10 0.09 3.79 -4.23 -1.26 -2.78 115.64 110.29 1nqt s THR 246 Ca -0.11 -0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 59.42 1nqt s THR 246 Cb -0.03 -0.26 0.04 0.00 1.34 0.00 0.00 72.50 73.60 1nqt s THR 246 CO 0.06 -0.44 0.46 0.72 -0.54 0.00 0.00 174.62 174.88 1nqt s PHE 247 N -1.31 -0.31 -0.08 3.99 -0.71 -0.57 -1.23 117.98 117.77 1nqt s PHE 247 Ca -0.14 0.16 -0.03 0.00 -1.04 0.00 0.00 56.93 55.88 1nqt s PHE 247 Cb -0.09 0.31 0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1nqt s PHE 247 CO -0.01 -0.67 0.16 0.08 -1.34 0.00 0.00 175.22 173.44 1nqt s VAL 248 N -3.15 -0.11 -0.16 -2.49 1.01 0.17 -1.82 120.40 113.85 1nqt s VAL 248 Ca -0.01 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 1nqt s VAL 248 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1nqt s VAL 248 CO -0.07 0.09 0.06 0.68 0.00 0.00 0.00 175.10 175.86 1nqt s VAL 249 N 1.48 4.78 -0.42 2.92 -7.23 -1.19 -0.35 120.40 120.39 1nqt s VAL 249 Ca -0.06 -0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.96 1nqt s VAL 249 Cb -0.12 -3.12 0.07 0.00 0.56 0.00 0.00 36.38 33.78 1nqt s VAL 249 CO -0.06 0.51 0.28 -1.58 -0.31 0.00 0.00 175.10 173.93 1nqt s GLN 250 N -0.02 2.69 0.00 4.82 -0.44 0.31 -2.56 119.66 124.47 1nqt s GLN 250 Ca 0.06 -1.41 0.00 0.00 -2.50 0.00 0.00 55.36 51.51 1nqt s GLN 250 Cb -0.12 -3.84 0.00 0.00 -1.64 0.00 0.00 33.01 27.41 1nqt s GLN 250 CO 0.01 -0.95 0.00 0.41 0.50 0.00 0.00 175.29 175.26 1nqt n GLY 251 N 4.98 3.98 0.35 2.59 0.00 0.18 -0.77 105.19 116.49 1nqt n GLY 251 Ca -0.11 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.71 1nqt n GLY 251 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqt n PHE 252 N -0.13 0.27 0.00 1.61 -0.00 -1.26 -4.51 117.46 113.45 1nqt n PHE 252 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 57.45 56.89 1nqt n PHE 252 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.42 1nqt n PHE 252 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 253 N -0.12 -0.60 0.00 7.13 0.00 -1.26 -3.68 105.19 106.67 1nqt n GLY 253 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nqt n GLY 253 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nqt n ASN 254 N 0.00 0.00 -0.19 1.61 5.15 -1.26 -3.45 115.26 117.12 1nqt n ASN 254 Ca 0.00 0.03 -0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1nqt n ASN 254 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1nqt n ASN 254 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1nqt n VAL 255 N -0.22 -0.27 0.04 3.44 3.14 -1.26 0.52 118.33 123.72 1nqt n VAL 255 Ca 0.00 1.15 -0.11 0.00 -2.96 0.00 0.00 64.34 62.43 1nqt n VAL 255 Cb 0.00 -1.50 -0.07 0.00 -1.06 0.00 0.00 33.84 31.21 1nqt n VAL 255 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1nqt h GLY 256 N 0.00 -1.21 0.00 7.55 0.00 -1.79 0.54 103.07 108.16 1nqt h GLY 256 Ca 0.15 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1nqt h GLY 256 CO -0.48 -0.33 0.00 -0.10 0.00 0.00 0.00 176.54 175.63 1nqt n LEU 257 N -4.50 0.00 -0.41 3.11 7.94 0.18 -0.09 117.00 123.24 1nqt n LEU 257 Ca -0.05 0.48 0.37 0.00 -1.11 0.00 0.00 56.01 55.69 1nqt n LEU 257 Cb 0.27 -0.04 0.71 0.00 0.53 0.00 0.00 43.42 44.89 1nqt n LEU 257 CO 0.09 -0.04 1.33 0.45 -1.11 0.00 0.00 177.39 178.10 1nqt h HIS 258 N 0.00 0.17 -0.07 1.96 3.86 -1.46 0.93 115.15 120.54 1nqt h HIS 258 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1nqt h HIS 258 Cb 0.00 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1nqt h HIS 258 CO -0.08 -0.02 0.02 0.77 0.86 0.00 0.00 177.93 179.48 1nqt h SER 259 N 0.07 0.10 0.25 2.45 0.02 0.19 0.44 113.55 117.07 1nqt h SER 259 Ca 0.67 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1nqt h SER 259 Cb 2.46 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 64.95 1nqt h SER 259 CO -0.10 0.30 -0.39 -0.03 -1.14 0.00 0.00 176.83 175.47 1nqt h MET 260 N -0.10 -0.65 -0.31 3.45 -1.53 0.40 -0.98 114.93 115.21 1nqt h MET 260 Ca 0.02 0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.35 1nqt h MET 260 Cb 0.24 0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 31.40 1nqt h MET 260 CO 0.00 -0.43 -0.18 0.54 0.14 0.00 0.00 176.91 176.97 1nqt n ARG 261 N -4.72 -0.14 -0.14 0.39 5.12 0.15 -0.12 116.66 117.21 1nqt n ARG 261 Ca -0.08 0.88 -0.09 0.00 -1.93 0.00 0.00 57.85 56.64 1nqt n ARG 261 Cb 0.33 -1.31 0.06 0.00 -1.16 0.00 0.00 32.46 30.38 1nqt n ARG 261 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1nqt h TYR 262 N 0.00 1.01 0.31 -1.55 0.05 -0.85 -1.56 116.97 114.38 1nqt h TYR 262 Ca 0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 1nqt h TYR 262 Cb 0.13 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1nqt h TYR 262 CO -0.71 0.98 -0.15 1.25 -1.05 0.00 0.00 178.16 178.49 1nqt h LEU 263 N 0.80 -0.35 0.00 3.88 5.85 -0.28 -3.00 115.31 122.21 1nqt h LEU 263 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1nqt h LEU 263 Cb 0.69 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1nqt h LEU 263 CO 0.05 -0.21 0.00 1.57 -0.34 0.00 0.00 178.44 179.52 1nqt n HIS 264 N -5.25 0.00 0.03 1.25 -0.00 0.83 -0.80 115.22 111.29 1nqt n HIS 264 Ca -0.10 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.17 1nqt n HIS 264 Cb 0.20 -0.41 0.14 0.00 -0.12 0.00 0.00 29.99 29.80 1nqt n HIS 264 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1nqt n ARG 265 N -2.33 0.01 -1.15 1.57 0.63 -0.59 0.81 116.66 115.61 1nqt n ARG 265 Ca 0.00 0.60 -0.13 0.00 -0.92 0.00 0.00 57.85 57.41 1nqt n ARG 265 Cb 0.00 -1.56 0.14 0.00 0.45 0.00 0.00 32.46 31.49 1nqt n ARG 265 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1nqt n PHE 266 N -2.12 1.72 -2.49 -0.14 3.72 0.02 -4.97 117.46 113.21 1nqt n PHE 266 Ca 0.07 -1.93 -0.04 0.00 -0.05 0.00 0.00 57.45 55.50 1nqt n PHE 266 Cb 0.78 -0.58 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 1nqt n PHE 266 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqt n GLY 267 N -1.01 0.54 0.00 1.37 0.00 0.24 -5.05 105.19 101.28 1nqt n GLY 267 Ca 0.39 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1nqt n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt n ALA 268 N -2.38 0.00 -3.15 4.61 0.00 -1.22 -4.14 120.51 114.23 1nqt n ALA 268 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1nqt n ALA 268 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1nqt n ALA 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nqt s LYS 269 N 3.16 0.35 0.33 0.00 2.20 -1.12 -4.86 119.74 119.81 1nqt s LYS 269 Ca 0.00 0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 55.78 1nqt s LYS 269 Cb 0.00 0.23 -0.10 0.00 -1.51 0.00 0.00 37.83 36.45 1nqt s LYS 269 CO 0.00 -0.55 1.28 0.00 -0.36 0.00 0.00 175.35 175.71 1nqt n ILE 271 N 0.76 0.00 -3.81 0.00 3.06 -0.76 -2.19 119.36 116.43 1nqt n ILE 271 Ca 0.00 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.15 1nqt n ILE 271 Cb 0.42 -0.11 -0.07 0.00 0.54 0.00 0.00 39.64 40.42 1nqt n ILE 271 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nqt s ALA 272 N -1.97 -0.41 0.04 1.51 0.00 -1.26 -1.77 121.76 117.90 1nqt s ALA 272 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.49 1nqt s ALA 272 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1nqt s ALA 272 CO 0.00 -0.47 0.20 0.08 0.00 0.00 0.00 175.76 175.57 1nqt s VAL 273 N -3.34 0.11 -0.26 0.00 1.01 -1.26 -3.18 120.40 113.48 1nqt s VAL 273 Ca 0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1nqt s VAL 273 Cb 0.02 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.54 1nqt s VAL 273 CO -0.08 -0.49 0.64 -0.83 0.00 0.00 0.00 175.10 174.33 1nqt s GLY 274 N -2.13 -0.59 0.00 4.51 0.00 -1.06 -0.49 107.32 107.56 1nqt s GLY 274 Ca -0.04 2.26 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1nqt s GLY 274 CO -0.04 2.32 0.00 1.18 0.00 0.00 0.00 173.10 176.55 1nqt n GLU 275 N 4.38 3.03 -0.14 2.90 -0.58 -0.90 0.48 120.64 129.81 1nqt n GLU 275 Ca -0.20 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.59 1nqt n GLU 275 Cb 0.58 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.61 1nqt n GLU 275 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1nqt n SER 276 N -0.33 1.59 -0.01 1.62 3.41 -1.26 -3.84 113.62 114.80 1nqt n SER 276 Ca 0.00 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.63 1nqt n SER 276 Cb 0.00 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1nqt n SER 276 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nqt n ASP 277 N 0.35 1.77 0.00 4.04 -0.08 -1.26 -5.13 116.55 116.25 1nqt n ASP 277 Ca 0.11 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1nqt n ASP 277 Cb 0.26 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1nqt n ASP 277 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nqt n GLY 278 N 3.11 2.56 3.72 0.27 0.00 -1.25 -5.03 105.19 108.57 1nqt n GLY 278 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1nqt n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt s SER 279 N 2.00 -0.10 0.46 1.61 0.01 -1.26 -2.11 113.70 114.30 1nqt s SER 279 Ca 0.00 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 56.98 1nqt s SER 279 Cb 0.00 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 1nqt s SER 279 CO 0.00 -0.63 0.10 -0.63 0.41 0.00 0.00 173.24 172.49 1nqt s ILE 280 N -2.75 0.65 -0.30 1.44 1.01 0.36 -3.55 121.20 118.06 1nqt s ILE 280 Ca 0.15 -2.00 -0.19 0.00 0.00 0.00 0.00 60.65 58.61 1nqt s ILE 280 Cb 0.01 -2.19 0.21 0.00 0.01 0.00 0.00 42.46 40.50 1nqt s ILE 280 CO -0.00 0.00 1.36 0.86 0.00 0.00 0.00 174.94 177.16 1nqt s TRP 281 N -3.09 -0.02 0.00 3.97 -0.11 -1.12 -4.07 118.94 114.51 1nqt s TRP 281 Ca 0.15 0.04 0.00 0.00 1.22 0.00 0.00 56.10 57.52 1nqt s TRP 281 Cb 0.01 0.19 0.00 0.00 -1.50 0.00 0.00 33.47 32.17 1nqt s TRP 281 CO 0.11 -0.01 0.00 -1.71 -4.62 0.00 0.00 176.95 170.72 1nqt n ASN 282 N 2.49 0.00 0.00 5.86 2.85 -0.73 -1.22 115.26 124.51 1nqt n ASN 282 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1nqt n ASN 282 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1nqt n ASN 282 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nqt n PRO 283 N 0.00 0.00 0.08 1.20 -0.02 -1.26 -0.61 135.00 134.39 1nqt n PRO 283 Ca 0.00 0.06 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 1nqt n PRO 283 Cb 0.00 -1.88 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 1nqt n PRO 283 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nqt h ASP 284 N 0.00 0.41 0.00 2.55 3.45 -1.93 -3.49 116.42 117.41 1nqt h ASP 284 Ca 0.00 -0.52 0.00 0.00 0.43 0.00 0.00 57.03 56.94 1nqt h ASP 284 Cb 0.75 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1nqt h ASP 284 CO 0.00 1.43 0.00 0.61 -1.57 0.00 0.00 179.24 179.71 1nqt n GLY 285 N 1.63 4.04 3.94 2.75 0.00 0.22 -5.03 105.19 112.74 1nqt n GLY 285 Ca -0.14 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1nqt n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqt s ILE 286 N -0.03 4.77 -0.13 -0.61 1.01 -0.93 -5.01 121.20 120.27 1nqt s ILE 286 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1nqt s ILE 286 Cb 0.00 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1nqt s ILE 286 CO 0.00 -0.53 -0.18 -0.62 0.00 0.00 0.00 174.94 173.61 1nqt s ASP 287 N -4.09 3.53 0.13 3.58 2.15 -1.26 -4.59 116.67 116.12 1nqt s ASP 287 Ca 0.43 -0.47 -0.27 0.00 0.43 0.00 0.00 52.55 52.66 1nqt s ASP 287 Cb -0.10 -1.52 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 1nqt s ASP 287 CO 0.37 0.13 1.60 -0.65 -0.17 0.00 0.00 175.17 176.45 1nqt h PRO 288 N 6.98 -0.43 0.00 4.34 0.11 -1.96 -0.95 132.00 140.10 1nqt h PRO 288 Ca -0.27 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1nqt h PRO 288 Cb 1.21 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1nqt h PRO 288 CO 0.54 -0.28 0.00 1.17 -0.21 0.00 0.00 178.00 179.21 1nqt n LYS 289 N -5.42 0.00 0.00 1.05 4.81 -1.26 0.27 118.16 117.61 1nqt n LYS 289 Ca -0.03 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1nqt n LYS 289 Cb 0.35 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1nqt n LYS 289 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1nqt n GLU 290 N -2.24 0.00 -0.22 1.64 1.02 -1.12 -0.22 120.64 119.51 1nqt n GLU 290 Ca 0.00 0.74 -0.03 0.00 -0.02 0.00 0.00 57.16 57.85 1nqt n GLU 290 Cb 0.00 -1.12 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1nqt n GLU 290 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nqt h LEU 291 N 0.00 -1.01 -0.31 -4.62 5.85 -1.11 0.12 115.31 114.23 1nqt h LEU 291 Ca 0.00 0.22 0.07 0.00 0.84 0.00 0.00 57.88 59.01 1nqt h LEU 291 Cb 0.00 0.53 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1nqt h LEU 291 CO 0.00 -0.28 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.38 1nqt h GLU 292 N -0.11 -0.31 0.15 1.25 4.81 0.31 0.25 114.58 120.93 1nqt h GLU 292 Ca 0.27 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1nqt h GLU 292 Cb 0.54 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1nqt h GLU 292 CO -0.70 -0.21 -0.12 -0.44 -0.73 0.00 0.00 179.01 176.81 1nqt h ASP 293 N -0.33 -0.32 -0.84 1.04 3.32 0.06 -1.16 116.42 118.19 1nqt h ASP 293 Ca 0.14 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.39 1nqt h ASP 293 Cb 0.56 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 1nqt h ASP 293 CO -0.49 -0.19 0.56 0.15 -1.72 0.00 0.00 179.24 177.54 1nqt h PHE 294 N -0.29 0.56 0.00 4.55 3.57 0.50 0.85 116.94 126.69 1nqt h PHE 294 Ca -0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1nqt h PHE 294 Cb 0.26 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1nqt h PHE 294 CO -0.11 0.18 -0.30 -0.22 -2.23 0.00 0.00 178.31 175.64 1nqt h LYS 295 N 0.45 0.00 0.03 1.11 3.64 0.34 -3.21 116.57 118.93 1nqt h LYS 295 Ca 0.43 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.56 1nqt h LYS 295 Cb 0.98 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1nqt h LYS 295 CO -0.16 0.30 -1.37 1.25 -2.27 0.00 0.00 179.45 177.20 1nqt h LEU 296 N 0.00 0.10 0.00 5.20 7.12 0.16 -3.37 115.31 124.51 1nqt h LEU 296 Ca -0.00 -0.62 0.00 0.00 0.13 0.00 0.00 57.88 57.39 1nqt h LEU 296 Cb 0.87 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1nqt h LEU 296 CO 0.04 1.55 0.08 0.00 -0.13 0.00 0.00 178.44 179.98 1nqt n GLN 297 N -4.24 0.00 0.00 1.25 6.02 0.14 -4.55 117.38 116.00 1nqt n GLN 297 Ca -0.31 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1nqt n GLN 297 Cb 0.75 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1nqt n GLN 297 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1nqt n HIS 298 N -1.42 0.00 0.00 1.08 1.44 -1.21 -5.08 115.22 110.03 1nqt n HIS 298 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1nqt n HIS 298 Cb 0.08 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.19 1nqt n HIS 298 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nqt n GLY 299 N 0.00 0.43 3.59 -1.39 0.00 -1.26 -4.65 105.19 101.91 1nqt n GLY 299 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1nqt n GLY 299 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqt s SER 300 N -3.03 3.27 0.59 1.61 0.15 -1.26 -4.88 113.70 110.15 1nqt s SER 300 Ca 0.00 -1.57 0.36 0.00 0.70 0.00 0.00 55.95 55.44 1nqt s SER 300 Cb 0.00 0.27 1.83 0.00 -1.71 0.00 0.00 66.02 66.42 1nqt s SER 300 CO 0.00 -0.78 2.18 0.16 1.20 0.00 0.00 173.24 176.00 1nqt h ILE 301 N 1.71 0.20 -1.93 6.45 -0.00 -1.88 -3.43 117.51 118.63 1nqt h ILE 301 Ca -0.40 -0.29 -0.65 0.00 -0.00 0.00 0.00 64.86 63.51 1nqt h ILE 301 Cb 1.28 1.24 0.07 0.00 -0.00 0.00 0.00 36.82 39.41 1nqt h ILE 301 CO 0.68 0.03 0.33 0.18 -0.00 0.00 0.00 178.15 179.37 1nqt n LEU 302 N -3.29 1.64 -2.37 0.16 4.32 -1.26 -3.14 117.00 113.07 1nqt n LEU 302 Ca -0.02 1.14 -0.08 0.00 -0.02 0.00 0.00 56.01 57.03 1nqt n LEU 302 Cb 0.18 -1.22 0.04 0.00 -1.62 0.00 0.00 43.42 40.80 1nqt n LEU 302 CO 0.25 -1.20 0.03 0.61 -1.22 0.00 0.00 177.39 175.86 1nqt n GLY 303 N 2.13 -0.11 3.50 -0.72 0.00 -1.26 -5.03 105.19 103.70 1nqt n GLY 303 Ca 0.15 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1nqt n GLY 303 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqt s PHE 304 N -3.20 3.12 1.26 1.61 5.36 -1.19 -5.10 117.98 119.84 1nqt s PHE 304 Ca 0.16 -0.27 -0.19 0.00 -0.96 0.00 0.00 56.93 55.67 1nqt s PHE 304 Cb -0.02 -2.16 0.28 0.00 -0.34 0.00 0.00 43.02 40.78 1nqt s PHE 304 CO 0.38 -0.18 0.65 -2.30 -1.46 0.00 0.00 175.22 172.32 1nqt n PRO 305 N 4.38 -3.37 -1.38 10.12 -0.02 -1.26 -3.08 135.00 140.39 1nqt n PRO 305 Ca -0.16 -0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 60.19 1nqt n PRO 305 Cb 0.52 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1nqt n PRO 305 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nqt n LYS 306 N -4.18 -1.43 -3.64 -0.52 5.02 -1.26 -4.90 118.16 107.25 1nqt n LYS 306 Ca 0.08 0.88 -0.05 0.00 -2.02 0.00 0.00 58.31 57.19 1nqt n LYS 306 Cb 0.53 -5.14 -0.07 0.00 -0.02 0.00 0.00 35.03 30.33 1nqt n LYS 306 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt s ALA 307 N -2.16 -2.14 -0.16 7.82 0.00 -1.18 -4.88 121.76 119.06 1nqt s ALA 307 Ca 0.00 2.15 -0.11 0.00 0.00 0.00 0.00 51.96 54.00 1nqt s ALA 307 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1nqt s ALA 307 CO 0.00 -0.32 0.21 0.21 0.00 0.00 0.00 175.76 175.86 1nqt s LYS 308 N 1.09 4.08 -0.50 0.00 2.20 -0.36 -4.60 119.74 121.65 1nqt s LYS 308 Ca -0.06 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.19 1nqt s LYS 308 Cb -0.04 -3.38 -0.11 0.00 -1.51 0.00 0.00 37.83 32.79 1nqt s LYS 308 CO -0.13 0.37 2.36 -2.30 -0.36 0.00 0.00 175.35 175.29 1nqt n PRO 309 N 3.21 0.94 -1.71 4.03 -0.02 -1.26 -2.78 135.00 137.41 1nqt n PRO 309 Ca -0.15 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.20 1nqt n PRO 309 Cb 0.52 -2.66 0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1nqt n PRO 309 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nqt s TYR 310 N 9.27 2.46 -0.26 6.00 5.04 -1.23 -4.98 117.35 133.63 1nqt s TYR 310 Ca 1.10 0.72 0.02 0.00 -2.44 0.00 0.00 57.07 56.47 1nqt s TYR 310 Cb -0.67 -3.54 0.07 0.00 0.35 0.00 0.00 41.96 38.17 1nqt s TYR 310 CO 0.41 -2.25 -0.04 -2.00 -1.34 0.00 0.00 175.55 170.32 1nqt s GLU 311 N -5.49 1.69 0.00 4.97 2.56 -1.26 -4.35 118.70 116.81 1nqt s GLU 311 Ca 0.65 -1.23 0.00 0.00 0.00 0.00 0.00 54.97 54.39 1nqt s GLU 311 Cb -0.12 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.30 1nqt s GLU 311 CO 0.52 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 1nqt n GLY 312 N 4.56 1.25 2.87 -1.50 0.00 -1.26 -5.00 105.19 106.11 1nqt n GLY 312 Ca -0.09 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 1nqt n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 313 N -4.00 0.74 0.00 1.61 1.04 -1.26 -4.69 113.70 107.14 1nqt s SER 313 Ca 0.00 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1nqt s SER 313 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1nqt s SER 313 CO 0.00 -0.25 0.32 2.30 0.98 0.00 0.00 173.24 176.59 1nqt n ILE 314 N 5.33 0.17 -0.29 -1.02 -0.00 -1.26 -3.24 119.36 119.06 1nqt n ILE 314 Ca -0.05 0.10 0.19 0.00 -0.00 0.00 0.00 62.75 62.99 1nqt n ILE 314 Cb 0.50 -1.10 0.48 0.00 -0.00 0.00 0.00 39.64 39.52 1nqt n ILE 314 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1nqt h LEU 315 N 0.00 0.48 0.13 7.28 4.07 -1.95 -2.07 115.31 123.26 1nqt h LEU 315 Ca 0.00 0.06 -0.32 0.00 0.08 0.00 0.00 57.88 57.70 1nqt h LEU 315 Cb 0.10 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1nqt h LEU 315 CO 0.00 0.16 -1.60 -0.33 -1.08 0.00 0.00 178.44 175.59 1nqt h GLU 316 N 0.46 0.27 -3.18 1.13 3.07 -1.84 -3.42 114.58 111.07 1nqt h GLU 316 Ca 0.53 -0.47 -0.44 0.00 -0.50 0.00 0.00 59.36 58.48 1nqt h GLU 316 Cb 1.23 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1nqt h GLU 316 CO -0.24 1.14 0.53 0.00 -1.40 0.00 0.00 179.01 179.04 1nqt n ALA 317 N -2.72 -0.31 -1.23 3.43 0.00 -0.78 -3.30 120.51 115.59 1nqt n ALA 317 Ca -0.19 0.19 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1nqt n ALA 317 Cb 1.05 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 19.46 1nqt n ALA 317 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nqt n ASP 318 N 3.02 -3.70 0.00 0.00 2.03 -1.26 -4.68 116.55 111.97 1nqt n ASP 318 Ca 0.23 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.13 1nqt n ASP 318 Cb -0.03 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1nqt n ASP 318 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqt n ASP 320 N 0.00 1.88 -4.25 0.00 10.43 -0.98 -3.30 116.55 120.33 1nqt n ASP 320 Ca 0.00 0.41 -0.35 0.00 2.57 0.00 0.00 54.79 57.42 1nqt n ASP 320 Cb 0.00 -0.95 -0.14 0.00 1.84 0.00 0.00 41.12 41.87 1nqt n ASP 320 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1nqt s ILE 321 N -2.38 3.19 -0.24 0.53 -1.09 -0.36 -1.25 121.20 119.60 1nqt s ILE 321 Ca -0.30 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.20 1nqt s ILE 321 Cb 0.07 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1nqt s ILE 321 CO 0.59 0.23 0.11 -0.22 -1.23 0.00 0.00 174.94 174.42 1nqt s LEU 322 N 1.39 3.79 -0.32 2.97 0.20 -0.16 0.45 118.68 126.99 1nqt s LEU 322 Ca 0.02 -0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.83 1nqt s LEU 322 Cb -0.16 -2.01 0.09 0.00 -0.43 0.00 0.00 46.19 43.67 1nqt s LEU 322 CO -0.03 0.03 0.02 0.27 -0.29 0.00 0.00 176.35 176.35 1nqt s ILE 323 N 1.26 2.40 -0.62 6.68 -4.36 0.52 -1.30 121.20 125.78 1nqt s ILE 323 Ca 0.06 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 58.09 1nqt s ILE 323 Cb -0.14 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.92 1nqt s ILE 323 CO 0.05 -0.43 1.57 -2.84 0.24 0.00 0.00 174.94 173.53 1nqt s PRO 324 N 1.00 3.01 -0.47 0.37 0.02 -1.23 -0.53 135.00 137.16 1nqt s PRO 324 Ca 0.05 0.38 0.05 0.00 0.02 0.00 0.00 61.00 61.50 1nqt s PRO 324 Cb -0.20 -4.25 0.40 0.00 0.02 0.00 0.00 34.50 30.48 1nqt s PRO 324 CO -0.06 -2.30 1.07 0.00 -0.33 0.00 0.00 177.00 175.38 1nqt n ALA 325 N 10.81 4.98 0.00 -1.55 0.00 0.05 -0.38 120.51 134.42 1nqt n ALA 325 Ca 0.14 -4.42 0.00 0.00 0.00 0.00 0.00 53.44 49.16 1nqt n ALA 325 Cb 0.50 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1nqt n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt n ALA 326 N -0.43 0.00 0.00 0.00 0.00 -1.20 -4.39 120.51 114.49 1nqt n ALA 326 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1nqt n ALA 326 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1nqt n ALA 326 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nqt n SER 327 N 0.00 0.00 -4.67 0.00 7.64 -1.26 -4.90 113.62 110.43 1nqt n SER 327 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1nqt n SER 327 Cb 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.36 1nqt n SER 327 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1nqt n GLU 328 N 0.00 -0.38 -3.36 1.43 4.07 -1.26 -4.25 120.64 116.88 1nqt n GLU 328 Ca 0.00 -0.04 -0.24 0.00 -0.06 0.00 0.00 57.16 56.81 1nqt n GLU 328 Cb 0.00 -2.38 0.01 0.00 -0.06 0.00 0.00 31.44 29.01 1nqt n GLU 328 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1nqt n LYS 329 N -4.12 -1.36 -0.12 5.31 2.85 -0.74 -4.91 118.16 115.08 1nqt n LYS 329 Ca 0.12 0.79 -0.25 0.00 -1.05 0.00 0.00 58.31 57.92 1nqt n LYS 329 Cb 0.52 -1.71 -0.11 0.00 -0.65 0.00 0.00 35.03 33.07 1nqt n LYS 329 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1nqt n GLN 330 N -1.48 0.59 -3.35 -1.58 -0.06 0.37 -4.84 117.38 107.04 1nqt n GLN 330 Ca -0.20 0.40 -0.42 0.00 -2.00 0.00 0.00 57.00 54.79 1nqt n GLN 330 Cb 0.56 -1.62 -0.09 0.00 -4.06 0.00 0.00 30.24 25.03 1nqt n GLN 330 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1nqt s LEU 331 N -7.61 4.60 0.00 1.69 1.43 -0.72 -4.98 118.68 113.08 1nqt s LEU 331 Ca -0.33 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1nqt s LEU 331 Cb 0.10 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1nqt s LEU 331 CO 0.55 -0.45 0.00 0.35 0.23 0.00 0.00 176.35 177.03 1nqt n THR 332 N 5.34 0.00 0.30 5.49 -2.24 -1.26 -1.80 114.28 120.11 1nqt n THR 332 Ca -0.08 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1nqt n THR 332 Cb 0.48 -0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.29 1nqt n THR 332 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nqt h LYS 333 N 0.00 -0.76 0.00 -0.78 3.64 -1.93 -2.62 116.57 114.11 1nqt h LYS 333 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nqt h LYS 333 Cb 0.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nqt h LYS 333 CO 0.00 -0.51 0.00 0.45 -2.27 0.00 0.00 179.45 177.12 1nqt n SER 334 N -5.45 0.00 -0.73 4.20 2.88 -1.26 -1.77 113.62 111.49 1nqt n SER 334 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1nqt n SER 334 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1nqt n SER 334 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nqt n ASN 335 N 0.00 1.59 0.03 -3.46 2.04 -1.26 -4.07 115.26 110.14 1nqt n ASN 335 Ca 0.00 -1.65 -0.11 0.00 -0.44 0.00 0.00 54.58 52.38 1nqt n ASN 335 Cb 0.00 -0.41 -0.08 0.00 -2.53 0.00 0.00 39.78 36.76 1nqt n ASN 335 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nqt h ALA 336 N 1.91 -0.16 -1.00 -2.53 0.00 -0.94 -3.33 119.26 113.19 1nqt h ALA 336 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.76 1nqt h ALA 336 Cb 0.60 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1nqt h ALA 336 CO 0.00 -0.25 0.64 -1.35 0.00 0.00 0.00 179.25 178.29 1nqt h PRO 337 N -0.84 1.04 0.00 0.00 0.11 -1.73 -2.90 132.00 127.67 1nqt h PRO 337 Ca -0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1nqt h PRO 337 Cb 0.55 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1nqt h PRO 337 CO 0.03 0.69 0.00 0.54 -0.21 0.00 0.00 178.00 179.04 1nqt n ARG 338 N -4.56 0.22 -2.84 1.05 1.74 -1.25 -4.78 116.66 106.24 1nqt n ARG 338 Ca 0.17 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 1nqt n ARG 338 Cb 0.28 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1nqt n ARG 338 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nqt s VAL 339 N -2.09 4.87 0.09 1.55 -7.23 -1.10 -4.74 120.40 111.76 1nqt s VAL 339 Ca 0.11 1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 61.89 1nqt s VAL 339 Cb 0.05 -4.19 -0.15 0.00 0.56 0.00 0.00 36.38 32.66 1nqt s VAL 339 CO 0.09 0.05 1.31 0.11 -0.31 0.00 0.00 175.10 176.35 1nqt h LYS 340 N 7.18 0.76 -6.00 4.82 1.79 -1.81 -3.47 116.57 119.85 1nqt h LYS 340 Ca -0.31 -0.60 -0.57 0.00 -2.18 0.00 0.00 60.65 56.99 1nqt h LYS 340 Cb 1.15 0.12 0.21 0.00 -1.58 0.00 0.00 32.23 32.13 1nqt h LYS 340 CO 0.83 1.21 -1.56 0.00 -1.08 0.00 0.00 179.45 178.85 1nqt n ALA 341 N -2.59 -4.48 0.05 3.86 0.00 -1.21 -4.79 120.51 111.35 1nqt n ALA 341 Ca -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 53.44 52.96 1nqt n ALA 341 Cb 0.70 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.91 1nqt n ALA 341 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nqt n LYS 342 N 2.07 0.17 -3.56 0.00 4.76 -0.38 -4.96 118.16 116.26 1nqt n LYS 342 Ca 0.02 -0.85 -0.06 0.00 -2.87 0.00 0.00 58.31 54.56 1nqt n LYS 342 Cb 0.52 -1.04 -0.07 0.00 -1.84 0.00 0.00 35.03 32.60 1nqt n LYS 342 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nqt s ILE 343 N -0.36 -0.75 -0.23 -0.18 1.01 -1.03 -3.21 121.20 116.46 1nqt s ILE 343 Ca 0.02 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 1nqt s ILE 343 Cb 0.02 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1nqt s ILE 343 CO 0.02 0.02 0.01 -0.63 0.00 0.00 0.00 174.94 174.36 1nqt s ILE 344 N 2.68 3.89 -0.44 2.92 1.01 -0.84 -0.99 121.20 129.44 1nqt s ILE 344 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1nqt s ILE 344 Cb -0.13 -2.79 0.10 0.00 0.01 0.00 0.00 42.46 39.65 1nqt s ILE 344 CO -0.15 0.39 0.28 0.00 0.00 0.00 0.00 174.94 175.46 1nqt s ALA 345 N 1.42 3.30 -0.51 9.38 0.00 -0.42 0.83 121.76 135.76 1nqt s ALA 345 Ca 0.05 -2.39 -0.26 0.00 0.00 0.00 0.00 51.96 49.36 1nqt s ALA 345 Cb -0.15 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1nqt s ALA 345 CO 0.01 -1.78 2.33 -1.21 0.00 0.00 0.00 175.76 175.10 1nqt s GLU 346 N 1.34 2.18 -0.60 0.00 2.02 0.50 -3.52 118.70 120.62 1nqt s GLU 346 Ca 0.05 1.29 -0.01 0.00 0.02 0.00 0.00 54.97 56.32 1nqt s GLU 346 Cb -0.24 -4.55 0.43 0.00 0.10 0.00 0.00 34.13 29.86 1nqt s GLU 346 CO -0.00 -3.19 2.02 0.41 0.02 0.00 0.00 175.26 174.52 1nqt n GLY 347 N 5.96 5.53 3.60 -1.39 0.00 0.48 -3.89 105.19 115.48 1nqt n GLY 347 Ca 0.34 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 1nqt n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 348 N -3.49 -2.09 -0.02 4.61 0.00 -1.18 -4.18 121.76 115.41 1nqt s ALA 348 Ca 0.59 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.82 1nqt s ALA 348 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1nqt s ALA 348 CO -0.00 -0.62 1.08 -0.80 0.00 0.00 0.00 175.76 175.42 1nqt s ASN 349 N -2.22 7.21 -0.56 0.00 0.01 -1.26 -4.26 114.94 113.87 1nqt s ASN 349 Ca 0.10 1.75 -0.18 0.00 -0.71 0.00 0.00 52.86 53.82 1nqt s ASN 349 Cb -0.01 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.11 1nqt s ASN 349 CO -0.04 -0.41 0.64 0.61 -1.51 0.00 0.00 177.10 176.38 1nqt n GLY 350 N 3.11 -0.82 0.12 0.66 0.00 -1.26 -4.65 105.19 102.35 1nqt n GLY 350 Ca 0.08 0.99 -0.15 0.00 0.00 0.00 0.00 46.02 46.94 1nqt n GLY 350 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqt n PRO 351 N -0.91 0.67 -2.61 1.61 -0.04 -1.26 -1.79 135.00 130.67 1nqt n PRO 351 Ca -0.04 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 1nqt n PRO 351 Cb 0.58 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1nqt n PRO 351 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1nqt s THR 352 N -2.51 2.35 0.37 0.52 -4.23 -1.26 0.14 115.64 111.02 1nqt s THR 352 Ca -0.25 -0.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1nqt s THR 352 Cb 0.08 -2.73 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 1nqt s THR 352 CO 0.69 0.00 -0.01 0.42 -0.54 0.00 0.00 174.62 175.18 1nqt s THR 353 N -2.98 2.27 0.14 3.99 -4.23 -0.74 -4.61 115.64 109.48 1nqt s THR 353 Ca 0.62 -2.05 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 1nqt s THR 353 Cb -0.08 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1nqt s THR 353 CO 0.42 -0.12 1.72 -0.65 -0.54 0.00 0.00 174.62 175.44 1nqt h PRO 354 N 1.84 0.11 -0.19 3.99 0.11 -1.98 -1.93 132.00 133.96 1nqt h PRO 354 Ca -0.43 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1nqt h PRO 354 Cb 1.25 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1nqt h PRO 354 CO 0.73 0.07 -0.37 0.93 -0.21 0.00 0.00 178.00 179.15 1nqt h GLU 355 N 0.11 -0.39 -0.57 1.05 4.39 -1.96 -1.46 114.58 115.76 1nqt h GLU 355 Ca 0.14 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.97 1nqt h GLU 355 Cb 0.17 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.80 1nqt h GLU 355 CO -0.21 -0.26 -0.27 0.00 -1.16 0.00 0.00 179.01 177.11 1nqt h ALA 356 N 0.36 0.11 -0.80 3.43 0.00 -1.67 -1.68 119.26 119.00 1nqt h ALA 356 Ca 0.10 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1nqt h ALA 356 Cb 0.58 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1nqt h ALA 356 CO -0.41 -0.59 -0.58 -0.44 0.00 0.00 0.00 179.25 177.23 1nqt h ASP 357 N -0.12 -2.05 -0.11 0.00 3.32 -0.50 -0.03 116.42 116.92 1nqt h ASP 357 Ca 0.25 0.30 0.01 0.00 0.02 0.00 0.00 57.03 57.61 1nqt h ASP 357 Cb 0.52 0.89 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 1nqt h ASP 357 CO -0.64 -0.29 -0.16 0.50 -1.72 0.00 0.00 179.24 176.93 1nqt h LYS 358 N -0.14 -0.11 -0.38 3.56 1.63 -0.86 0.80 116.57 121.06 1nqt h LYS 358 Ca 0.13 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1nqt h LYS 358 Cb 0.48 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.09 1nqt h LYS 358 CO -0.82 -0.07 -0.22 -0.89 -3.45 0.00 0.00 179.45 173.99 1nqt n ILE 359 N -3.46 -0.26 -0.17 2.00 5.41 -0.46 0.17 119.36 122.59 1nqt n ILE 359 Ca -0.01 1.60 0.27 0.00 1.00 0.00 0.00 62.75 65.61 1nqt n ILE 359 Cb 0.10 -2.04 0.71 0.00 -0.71 0.00 0.00 39.64 37.70 1nqt n ILE 359 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1nqt h PHE 360 N 0.00 0.04 0.01 1.39 0.04 -0.55 0.88 116.94 118.74 1nqt h PHE 360 Ca 0.06 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.64 1nqt h PHE 360 Cb 0.16 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1nqt h PHE 360 CO -0.81 0.01 -0.89 1.25 -0.60 0.00 0.00 178.31 177.27 1nqt h LEU 361 N 0.03 0.12 0.00 1.54 5.85 0.42 0.25 115.31 123.52 1nqt h LEU 361 Ca 0.42 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1nqt h LEU 361 Cb 1.63 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1nqt h LEU 361 CO -0.02 0.94 0.00 -0.62 -0.34 0.00 0.00 178.44 178.40 1nqt n GLU 362 N -3.57 0.00 -1.00 1.25 -0.58 0.29 -3.15 120.64 113.88 1nqt n GLU 362 Ca -0.02 0.55 -0.14 0.00 -0.42 0.00 0.00 57.16 57.13 1nqt n GLU 362 Cb 0.83 -1.49 -0.15 0.00 -0.57 0.00 0.00 31.44 30.05 1nqt n GLU 362 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1nqt n ARG 363 N -2.09 2.10 -2.24 3.49 1.85 -0.37 -4.84 116.66 114.56 1nqt n ARG 363 Ca 0.00 -1.08 -0.17 0.00 -1.00 0.00 0.00 57.85 55.60 1nqt n ARG 363 Cb 0.00 -2.06 0.02 0.00 -1.05 0.00 0.00 32.46 29.37 1nqt n ARG 363 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nqt n ASN 364 N 2.61 -2.94 -4.21 2.89 5.03 -1.18 -4.95 115.26 112.51 1nqt n ASN 364 Ca 0.45 -0.04 -0.26 0.00 0.87 0.00 0.00 54.58 55.61 1nqt n ASN 364 Cb 0.84 -0.83 -0.15 0.00 -1.02 0.00 0.00 39.78 38.63 1nqt n ASN 364 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nqt s ILE 365 N -0.71 1.54 -0.53 2.41 -1.09 0.87 -4.95 121.20 118.74 1nqt s ILE 365 Ca 0.17 -0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 57.60 1nqt s ILE 365 Cb -0.02 -1.30 0.14 0.00 -1.58 0.00 0.00 42.46 39.70 1nqt s ILE 365 CO 0.38 0.35 0.36 -0.32 -1.23 0.00 0.00 174.94 174.48 1nqt s MET 366 N -0.67 2.44 -0.40 2.79 -2.45 -1.20 -4.61 119.30 115.21 1nqt s MET 366 Ca 0.07 -2.08 -0.24 0.00 -1.25 0.00 0.00 55.69 52.19 1nqt s MET 366 Cb -0.08 -3.80 0.02 0.00 1.25 0.00 0.00 34.83 32.22 1nqt s MET 366 CO 0.00 -1.16 0.83 0.08 1.05 0.00 0.00 175.02 175.82 1nqt s VAL 367 N 0.75 4.64 -0.46 10.11 1.01 -1.26 -1.98 120.40 133.22 1nqt s VAL 367 Ca 0.11 0.83 -0.25 0.00 0.00 0.00 0.00 61.98 62.66 1nqt s VAL 367 Cb -0.22 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.89 1nqt s VAL 367 CO -0.03 -0.58 0.91 -0.63 0.00 0.00 0.00 175.10 174.77 1nqt s ILE 368 N 3.32 4.49 -0.10 2.22 1.01 0.24 -4.26 121.20 128.12 1nqt s ILE 368 Ca 0.33 0.72 -0.35 0.00 0.00 0.00 0.00 60.65 61.35 1nqt s ILE 368 Cb -0.12 -4.43 -0.12 0.00 0.01 0.00 0.00 42.46 37.80 1nqt s ILE 368 CO 0.20 -0.83 1.87 -2.65 0.00 0.00 0.00 174.94 173.53 1nqt n PRO 369 N 7.13 2.10 -0.38 2.79 -0.02 -1.26 -0.37 135.00 144.99 1nqt n PRO 369 Ca 0.06 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1nqt n PRO 369 Cb 0.48 -2.60 0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1nqt n PRO 369 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nqt h ASP 370 N 9.01 -1.33 0.00 2.55 3.04 -1.80 0.75 116.42 128.62 1nqt h ASP 370 Ca -0.48 0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 1nqt h ASP 370 Cb 1.27 0.73 0.00 0.00 -1.04 0.00 0.00 39.33 40.29 1nqt h ASP 370 CO 0.95 -0.30 0.00 -0.11 -2.04 0.00 0.00 179.24 177.74 1nqt n LEU 371 N -5.50 0.00 0.00 0.15 0.00 -1.26 -1.89 117.00 108.50 1nqt n LEU 371 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.12 1nqt n LEU 371 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.84 1nqt n LEU 371 CO -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 177.39 177.24 1nqt n TYR 372 N -0.66 0.00 -0.13 1.96 4.19 0.24 -4.51 117.16 118.26 1nqt n TYR 372 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1nqt n TYR 372 Cb 0.00 0.32 -0.02 0.00 0.49 0.00 0.00 39.34 40.13 1nqt n TYR 372 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nqt h LEU 373 N 0.00 0.99 -3.79 2.98 5.85 -0.47 -3.14 115.31 117.73 1nqt h LEU 373 Ca 0.00 -0.45 -0.37 0.00 0.84 0.00 0.00 57.88 57.90 1nqt h LEU 373 Cb 0.03 -0.28 -0.22 0.00 0.37 0.00 0.00 40.66 40.56 1nqt h LEU 373 CO 0.00 1.23 0.47 -0.46 -0.34 0.00 0.00 178.44 179.34 1nqt n ASN 374 N -4.09 4.18 0.09 1.25 2.04 -0.79 -3.53 115.26 114.41 1nqt n ASN 374 Ca -0.02 -3.37 -0.06 0.00 -0.44 0.00 0.00 54.58 50.69 1nqt n ASN 374 Cb 0.52 -0.79 0.04 0.00 -2.53 0.00 0.00 39.78 37.02 1nqt n ASN 374 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nqt h ALA 375 N 1.77 0.65 -0.43 -2.53 0.00 -1.71 -3.35 119.26 113.67 1nqt h ALA 375 Ca 0.46 -0.68 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1nqt h ALA 375 Cb 2.57 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 20.19 1nqt h ALA 375 CO 0.91 0.89 -0.10 0.41 0.00 0.00 0.00 179.25 181.37 1nqt n GLY 376 N 0.70 -0.71 0.23 0.00 0.00 -1.26 0.51 105.19 104.66 1nqt n GLY 376 Ca -0.02 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 1nqt n GLY 376 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nqt h GLY 377 N 0.00 -1.07 -0.83 -0.02 0.00 -1.78 -1.70 103.07 97.66 1nqt h GLY 377 Ca 0.21 0.50 0.16 0.00 0.00 0.00 0.00 47.33 48.20 1nqt h GLY 377 CO -0.44 -0.34 -0.32 -2.08 0.00 0.00 0.00 176.54 173.36 1nqt h VAL 378 N -0.41 0.06 -0.86 4.60 2.07 -0.19 0.28 116.25 121.80 1nqt h VAL 378 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1nqt h VAL 378 Cb 0.38 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 1nqt h VAL 378 CO -0.08 0.00 0.56 0.74 0.02 0.00 0.00 177.57 178.81 1nqt h THR 379 N -0.03 1.01 0.31 2.57 2.02 -0.84 -1.82 112.91 116.13 1nqt h THR 379 Ca 0.36 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1nqt h THR 379 Cb 0.62 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1nqt h THR 379 CO -0.92 0.16 -0.15 0.58 0.37 0.00 0.00 175.52 175.57 1nqt h VAL 380 N 0.90 0.41 -0.02 3.16 2.07 0.38 -3.16 116.25 119.98 1nqt h VAL 380 Ca 0.39 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1nqt h VAL 380 Cb 0.32 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nqt h VAL 380 CO -0.15 0.10 0.93 0.77 0.02 0.00 0.00 177.57 179.24 1nqt h SER 381 N -1.00 0.00 -0.02 0.57 4.64 -0.45 3.46 113.55 120.76 1nqt h SER 381 Ca -0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1nqt h SER 381 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1nqt h SER 381 CO 0.07 0.00 -0.20 0.22 -0.87 0.00 0.00 176.83 176.05 1nqt h TYR 382 N 0.00 0.24 0.00 4.77 -0.00 -1.31 -2.75 116.97 117.91 1nqt h TYR 382 Ca 0.01 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.73 58.60 1nqt h TYR 382 Cb 1.88 -0.03 -0.00 0.00 -0.00 0.00 0.00 36.73 38.57 1nqt h TYR 382 CO 0.00 0.86 -0.11 0.74 -0.00 0.00 0.00 178.16 179.65 1nqt h PHE 383 N -0.46 0.00 -0.18 -3.82 0.05 0.64 -0.72 116.94 112.45 1nqt h PHE 383 Ca -0.02 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.62 1nqt h PHE 383 Cb 0.90 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.85 1nqt h PHE 383 CO 0.16 0.11 -0.50 1.49 -0.18 0.00 0.00 178.31 179.40 1nqt h GLU 384 N 0.00 0.50 -0.33 1.51 4.81 -1.32 0.25 114.58 119.99 1nqt h GLU 384 Ca -0.00 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 1nqt h GLU 384 Cb 0.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1nqt h GLU 384 CO 0.01 0.88 -0.29 2.35 -0.73 0.00 0.00 179.01 181.24 1nqt h TRP 385 N 0.39 0.79 -0.03 0.92 7.01 -0.94 -2.27 115.95 121.82 1nqt h TRP 385 Ca 0.02 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.81 1nqt h TRP 385 Cb 1.02 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1nqt h TRP 385 CO 0.04 0.90 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.48 1nqt h LEU 386 N 0.59 0.09 -0.94 0.65 3.38 -0.86 -2.55 115.31 115.67 1nqt h LEU 386 Ca 0.07 -0.50 0.28 0.00 0.09 0.00 0.00 57.88 57.81 1nqt h LEU 386 Cb 0.79 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 1nqt h LEU 386 CO 0.06 0.57 0.36 0.50 0.09 0.00 0.00 178.44 180.03 1nqt h LYS 387 N -0.40 0.23 -0.03 1.13 3.64 -0.83 1.11 116.57 121.42 1nqt h LYS 387 Ca 0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1nqt h LYS 387 Cb 0.55 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1nqt h LYS 387 CO 0.01 0.15 -0.56 -0.91 -2.27 0.00 0.00 179.45 175.87 1nqt h ASN 388 N 0.23 0.11 1.25 4.20 2.35 -1.27 -0.86 115.58 121.59 1nqt h ASN 388 Ca 0.63 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 56.19 1nqt h ASN 388 Cb 1.37 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 1nqt h ASN 388 CO -0.66 0.65 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.06 1nqt h LEU 389 N 0.07 0.00 0.00 1.61 3.38 0.13 -3.26 115.31 117.25 1nqt h LEU 389 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1nqt h LEU 389 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1nqt h LEU 389 CO 0.08 0.64 -0.83 0.78 0.09 0.00 0.00 178.44 179.19 1nqt h ASN 390 N 0.00 0.00 -2.45 -0.43 2.35 0.55 -3.48 115.58 112.12 1nqt h ASN 390 Ca -0.01 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.34 1nqt h ASN 390 Cb 1.43 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.75 1nqt h ASN 390 CO 0.08 0.33 -0.48 1.41 -1.65 0.00 0.00 177.43 177.12 1nqt n HIS 391 N -2.97 -0.75 -3.65 1.19 8.25 -0.35 -4.98 115.22 111.95 1nqt n HIS 391 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1nqt n HIS 391 Cb 0.69 -3.74 -0.08 0.00 1.12 0.00 0.00 29.99 27.99 1nqt n HIS 391 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1nqt s VAL 392 N -2.94 0.02 0.19 1.59 -7.23 -1.25 -5.10 120.40 105.69 1nqt s VAL 392 Ca 0.00 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.71 1nqt s VAL 392 Cb 0.00 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 1nqt s VAL 392 CO 0.00 -0.09 1.23 -0.94 -0.31 0.00 0.00 175.10 174.99 1nqt s SER 393 N -0.79 7.04 -0.17 4.85 1.04 -1.26 -4.84 113.70 119.56 1nqt s SER 393 Ca -0.09 2.28 -0.37 0.00 0.48 0.00 0.00 55.95 58.25 1nqt s SER 393 Cb -0.03 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.35 1nqt s SER 393 CO 0.05 -0.41 1.81 -1.22 0.98 0.00 0.00 173.24 174.45 1nqt n TYR 394 N 2.53 2.19 0.00 5.02 4.02 -1.26 -1.75 117.16 127.92 1nqt n TYR 394 Ca 0.05 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 1nqt n TYR 394 Cb 0.44 -2.57 0.00 0.00 -0.02 0.00 0.00 39.34 37.20 1nqt n TYR 394 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqt n GLY 395 N 4.27 1.91 0.33 2.72 0.00 -1.26 -4.12 105.19 109.05 1nqt n GLY 395 Ca 0.24 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.47 1nqt n GLY 395 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 396 N 3.29 0.29 0.00 1.61 1.12 -1.73 -1.21 114.38 117.75 1nqt h ARG 396 Ca 0.00 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.78 1nqt h ARG 396 Cb 0.00 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1nqt h ARG 396 CO 0.00 0.19 -1.36 1.28 -3.11 0.00 0.00 179.97 176.97 1nqt n LEU 397 N -5.10 0.67 -0.04 3.80 4.77 -1.26 -4.66 117.00 115.19 1nqt n LEU 397 Ca 0.29 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.52 1nqt n LEU 397 Cb 0.90 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 1nqt n LEU 397 CO 0.09 -0.02 -0.15 0.00 -1.33 0.00 0.00 177.39 175.97 1nqt h THR 398 N 0.00 0.00 0.00 -5.08 1.03 -1.67 -3.40 112.91 103.78 1nqt h THR 398 Ca -0.08 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 1nqt h THR 398 Cb 1.24 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1nqt h THR 398 CO 0.02 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 176.02 1nqt n PHE 399 N -3.61 0.00 0.06 0.00 0.99 -0.65 0.18 117.46 114.44 1nqt n PHE 399 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.28 1nqt n PHE 399 Cb 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.53 1nqt n PHE 399 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1nqt h LYS 400 N 0.00 -0.55 -0.79 -1.08 1.63 -1.85 0.27 116.57 114.20 1nqt h LYS 400 Ca 0.00 0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.01 1nqt h LYS 400 Cb 0.00 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 31.64 1nqt h LYS 400 CO 0.00 -0.37 0.27 -0.92 -3.45 0.00 0.00 179.45 174.98 1nqt h TYR 401 N -0.58 0.44 -0.20 1.91 3.20 0.17 -0.55 116.97 121.36 1nqt h TYR 401 Ca 0.05 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1nqt h TYR 401 Cb 0.65 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1nqt h TYR 401 CO -0.41 -0.04 -0.02 1.49 -1.64 0.00 0.00 178.16 177.54 1nqt h GLU 402 N 0.35 0.37 0.00 1.82 4.22 -0.71 -0.83 114.58 119.81 1nqt h GLU 402 Ca 0.46 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.77 1nqt h GLU 402 Cb 0.79 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1nqt h GLU 402 CO -0.49 0.59 -0.02 -0.09 -2.18 0.00 0.00 179.01 176.82 1nqt h ARG 403 N 0.12 0.00 0.03 1.92 2.43 0.41 0.00 114.38 119.29 1nqt h ARG 403 Ca 0.06 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1nqt h ARG 403 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1nqt h ARG 403 CO 0.01 0.02 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.03 1nqt h ASP 404 N 0.00 -0.04 -0.62 -3.80 3.45 -0.75 -3.14 116.42 111.51 1nqt h ASP 404 Ca -0.00 -0.64 0.13 0.00 0.43 0.00 0.00 57.03 56.95 1nqt h ASP 404 Cb 0.03 0.01 -0.12 0.00 -0.56 0.00 0.00 39.33 38.70 1nqt h ASP 404 CO 0.00 0.73 -0.13 0.28 -1.57 0.00 0.00 179.24 178.55 1nqt h SER 405 N -0.92 -0.54 -0.67 6.45 0.02 -0.78 -0.29 113.55 116.83 1nqt h SER 405 Ca -0.00 0.18 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1nqt h SER 405 Cb 0.68 0.37 -0.07 0.00 0.14 0.00 0.00 62.40 63.51 1nqt h SER 405 CO 0.01 -0.20 0.30 0.78 -1.14 0.00 0.00 176.83 176.58 1nqt h ASN 406 N 0.01 0.35 -0.37 3.07 -0.26 -1.09 -0.66 115.58 116.63 1nqt h ASN 406 Ca 0.30 0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 56.03 1nqt h ASN 406 Cb 0.47 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1nqt h ASN 406 CO -0.63 0.20 -0.09 1.88 -1.06 0.00 0.00 177.43 177.73 1nqt h TYR 407 N 0.51 0.81 -0.10 1.19 0.05 -1.06 -2.44 116.97 115.93 1nqt h TYR 407 Ca 0.34 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 58.97 1nqt h TYR 407 Cb 0.39 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1nqt h TYR 407 CO -0.14 0.87 0.12 0.45 -1.05 0.00 0.00 178.16 178.41 1nqt h HIS 408 N 0.52 0.00 0.32 4.88 3.86 -0.27 0.27 115.15 124.74 1nqt h HIS 408 Ca 0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nqt h HIS 408 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1nqt h HIS 408 CO 0.05 0.00 -0.16 -0.07 0.86 0.00 0.00 177.93 178.62 1nqt h LEU 409 N 0.00 -0.37 -0.51 2.43 -0.00 -0.72 -2.86 115.31 113.28 1nqt h LEU 409 Ca 0.05 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.01 1nqt h LEU 409 Cb 0.28 0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 40.94 1nqt h LEU 409 CO -0.00 0.03 -0.48 -0.07 -0.00 0.00 0.00 178.44 177.92 1nqt h LEU 410 N -1.01 -1.63 -1.53 1.67 3.38 -0.95 0.08 115.31 115.32 1nqt h LEU 410 Ca -0.04 0.24 0.25 0.00 0.09 0.00 0.00 57.88 58.42 1nqt h LEU 410 Cb 0.33 0.71 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1nqt h LEU 410 CO 0.07 -0.36 0.66 0.24 0.09 0.00 0.00 178.44 179.14 1nqt h MET 411 N -0.29 0.32 -0.23 1.13 2.86 -0.60 0.20 114.93 118.32 1nqt h MET 411 Ca 0.14 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1nqt h MET 411 Cb 0.57 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1nqt h MET 411 CO -0.65 0.21 -0.37 0.77 1.06 0.00 0.00 176.91 177.93 1nqt h SER 412 N 0.33 0.73 0.22 1.22 0.02 -0.76 -0.11 113.55 115.20 1nqt h SER 412 Ca 0.53 -0.52 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1nqt h SER 412 Cb 1.46 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1nqt h SER 412 CO -0.20 1.11 -0.17 0.58 -1.14 0.00 0.00 176.83 177.02 1nqt h VAL 413 N 0.37 0.98 0.00 2.27 2.07 -0.11 0.11 116.25 121.94 1nqt h VAL 413 Ca 0.02 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1nqt h VAL 413 Cb 0.96 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1nqt h VAL 413 CO 0.09 0.16 -0.06 -0.61 0.02 0.00 0.00 177.57 177.17 1nqt h GLN 414 N 0.00 0.00 -0.92 1.57 4.15 -0.53 -2.90 115.11 116.48 1nqt h GLN 414 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1nqt h GLN 414 Cb 0.32 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 1nqt h GLN 414 CO 0.02 0.60 0.60 1.49 -1.93 0.00 0.00 178.83 179.61 1nqt h GLU 415 N -1.00 1.00 -0.30 1.69 4.81 -0.91 -0.04 114.58 119.82 1nqt h GLU 415 Ca -0.01 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1nqt h GLU 415 Cb 0.62 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1nqt h GLU 415 CO -0.01 0.66 -0.39 1.03 -0.73 0.00 0.00 179.01 179.57 1nqt h SER 416 N 1.03 0.86 -0.24 1.04 0.87 -0.92 -2.41 113.55 113.78 1nqt h SER 416 Ca 0.40 -0.50 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 1nqt h SER 416 Cb 0.24 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1nqt h SER 416 CO -0.16 1.19 -0.14 -0.07 -0.53 0.00 0.00 176.83 177.12 1nqt h LEU 417 N 0.55 0.64 -1.77 2.23 4.07 -1.19 -2.39 115.31 117.46 1nqt h LEU 417 Ca 0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 1nqt h LEU 417 Cb 0.98 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.54 1nqt h LEU 417 CO 0.09 0.80 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.78 1nqt h GLU 418 N 0.59 0.00 0.00 1.13 5.08 -0.92 -1.74 114.58 118.72 1nqt h GLU 418 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nqt h GLU 418 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1nqt h GLU 418 CO 0.04 0.14 0.00 0.54 -1.00 0.00 0.00 179.01 178.73 1nqt n ARG 419 N -3.60 0.10 -1.57 2.33 1.74 -0.90 -1.54 116.66 113.21 1nqt n ARG 419 Ca -0.01 0.23 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 1nqt n ARG 419 Cb 0.27 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 1nqt n ARG 419 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1nqt n LYS 420 N -1.38 3.00 0.00 5.56 -0.00 -0.65 -4.83 118.16 119.86 1nqt n LYS 420 Ca 0.05 -3.62 0.00 0.00 -0.00 0.00 0.00 58.31 54.74 1nqt n LYS 420 Cb 0.12 -2.26 0.00 0.00 -0.00 0.00 0.00 35.03 32.88 1nqt n LYS 420 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1nqt n PHE 421 N -0.85 0.00 -0.44 5.58 -0.00 -0.59 -5.09 117.46 116.07 1nqt n PHE 421 Ca 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.89 1nqt n PHE 421 Cb 0.82 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 40.25 1nqt n PHE 421 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 422 N 0.00 -0.14 3.64 7.13 0.00 -1.26 -4.75 105.19 109.81 1nqt n GLY 422 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1nqt n GLY 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nqt s LYS 423 N 2.40 0.05 -0.23 1.61 2.20 -1.26 -5.04 119.74 119.47 1nqt s LYS 423 Ca 0.39 -0.01 0.16 0.00 -0.36 0.00 0.00 55.97 56.15 1nqt s LYS 423 Cb -0.32 0.02 0.47 0.00 -1.51 0.00 0.00 37.83 36.49 1nqt s LYS 423 CO 0.15 -0.02 1.16 -2.39 -0.36 0.00 0.00 175.35 173.89 1nqt n HIS 424 N 0.13 1.49 0.00 4.03 1.44 -1.26 -4.77 115.22 116.28 1nqt n HIS 424 Ca 0.04 -1.89 0.00 0.00 -2.01 0.00 0.00 57.72 53.86 1nqt n HIS 424 Cb 0.57 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.42 1nqt n HIS 424 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nqt n GLY 425 N -0.56 0.00 0.12 -1.39 0.00 -1.26 -5.06 105.19 97.04 1nqt n GLY 425 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1nqt n GLY 425 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nqt h GLY 426 N 0.00 0.32 -6.35 -0.02 0.00 -1.92 -3.44 103.07 91.66 1nqt h GLY 426 Ca 0.00 -0.55 -0.60 0.00 0.00 0.00 0.00 47.33 46.18 1nqt h GLY 426 CO 0.00 0.48 -0.47 -1.59 0.00 0.00 0.00 176.54 174.96 1nqt s THR 427 N -3.23 5.39 -0.74 4.70 2.01 -1.26 -5.06 115.64 117.45 1nqt s THR 427 Ca -0.15 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1nqt s THR 427 Cb 0.02 -3.49 0.31 0.00 0.01 0.00 0.00 72.50 69.35 1nqt s THR 427 CO 0.78 0.42 1.12 -0.38 -0.69 0.00 0.00 174.62 175.87 1nqt n ILE 428 N 3.64 3.74 0.33 1.82 2.08 -1.26 -4.82 119.36 124.89 1nqt n ILE 428 Ca -0.15 -5.61 0.15 0.00 0.56 0.00 0.00 62.75 57.70 1nqt n ILE 428 Cb 0.52 -1.71 0.54 0.00 -0.75 0.00 0.00 39.64 38.24 1nqt n ILE 428 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1nqt h PRO 429 N 3.85 0.00 0.00 0.38 0.11 -1.90 -3.17 132.00 131.27 1nqt h PRO 429 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1nqt h PRO 429 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1nqt h PRO 429 CO 0.96 0.00 0.23 0.44 -0.21 0.00 0.00 178.00 179.42 1nqt n ILE 430 N -2.81 0.77 -3.60 4.15 -5.35 -1.26 -4.43 119.36 106.83 1nqt n ILE 430 Ca 0.02 0.42 -0.40 0.00 -0.27 0.00 0.00 62.75 62.53 1nqt n ILE 430 Cb 0.33 -1.42 -0.11 0.00 -1.74 0.00 0.00 39.64 36.69 1nqt n ILE 430 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nqt s VAL 431 N -2.30 4.76 0.40 7.28 0.11 -1.20 -4.87 120.40 124.58 1nqt s VAL 431 Ca 0.00 -0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 1nqt s VAL 431 Cb 0.00 -3.53 -0.10 0.00 -1.53 0.00 0.00 36.38 31.23 1nqt s VAL 431 CO 0.00 -0.08 1.43 -2.84 -3.33 0.00 0.00 175.10 170.28 1nqt s PRO 432 N 1.62 3.99 0.30 1.54 0.02 -1.26 -4.95 135.00 136.26 1nqt s PRO 432 Ca 0.04 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 1nqt s PRO 432 Cb -0.18 -2.86 -0.13 0.00 0.02 0.00 0.00 34.50 31.35 1nqt s PRO 432 CO 0.07 -0.58 1.40 0.25 -0.33 0.00 0.00 177.00 177.81 1nqt n THR 433 N 0.26 1.45 -0.26 0.99 -2.24 -1.26 -4.54 114.28 108.69 1nqt n THR 433 Ca 0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1nqt n THR 433 Cb 0.41 -1.62 0.04 0.00 -2.10 0.00 0.00 70.33 67.05 1nqt n THR 433 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqt n ALA 434 N 1.22 -0.04 0.10 6.98 0.00 -1.26 0.13 120.51 127.64 1nqt n ALA 434 Ca 0.08 0.70 0.05 0.00 0.00 0.00 0.00 53.44 54.27 1nqt n ALA 434 Cb 0.35 -0.34 0.49 0.00 0.00 0.00 0.00 19.45 19.95 1nqt n ALA 434 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nqt h GLU 435 N 0.00 0.33 -0.26 0.00 3.07 -1.99 -1.37 114.58 114.36 1nqt h GLU 435 Ca 0.26 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1nqt h GLU 435 Cb 0.43 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1nqt h GLU 435 CO -0.69 0.25 -0.34 0.35 -1.40 0.00 0.00 179.01 177.17 1nqt h PHE 436 N 0.34 0.84 -0.31 4.33 -0.00 0.80 -2.34 116.94 120.60 1nqt h PHE 436 Ca 0.09 -0.27 -0.08 0.00 -0.00 0.00 0.00 57.97 57.71 1nqt h PHE 436 Cb 0.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 35.78 1nqt h PHE 436 CO 0.00 1.03 -0.13 0.37 -0.00 0.00 0.00 178.31 179.58 1nqt h GLN 437 N 0.41 0.54 0.00 1.11 5.75 -0.66 -0.61 115.11 121.64 1nqt h GLN 437 Ca 0.03 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1nqt h GLN 437 Cb 0.93 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.42 1nqt h GLN 437 CO 0.08 0.66 -0.03 -0.44 -2.65 0.00 0.00 178.83 176.45 1nqt h ASP 438 N 0.49 0.00 0.14 -0.69 3.32 -1.11 -0.21 116.42 118.37 1nqt h ASP 438 Ca 0.09 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.80 1nqt h ASP 438 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1nqt h ASP 438 CO 0.03 0.03 -1.76 -0.09 -1.72 0.00 0.00 179.24 175.74 1nqt h ARG 439 N 0.00 0.30 0.00 3.56 2.43 -0.87 -3.16 114.38 116.64 1nqt h ARG 439 Ca -0.00 -0.52 -0.08 0.00 -0.81 0.00 0.00 59.98 58.57 1nqt h ARG 439 Cb 0.58 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1nqt h ARG 439 CO 0.00 1.25 -0.37 0.82 -1.51 0.00 0.00 179.97 180.16 1nqt h ILE 440 N -0.03 1.20 0.11 1.20 2.04 -0.99 -0.88 117.51 120.16 1nqt h ILE 440 Ca -0.37 -1.31 -0.27 0.00 1.00 0.00 0.00 64.86 63.91 1nqt h ILE 440 Cb 1.98 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1nqt h ILE 440 CO 0.11 0.37 -1.26 0.77 0.00 0.00 0.00 178.15 178.13 1nqt h SER 441 N 0.00 0.38 -0.31 1.72 4.64 -1.18 -3.35 113.55 115.44 1nqt h SER 441 Ca -0.00 -0.42 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1nqt h SER 441 Cb 0.69 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1nqt h SER 441 CO 0.05 1.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.95 1nqt n GLY 442 N 1.53 4.33 3.65 -0.77 0.00 -1.14 -5.04 105.19 107.76 1nqt n GLY 442 Ca -0.09 -1.10 -0.48 0.00 0.00 0.00 0.00 46.02 44.35 1nqt n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt n ALA 443 N -0.74 0.60 -3.76 4.61 0.00 -0.35 -4.98 120.51 115.90 1nqt n ALA 443 Ca 0.26 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 54.03 1nqt n ALA 443 Cb 0.97 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1nqt n ALA 443 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nqt n SER 444 N 3.53 -0.64 -0.01 0.00 7.64 -1.26 -5.06 113.62 117.81 1nqt n SER 444 Ca 0.18 -2.36 -0.12 0.00 1.01 0.00 0.00 58.87 57.59 1nqt n SER 444 Cb 0.25 1.33 -0.07 0.00 -1.01 0.00 0.00 64.21 64.72 1nqt n SER 444 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1nqt h GLU 445 N 0.00 0.13 -0.91 1.43 4.81 -1.94 -2.90 114.58 115.19 1nqt h GLU 445 Ca -0.16 -0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.28 1nqt h GLU 445 Cb 0.78 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.98 1nqt h GLU 445 CO 0.23 0.30 0.06 1.57 -0.73 0.00 0.00 179.01 180.44 1nqt h LYS 446 N -0.06 0.06 -0.96 1.92 2.10 -1.91 0.44 116.57 118.16 1nqt h LYS 446 Ca 0.03 -0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.83 1nqt h LYS 446 Cb 0.22 -0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 31.45 1nqt h LYS 446 CO -0.00 0.04 0.61 -0.44 -2.00 0.00 0.00 179.45 177.66 1nqt h ASP 447 N 0.07 0.75 0.19 7.07 3.32 -1.86 1.06 116.42 127.02 1nqt h ASP 447 Ca 0.55 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.65 1nqt h ASP 447 Cb 1.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1nqt h ASP 447 CO -0.81 0.34 -0.09 0.40 -1.72 0.00 0.00 179.24 177.36 1nqt h ILE 448 N 0.78 0.82 -0.36 0.35 1.08 -0.24 -2.63 117.51 117.32 1nqt h ILE 448 Ca 0.51 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 64.05 1nqt h ILE 448 Cb 0.76 1.34 -0.09 0.00 -3.07 0.00 0.00 36.82 35.76 1nqt h ILE 448 CO -0.28 0.19 -0.40 0.58 -0.69 0.00 0.00 178.15 177.55 1nqt h VAL 449 N -0.82 0.14 -0.12 1.67 2.07 0.73 0.42 116.25 120.34 1nqt h VAL 449 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1nqt h VAL 449 Cb 0.52 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1nqt h VAL 449 CO 0.04 0.00 -0.11 0.45 0.02 0.00 0.00 177.57 177.97 1nqt h HIS 450 N -0.33 -0.27 -0.38 1.57 3.86 0.92 0.64 115.15 121.16 1nqt h HIS 450 Ca 0.14 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.44 1nqt h HIS 450 Cb 0.58 0.14 -0.09 0.00 1.06 0.00 0.00 27.41 29.10 1nqt h HIS 450 CO -0.58 -0.17 -0.25 1.03 0.86 0.00 0.00 177.93 178.83 1nqt h SER 451 N -0.13 -0.82 -0.89 2.45 0.87 -0.71 0.74 113.55 115.06 1nqt h SER 451 Ca 0.08 0.17 0.10 0.00 -1.23 0.00 0.00 61.79 60.90 1nqt h SER 451 Cb 0.25 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.54 1nqt h SER 451 CO -0.20 -0.27 0.53 1.23 -0.53 0.00 0.00 176.83 177.59 1nqt h GLY 452 N -0.19 1.40 0.63 5.77 0.00 0.32 -1.76 103.07 109.24 1nqt h GLY 452 Ca 0.18 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1nqt h GLY 452 CO -0.49 0.16 -0.18 -2.00 0.00 0.00 0.00 176.54 174.04 1nqt h LEU 453 N 0.89 -0.51 -0.01 3.11 6.46 0.26 -0.35 115.31 125.16 1nqt h LEU 453 Ca 0.43 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.26 1nqt h LEU 453 Cb 0.37 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1nqt h LEU 453 CO -0.24 -0.25 -0.07 0.00 -0.62 0.00 0.00 178.44 177.27 1nqt h ALA 454 N 0.57 -0.53 -0.62 1.25 0.00 0.43 0.67 119.26 121.03 1nqt h ALA 454 Ca 0.04 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1nqt h ALA 454 Cb 0.36 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1nqt h ALA 454 CO -0.14 -0.55 -0.36 0.98 0.00 0.00 0.00 179.25 179.18 1nqt n TYR 455 N -2.88 -0.27 -0.15 0.00 4.19 -0.72 0.55 117.16 117.88 1nqt n TYR 455 Ca -0.01 0.77 -0.08 0.00 3.31 0.00 0.00 57.90 61.89 1nqt n TYR 455 Cb 0.05 -0.53 -0.06 0.00 0.49 0.00 0.00 39.34 39.29 1nqt n TYR 455 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 1nqt h THR 456 N 0.00 0.00 -0.70 2.97 2.02 -0.50 -0.02 112.91 116.69 1nqt h THR 456 Ca 0.10 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.41 1nqt h THR 456 Cb 0.25 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.53 1nqt h THR 456 CO -0.58 0.00 -0.24 0.24 0.37 0.00 0.00 175.52 175.31 1nqt h MET 457 N -0.16 -0.05 0.00 6.66 2.86 0.25 -0.83 114.93 123.66 1nqt h MET 457 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1nqt h MET 457 Cb 0.33 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1nqt h MET 457 CO -0.46 -0.04 0.00 -1.91 1.06 0.00 0.00 176.91 175.57 1nqt n GLU 458 N -5.47 0.00 -0.46 1.72 2.13 0.29 -0.36 120.64 118.49 1nqt n GLU 458 Ca 0.08 0.42 0.38 0.00 0.66 0.00 0.00 57.16 58.70 1nqt n GLU 458 Cb 0.37 -1.35 0.66 0.00 0.27 0.00 0.00 31.44 31.39 1nqt n GLU 458 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1nqt h ARG 459 N 0.00 0.06 -0.07 5.31 2.43 -0.90 0.80 114.38 122.02 1nqt h ARG 459 Ca 0.00 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 1nqt h ARG 459 Cb 0.00 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1nqt h ARG 459 CO 0.00 0.04 -0.75 0.77 -1.51 0.00 0.00 179.97 178.52 1nqt h SER 460 N 0.06 0.77 0.29 -3.80 0.02 -0.90 -2.54 113.55 107.45 1nqt h SER 460 Ca 0.84 -0.69 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1nqt h SER 460 Cb 2.68 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.95 1nqt h SER 460 CO -0.43 1.35 -0.48 0.00 -1.14 0.00 0.00 176.83 176.13 1nqt h ALA 461 N 0.44 -1.05 -0.35 3.77 0.00 0.35 0.14 119.26 122.57 1nqt h ALA 461 Ca -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1nqt h ALA 461 Cb 1.41 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1nqt h ALA 461 CO 0.15 -1.12 -0.21 0.54 0.00 0.00 0.00 179.25 178.61 1nqt n ARG 462 N -5.26 -0.16 -0.31 0.00 5.12 -0.66 0.35 116.66 115.74 1nqt n ARG 462 Ca -0.09 1.12 0.18 0.00 -1.93 0.00 0.00 57.85 57.12 1nqt n ARG 462 Cb 0.40 -1.66 0.34 0.00 -1.16 0.00 0.00 32.46 30.38 1nqt n ARG 462 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nqt n GLN 463 N -3.78 -0.07 -0.08 5.56 6.02 -0.93 0.82 117.38 124.91 1nqt n GLN 463 Ca 0.01 1.36 -0.12 0.00 -0.01 0.00 0.00 57.00 58.24 1nqt n GLN 463 Cb 0.09 -2.23 -0.05 0.00 1.02 0.00 0.00 30.24 29.08 1nqt n GLN 463 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1nqt h ILE 464 N 0.00 1.28 0.00 5.09 2.04 0.20 -2.01 117.51 124.10 1nqt h ILE 464 Ca 0.62 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1nqt h ILE 464 Cb 1.38 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1nqt h ILE 464 CO -0.83 0.32 0.00 0.23 0.00 0.00 0.00 178.15 177.87 1nqt n MET 465 N -4.58 0.00 -0.03 2.37 2.81 0.24 -2.49 117.12 115.44 1nqt n MET 465 Ca -0.04 0.27 -0.01 0.00 -1.81 0.00 0.00 57.70 56.11 1nqt n MET 465 Cb 0.29 -1.13 -0.01 0.00 -0.71 0.00 0.00 33.22 31.66 1nqt n MET 465 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1nqt n ARG 466 N -1.07 -0.04 0.00 0.03 0.63 -0.19 0.39 116.66 116.41 1nqt n ARG 466 Ca 0.00 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1nqt n ARG 466 Cb 0.00 -0.57 0.00 0.00 0.45 0.00 0.00 32.46 32.34 1nqt n ARG 466 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1nqt n THR 467 N -2.84 0.02 0.00 5.15 -1.04 -0.76 0.34 114.28 115.15 1nqt n THR 467 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nqt n THR 467 Cb 0.02 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1nqt n THR 467 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nqt n ALA 468 N 0.58 1.89 0.18 2.41 0.00 1.26 -4.52 120.51 122.32 1nqt n ALA 468 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1nqt n ALA 468 Cb 0.02 0.27 0.10 0.00 0.00 0.00 0.00 19.45 19.84 1nqt n ALA 468 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1nqt h MET 469 N 0.00 0.00 -0.09 0.00 2.86 0.75 0.26 114.93 118.71 1nqt h MET 469 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1nqt h MET 469 Cb 0.62 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1nqt h MET 469 CO 0.00 0.19 -0.77 -0.22 1.06 0.00 0.00 176.91 177.17 1nqt h LYS 470 N 0.00 0.50 -0.76 1.72 3.64 -0.97 -3.12 116.57 117.58 1nqt h LYS 470 Ca -0.01 -0.43 -0.48 0.00 -1.27 0.00 0.00 60.65 58.47 1nqt h LYS 470 Cb 1.16 0.09 -0.27 0.00 -0.41 0.00 0.00 32.23 32.81 1nqt h LYS 470 CO 0.03 1.06 0.23 0.66 -2.27 0.00 0.00 179.45 179.16 1nqt n TYR 471 N -3.85 2.48 -1.94 1.91 0.53 -1.22 -4.94 117.16 110.13 1nqt n TYR 471 Ca -0.05 -2.22 -0.02 0.00 -1.02 0.00 0.00 57.90 54.59 1nqt n TYR 471 Cb 0.73 -0.86 -0.00 0.00 -1.03 0.00 0.00 39.34 38.18 1nqt n TYR 471 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1nqt n ASN 472 N -0.99 -0.70 -4.85 7.72 5.15 -1.08 -4.86 115.26 115.66 1nqt n ASN 472 Ca 0.50 0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 54.40 1nqt n ASN 472 Cb 1.05 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.58 1nqt n ASN 472 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nqt s LEU 473 N -3.41 3.61 0.00 1.20 1.43 0.88 -5.00 118.68 117.39 1nqt s LEU 473 Ca 0.04 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1nqt s LEU 473 Cb -0.02 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1nqt s LEU 473 CO 0.05 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1nqt n GLY 474 N -1.63 0.21 2.15 -3.19 0.00 -1.26 -4.43 105.19 97.05 1nqt n GLY 474 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1nqt n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nqt n LEU 475 N -0.43 4.72 -3.28 0.99 4.32 -1.26 -4.75 117.00 117.31 1nqt n LEU 475 Ca 0.00 -4.77 -0.36 0.00 -0.02 0.00 0.00 56.01 50.85 1nqt n LEU 475 Cb 0.00 -0.33 0.01 0.00 -1.62 0.00 0.00 43.42 41.48 1nqt n LEU 475 CO 0.00 2.09 1.06 -0.67 -1.22 0.00 0.00 177.39 178.65 1nqt n ASP 476 N -0.65 6.51 -0.24 -1.43 2.03 -1.26 -4.49 116.55 117.02 1nqt n ASP 476 Ca 0.41 -3.72 0.02 0.00 0.52 0.00 0.00 54.79 52.03 1nqt n ASP 476 Cb 0.90 -0.96 0.14 0.00 -0.72 0.00 0.00 41.12 40.49 1nqt n ASP 476 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nqt h LEU 477 N 3.61 0.37 0.00 -2.67 4.07 -1.86 -1.84 115.31 116.99 1nqt h LEU 477 Ca 0.43 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.46 1nqt h LEU 477 Cb 0.36 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1nqt h LEU 477 CO 1.11 0.20 0.00 0.54 -1.08 0.00 0.00 178.44 179.21 1nqt n ARG 478 N -4.93 0.00 -0.07 1.13 1.74 -1.26 -1.84 116.66 111.44 1nqt n ARG 478 Ca 0.11 0.31 0.25 0.00 -0.77 0.00 0.00 57.85 57.75 1nqt n ARG 478 Cb 0.31 -0.98 0.68 0.00 -1.02 0.00 0.00 32.46 31.45 1nqt n ARG 478 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1nqt h THR 479 N 0.00 0.30 0.00 0.55 1.35 -1.94 2.59 112.91 115.76 1nqt h THR 479 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1nqt h THR 479 Cb 0.00 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1nqt h THR 479 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1nqt n ALA 480 N -2.41 2.22 -0.05 6.62 0.00 -0.70 -1.07 120.51 125.13 1nqt n ALA 480 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 1nqt n ALA 480 Cb 0.95 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 1nqt n ALA 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt n ALA 481 N -1.31 0.42 -0.34 0.00 0.00 0.86 -3.45 120.51 116.70 1nqt n ALA 481 Ca 0.11 -0.49 0.21 0.00 0.00 0.00 0.00 53.44 53.28 1nqt n ALA 481 Cb 0.20 0.01 0.45 0.00 0.00 0.00 0.00 19.45 20.12 1nqt n ALA 481 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1nqt h TYR 482 N -0.57 0.88 0.39 0.00 0.99 -1.32 0.99 116.97 118.34 1nqt h TYR 482 Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1nqt h TYR 482 Cb 0.48 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 37.95 1nqt h TYR 482 CO -0.21 -0.00 -0.34 0.28 -0.00 0.00 0.00 178.16 177.89 1nqt h VAL 483 N 0.45 0.30 -0.68 -2.88 2.07 -1.29 -0.44 116.25 113.78 1nqt h VAL 483 Ca 0.66 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.30 1nqt h VAL 483 Cb 1.47 0.30 -0.12 0.00 -1.52 0.00 0.00 31.29 31.41 1nqt h VAL 483 CO -0.45 0.00 -0.35 -1.13 0.02 0.00 0.00 177.57 175.66 1nqt h ASN 484 N -0.74 -1.23 0.01 0.57 -1.24 0.85 -0.89 115.58 112.90 1nqt h ASN 484 Ca -0.03 0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1nqt h ASN 484 Cb 0.65 0.62 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 1nqt h ASN 484 CO -0.03 -0.30 -0.06 0.00 -1.29 0.00 0.00 177.43 175.75 1nqt h ALA 485 N 1.07 -0.57 -1.26 1.57 0.00 -0.12 -2.19 119.26 117.77 1nqt h ALA 485 Ca 0.26 -0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.56 1nqt h ALA 485 Cb 0.56 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1nqt h ALA 485 CO -0.75 -0.59 0.80 0.82 0.00 0.00 0.00 179.25 179.54 1nqt h ILE 486 N -0.08 0.18 -0.26 0.00 1.08 -0.47 1.80 117.51 119.77 1nqt h ILE 486 Ca 0.00 -0.05 -0.08 0.00 -0.39 0.00 0.00 64.86 64.34 1nqt h ILE 486 Cb 0.08 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 1nqt h ILE 486 CO -0.04 0.02 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.17 1nqt h GLU 487 N 0.14 0.46 0.16 2.37 4.81 -0.58 -0.19 114.58 121.75 1nqt h GLU 487 Ca 0.78 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 1nqt h GLU 487 Cb 2.38 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.72 1nqt h GLU 487 CO -0.42 0.65 -0.08 0.87 -0.73 0.00 0.00 179.01 179.30 1nqt h LYS 488 N 0.42 -0.21 -0.86 1.92 1.57 0.31 -2.22 116.57 117.50 1nqt h LYS 488 Ca 0.07 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.09 1nqt h LYS 488 Cb 0.59 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1nqt h LYS 488 CO 0.04 -0.14 0.60 0.28 -0.57 0.00 0.00 179.45 179.66 1nqt h VAL 489 N -1.03 0.62 -0.03 0.50 2.07 -0.87 -1.02 116.25 116.49 1nqt h VAL 489 Ca -0.02 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1nqt h VAL 489 Cb 0.17 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1nqt h VAL 489 CO 0.04 0.03 -0.25 0.15 0.02 0.00 0.00 177.57 177.56 1nqt h PHE 490 N 0.17 0.31 -0.10 1.57 3.57 -1.08 -3.16 116.94 118.22 1nqt h PHE 490 Ca 0.43 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1nqt h PHE 490 Cb 1.42 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 1nqt h PHE 490 CO -0.00 0.89 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.64 1nqt h LYS 491 N -0.36 -0.07 -0.19 1.11 3.64 -0.53 0.12 116.57 120.31 1nqt h LYS 491 Ca -0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1nqt h LYS 491 Cb 0.94 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1nqt h LYS 491 CO 0.05 -0.04 -0.11 0.28 -2.27 0.00 0.00 179.45 177.36 1nqt n VAL 492 N -3.28 -0.13 0.02 2.00 0.31 -1.10 0.11 118.33 116.27 1nqt n VAL 492 Ca -0.01 0.80 -0.02 0.00 -0.01 0.00 0.00 64.34 65.11 1nqt n VAL 492 Cb 0.07 -1.02 -0.01 0.00 -0.91 0.00 0.00 33.84 31.96 1nqt n VAL 492 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1nqt h TYR 493 N 0.00 -0.15 -0.84 3.52 0.05 -1.40 -2.77 116.97 115.37 1nqt h TYR 493 Ca 0.03 0.00 0.29 0.00 0.05 0.00 0.00 58.73 59.10 1nqt h TYR 493 Cb 0.08 0.06 -0.15 0.00 1.01 0.00 0.00 36.73 37.72 1nqt h TYR 493 CO -0.41 -0.07 0.23 -1.71 -1.05 0.00 0.00 178.16 175.15 1nqt n ASN 494 N -2.67 0.10 -0.45 3.88 4.05 0.38 0.10 115.26 120.66 1nqt n ASN 494 Ca -0.01 1.41 0.00 0.00 0.45 0.00 0.00 54.58 56.43 1nqt n ASN 494 Cb 0.05 -0.60 0.00 0.00 1.23 0.00 0.00 39.78 40.46 1nqt n ASN 494 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1nqt n GLU 495 N -5.06 0.87 0.00 1.20 -0.58 0.31 -4.14 120.64 113.24 1nqt n GLU 495 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1nqt n GLU 495 Cb 0.86 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1nqt n GLU 495 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nqt n ALA 496 N 0.01 2.00 0.00 0.62 0.00 0.28 -5.03 120.51 118.39 1nqt n ALA 496 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nqt n ALA 496 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1nqt n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqt n GLY 497 N 0.59 -0.97 0.00 0.00 0.00 -0.12 -4.12 105.19 100.56 1nqt n GLY 497 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1nqt n GLY 497 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nqt n VAL 498 N 0.00 0.00 0.02 1.61 0.24 -1.26 -4.68 118.33 114.26 1nqt n VAL 498 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1nqt n VAL 498 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 1nqt n VAL 498 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1nqt h THR 499 N 0.00 0.83 -2.05 3.34 1.35 -2.03 -3.28 112.91 111.07 1nqt h THR 499 Ca 0.00 -2.54 -0.73 0.00 -0.55 0.00 0.00 66.41 62.60 1nqt h THR 499 Cb 0.00 2.59 -0.31 0.00 -1.73 0.00 0.00 68.15 68.70 1nqt h THR 499 CO 0.00 0.80 0.53 0.49 -0.25 0.00 0.00 175.52 177.10 1nqt n PHE 500 N -3.41 3.13 1.96 4.73 3.01 -1.26 -5.27 117.46 120.35 1nqt n PHE 500 Ca -0.25 -2.76 0.16 0.00 1.01 0.00 0.00 57.45 55.61 1nqt n PHE 500 Cb 1.05 -0.92 0.92 0.00 -0.01 0.00 0.00 39.48 40.52 1nqt n PHE 500 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40