#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nir h ALA 7 N 0.00 1.06 0.00 0.00 0.00 -2.03 -1.43 119.26 116.86 1nir h ALA 7 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1nir h ALA 7 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nir h ALA 7 CO 0.00 0.32 -0.52 0.93 0.00 0.00 0.00 179.25 179.98 1nir h GLU 8 N 0.00 0.00 0.00 0.00 5.08 -2.04 -2.34 114.58 115.28 1nir h GLU 8 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1nir h GLU 8 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1nir h GLU 8 CO 0.03 0.52 -1.40 1.96 -1.00 0.00 0.00 179.01 179.12 1nir h GLN 9 N 0.00 0.00 -0.00 2.33 1.08 -1.90 -3.09 115.11 113.53 1nir h GLN 9 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1nir h GLN 9 Cb 1.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1nir h GLN 9 CO 0.07 0.30 0.00 -0.92 -0.95 0.00 0.00 178.83 177.33 1nir h TYR 10 N 0.00 0.00 -0.80 2.96 3.20 -1.17 -3.09 116.97 118.07 1nir h TYR 10 Ca -0.16 -0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.34 1nir h TYR 10 Cb 1.59 -0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.64 1nir h TYR 10 CO 0.00 0.29 0.47 1.04 -1.64 0.00 0.00 178.16 178.32 1nir n GLN 11 N -4.95 2.50 0.00 1.82 6.02 -0.89 -4.56 117.38 117.32 1nir n GLN 11 Ca -0.08 -2.63 0.11 0.00 -0.01 0.00 0.00 57.00 54.39 1nir n GLN 11 Cb 0.16 -2.05 0.06 0.00 1.02 0.00 0.00 30.24 29.43 1nir n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nir n GLY 12 N -0.67 -0.91 3.80 1.08 0.00 -1.17 -4.98 105.19 102.35 1nir n GLY 12 Ca 0.47 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1nir n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir s ALA 13 N -2.88 2.39 0.48 4.61 0.00 -1.26 -5.00 121.76 120.10 1nir s ALA 13 Ca 0.12 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 1nir s ALA 13 Cb 0.17 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1nir s ALA 13 CO 0.74 -1.56 1.25 0.00 0.00 0.00 0.00 175.76 176.19 1nir s ALA 14 N -3.03 2.96 0.52 0.00 0.00 -1.26 -4.99 121.76 115.96 1nir s ALA 14 Ca 0.60 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.46 1nir s ALA 14 Cb -0.15 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1nir s ALA 14 CO 0.55 -0.93 1.16 0.45 0.00 0.00 0.00 175.76 176.99 1nir s SER 15 N -1.13 5.82 0.37 0.00 0.15 -1.26 -4.91 113.70 112.74 1nir s SER 15 Ca 0.65 2.27 0.28 0.00 0.70 0.00 0.00 55.95 59.85 1nir s SER 15 Cb -0.34 -2.59 1.08 0.00 -1.71 0.00 0.00 66.02 62.45 1nir s SER 15 CO 0.41 -1.15 1.81 0.00 1.20 0.00 0.00 173.24 175.51 1nir h ALA 16 N 1.50 1.00 -2.60 5.45 0.00 -2.07 -3.44 119.26 119.10 1nir h ALA 16 Ca -0.50 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.89 1nir h ALA 16 Cb 1.26 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.10 1nir h ALA 16 CO 0.58 0.00 0.97 0.08 0.00 0.00 0.00 179.25 180.88 1nir s VAL 17 N -3.42 2.44 -0.30 0.00 1.01 -1.26 -4.95 120.40 113.91 1nir s VAL 17 Ca 0.04 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 1nir s VAL 17 Cb 0.09 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1nir s VAL 17 CO 0.48 0.02 0.83 -0.62 0.00 0.00 0.00 175.10 175.80 1nir s ASP 18 N 1.46 6.71 0.43 3.32 2.15 -1.26 -4.95 116.67 124.53 1nir s ASP 18 Ca 0.73 0.74 0.17 0.00 0.43 0.00 0.00 52.55 54.63 1nir s ASP 18 Cb -0.46 -2.43 1.09 0.00 -0.30 0.00 0.00 42.92 40.82 1nir s ASP 18 CO 0.32 -0.64 1.88 -0.65 -0.17 0.00 0.00 175.17 175.91 1nir h PRO 19 N 8.08 0.38 0.00 4.34 0.11 -1.94 -1.11 132.00 141.86 1nir h PRO 19 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1nir h PRO 19 Cb 1.09 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1nir h PRO 19 CO 0.90 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.94 1nir h ALA 20 N 1.62 1.00 -0.02 -0.75 0.00 -2.03 -2.49 119.26 116.59 1nir h ALA 20 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1nir h ALA 20 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nir h ALA 20 CO -0.15 0.00 -0.16 0.72 0.00 0.00 0.00 179.25 179.66 1nir n HIS 21 N -2.99 0.00 -3.16 0.00 8.25 -0.42 -4.84 115.22 112.06 1nir n HIS 21 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1nir n HIS 21 Cb 0.22 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 1nir n HIS 21 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nir s VAL 22 N -2.08 4.97 -0.15 1.59 1.01 -0.94 -5.05 120.40 119.75 1nir s VAL 22 Ca 0.24 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.88 1nir s VAL 22 Cb 0.19 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1nir s VAL 22 CO 0.38 -0.12 0.11 0.68 0.00 0.00 0.00 175.10 176.15 1nir s VAL 23 N 2.52 5.28 -0.04 2.92 -7.23 -1.26 -5.00 120.40 117.59 1nir s VAL 23 Ca 0.23 0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 60.31 1nir s VAL 23 Cb -0.15 -3.35 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 1nir s VAL 23 CO 0.12 0.53 0.65 -0.60 -0.31 0.00 0.00 175.10 175.49 1nir s ARG 24 N -0.32 4.39 0.03 4.82 3.52 -1.26 -5.06 118.95 125.07 1nir s ARG 24 Ca 0.11 0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 56.40 1nir s ARG 24 Cb -0.12 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.82 1nir s ARG 24 CO 0.01 0.21 0.38 0.99 -0.81 0.00 0.00 175.30 176.08 1nir s THR 25 N 0.32 5.11 -5.00 4.11 2.01 -1.26 -5.03 115.64 115.90 1nir s THR 25 Ca 0.34 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1nir s THR 25 Cb -0.18 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1nir s THR 25 CO 0.18 0.44 0.00 -3.20 -0.69 0.00 0.00 174.62 171.35 1nir n ASN 26 N 1.38 0.00 0.00 3.53 2.85 -1.26 -5.02 115.26 116.74 1nir n ASN 26 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1nir n ASN 26 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1nir n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nir n GLY 27 N -0.15 1.28 3.86 8.20 0.00 -1.26 -5.11 105.19 112.01 1nir n GLY 27 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nir n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir s ALA 28 N -2.00 3.30 -0.03 4.61 0.00 -1.26 -5.03 121.76 121.35 1nir s ALA 28 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1nir s ALA 28 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 1nir s ALA 28 CO 0.00 0.16 1.69 -2.14 0.00 0.00 0.00 175.76 175.47 1nir s PRO 29 N -3.37 4.18 0.35 0.00 0.02 -1.26 -4.96 135.00 129.96 1nir s PRO 29 Ca 0.54 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.53 1nir s PRO 29 Cb -0.10 -3.96 -0.12 0.00 0.02 0.00 0.00 34.50 30.35 1nir s PRO 29 CO 0.23 -0.84 1.42 -0.25 -0.33 0.00 0.00 177.00 177.23 1nir n ASP 30 N 6.97 3.33 -3.75 2.53 8.00 -1.26 -4.91 116.55 127.46 1nir n ASP 30 Ca 0.17 1.21 -0.12 0.00 0.71 0.00 0.00 54.79 56.76 1nir n ASP 30 Cb 0.42 -1.55 -0.12 0.00 -0.02 0.00 0.00 41.12 39.85 1nir n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nir s MET 31 N -1.74 0.31 1.23 -1.24 0.23 -1.26 -5.12 119.30 111.71 1nir s MET 31 Ca 0.56 0.50 -0.16 0.00 -1.03 0.00 0.00 55.69 55.56 1nir s MET 31 Cb -0.53 0.06 0.30 0.00 -1.53 0.00 0.00 34.83 33.13 1nir s MET 31 CO 0.61 -0.09 1.01 -1.54 -2.03 0.00 0.00 175.02 172.98 1nir s SER 32 N 0.66 0.52 0.19 -1.18 1.04 -1.26 -4.66 113.70 109.01 1nir s SER 32 Ca -0.04 1.18 -0.10 0.00 0.48 0.00 0.00 55.95 57.47 1nir s SER 32 Cb -0.05 -1.79 0.12 0.00 0.10 0.00 0.00 66.02 64.39 1nir s SER 32 CO -0.04 -4.44 1.75 -0.08 0.98 0.00 0.00 173.24 171.41 1nir h GLU 33 N -2.79 1.06 -0.02 4.02 4.81 -2.02 -0.45 114.58 119.20 1nir h GLU 33 Ca -0.55 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.35 1nir h GLU 33 Cb 1.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1nir h GLU 33 CO 0.44 0.89 -0.57 0.66 -0.73 0.00 0.00 179.01 179.70 1nir h SER 34 N 1.01 0.07 -0.10 1.04 4.64 -1.98 -0.75 113.55 117.47 1nir h SER 34 Ca 0.23 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 1nir h SER 34 Cb 0.24 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1nir h SER 34 CO -0.02 0.62 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.62 1nir h GLU 35 N 0.05 0.59 -0.41 4.77 5.08 -1.84 -1.32 114.58 121.51 1nir h GLU 35 Ca -0.00 -0.50 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 1nir h GLU 35 Cb 1.02 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1nir h GLU 35 CO 0.08 1.13 0.04 0.35 -1.00 0.00 0.00 179.01 179.61 1nir h PHE 36 N 0.22 0.74 -0.24 4.33 3.57 -1.02 -2.06 116.94 122.49 1nir h PHE 36 Ca -0.05 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.22 1nir h PHE 36 Cb 1.26 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1nir h PHE 36 CO 0.11 0.74 -0.34 -0.91 -2.23 0.00 0.00 178.31 175.67 1nir h ASN 37 N 0.53 0.54 -0.53 0.41 2.35 -1.18 0.10 115.58 117.82 1nir h ASN 37 Ca 0.12 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1nir h ASN 37 Cb 0.41 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1nir h ASN 37 CO 0.01 0.85 0.07 -0.08 -1.65 0.00 0.00 177.43 176.63 1nir h GLU 38 N 0.44 0.89 -0.25 0.81 4.81 -1.09 -0.87 114.58 119.32 1nir h GLU 38 Ca 0.05 -0.25 -0.20 0.00 -0.13 0.00 0.00 59.36 58.83 1nir h GLU 38 Cb 0.81 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1nir h GLU 38 CO 0.07 0.88 -0.62 0.00 -0.73 0.00 0.00 179.01 178.60 1nir h ALA 39 N 0.97 0.41 -0.71 2.92 0.00 -1.20 -2.93 119.26 118.72 1nir h ALA 39 Ca 0.16 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1nir h ALA 39 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1nir h ALA 39 CO 0.01 0.68 0.20 -0.22 0.00 0.00 0.00 179.25 179.92 1nir h LYS 40 N 0.63 1.11 -0.62 0.00 3.64 -0.67 -1.10 116.57 119.57 1nir h LYS 40 Ca -0.01 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1nir h LYS 40 Cb 1.24 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1nir h LYS 40 CO 0.13 0.96 0.16 0.37 -2.27 0.00 0.00 179.45 178.81 1nir h GLN 41 N 1.06 0.98 -0.24 1.90 4.15 -1.17 -2.71 115.11 119.09 1nir h GLN 41 Ca 0.23 -0.23 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1nir h GLN 41 Cb 0.33 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1nir h GLN 41 CO -0.00 0.89 -0.39 0.82 -1.93 0.00 0.00 178.83 178.21 1nir h ILE 42 N 0.90 1.30 -0.22 2.39 2.04 -1.31 -2.71 117.51 119.90 1nir h ILE 42 Ca 0.20 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 1nir h ILE 42 Cb 0.34 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1nir h ILE 42 CO -0.00 0.49 0.12 0.22 0.00 0.00 0.00 178.15 178.98 1nir h TYR 43 N 0.45 0.29 0.00 1.37 3.20 -0.90 0.64 116.97 122.02 1nir h TYR 43 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1nir h TYR 43 Cb 0.88 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1nir h TYR 43 CO 0.03 0.26 0.00 0.74 -1.64 0.00 0.00 178.16 177.55 1nir h PHE 44 N 0.25 0.00 0.06 -3.82 0.04 -1.51 0.64 116.94 112.60 1nir h PHE 44 Ca 0.08 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.54 1nir h PHE 44 Cb 0.06 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1nir h PHE 44 CO -0.04 0.00 -1.65 1.96 -0.60 0.00 0.00 178.31 177.98 1nir h GLN 45 N 0.00 0.12 0.00 1.51 4.20 -1.22 -3.40 115.11 116.31 1nir h GLN 45 Ca 0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1nir h GLN 45 Cb 0.83 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1nir h GLN 45 CO 0.00 0.85 -0.90 0.54 -0.67 0.00 0.00 178.83 178.65 1nir n ARG 46 N -3.27 1.24 -0.04 1.46 5.12 0.19 -4.92 116.66 116.44 1nir n ARG 46 Ca -0.18 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.68 1nir n ARG 46 Cb 1.04 -0.95 -0.05 0.00 -1.16 0.00 0.00 32.46 31.34 1nir n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nir h ALA 48 N 0.13 1.72 -0.63 0.00 0.00 -0.21 -2.29 119.26 117.98 1nir h ALA 48 Ca -0.21 0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1nir h ALA 48 Cb 1.38 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 1nir h ALA 48 CO -0.02 -0.22 -0.25 0.78 0.00 0.00 0.00 179.25 179.55 1nir h GLY 49 N 0.61 0.21 0.00 0.00 0.00 -1.84 0.41 103.07 102.46 1nir h GLY 49 Ca 0.62 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 48.18 1nir h GLY 49 CO -0.46 -0.24 -0.61 0.00 0.00 0.00 0.00 176.54 175.24 1nir h HIS 51 N -1.00 0.00 0.00 0.00 3.86 -1.44 -2.88 115.15 113.69 1nir h HIS 51 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1nir h HIS 51 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1nir h HIS 51 CO 0.03 0.35 0.00 0.41 0.86 0.00 0.00 177.93 179.58 1nir n GLY 52 N 0.66 -0.96 0.21 2.45 0.00 0.14 0.01 105.19 107.71 1nir n GLY 52 Ca 0.01 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 1nir n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nir h VAL 53 N 0.00 1.27 -0.49 1.61 2.07 -1.97 -3.03 116.25 115.72 1nir h VAL 53 Ca 0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1nir h VAL 53 Cb 0.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1nir h VAL 53 CO 0.00 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.13 1nir n LEU 54 N -4.42 2.94 -3.58 2.57 4.77 -1.26 -4.82 117.00 113.20 1nir n LEU 54 Ca -0.02 -1.41 -0.25 0.00 -0.03 0.00 0.00 56.01 54.31 1nir n LEU 54 Cb 0.32 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1nir n LEU 54 CO 0.41 0.71 0.21 0.54 -1.33 0.00 0.00 177.39 177.93 1nir n ARG 55 N 1.12 -7.45 -0.43 3.23 1.74 -1.15 -4.80 116.66 108.92 1nir n ARG 55 Ca 0.19 0.81 0.05 0.00 -0.77 0.00 0.00 57.85 58.12 1nir n ARG 55 Cb 0.48 -5.83 0.08 0.00 -1.02 0.00 0.00 32.46 26.16 1nir n ARG 55 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nir n LYS 56 N -4.89 0.64 0.09 5.56 5.02 -0.57 -1.69 118.16 122.32 1nir n LYS 56 Ca 0.00 -1.91 0.06 0.00 -2.02 0.00 0.00 58.31 54.44 1nir n LYS 56 Cb 0.56 -0.95 -0.01 0.00 -0.02 0.00 0.00 35.03 34.62 1nir n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1nir h GLY 57 N 0.18 0.00 -2.41 0.72 0.00 -0.62 -3.48 103.07 97.46 1nir h GLY 57 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.88 1nir h GLY 57 CO 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.32 1nir s ALA 58 N -3.14 4.24 0.96 3.60 0.00 -1.09 -4.77 121.76 121.57 1nir s ALA 58 Ca -0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.35 1nir s ALA 58 Cb 0.08 -1.78 0.17 0.00 0.00 0.00 0.00 23.12 21.59 1nir s ALA 58 CO 0.78 -0.30 1.14 0.95 0.00 0.00 0.00 175.76 178.32 1nir s THR 59 N -2.40 1.96 0.00 0.00 -4.23 -1.26 -4.84 115.64 104.88 1nir s THR 59 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1nir s THR 59 Cb -0.10 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1nir s THR 59 CO 0.34 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 1nir n GLY 60 N -1.98 -1.53 3.75 3.99 0.00 -1.26 -4.85 105.19 103.30 1nir n GLY 60 Ca 0.07 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 1nir n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir s LYS 61 N 0.00 4.65 0.64 1.61 1.02 -1.26 -5.03 119.74 121.37 1nir s LYS 61 Ca 0.00 1.73 -0.17 0.00 0.02 0.00 0.00 55.97 57.55 1nir s LYS 61 Cb 0.00 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1nir s LYS 61 CO 0.00 0.21 1.16 -1.25 -0.92 0.00 0.00 175.35 174.55 1nir s PRO 62 N -1.03 2.79 -0.39 -1.68 0.04 -1.26 -4.94 135.00 128.52 1nir s PRO 62 Ca 0.46 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 1nir s PRO 62 Cb -0.30 -1.93 0.25 0.00 0.04 0.00 0.00 34.50 32.56 1nir s PRO 62 CO 0.38 -1.31 2.07 1.28 0.04 0.00 0.00 177.00 179.46 1nir n LEU 63 N -2.06 6.71 -4.87 -3.56 4.77 -0.68 -4.63 117.00 112.67 1nir n LEU 63 Ca 0.12 -3.54 -0.31 0.00 -0.03 0.00 0.00 56.01 52.26 1nir n LEU 63 Cb 0.51 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 1nir n LEU 63 CO 0.46 1.31 0.38 0.42 -1.33 0.00 0.00 177.39 178.62 1nir s THR 64 N -2.77 4.82 0.58 -5.08 -4.23 -1.26 -4.81 115.64 102.89 1nir s THR 64 Ca 0.39 0.57 0.29 0.00 -1.18 0.00 0.00 61.69 61.76 1nir s THR 64 Cb 0.30 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.83 1nir s THR 64 CO -0.02 -0.38 1.94 -0.65 -0.54 0.00 0.00 174.62 174.96 1nir h PRO 65 N 1.63 0.00 -0.42 3.99 0.11 -1.80 -1.23 132.00 134.27 1nir h PRO 65 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1nir h PRO 65 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1nir h PRO 65 CO 0.65 0.00 0.01 0.38 -0.21 0.00 0.00 178.00 178.83 1nir h ASP 66 N 0.00 0.72 0.00 -2.05 2.03 -1.92 -1.71 116.42 113.49 1nir h ASP 66 Ca 0.22 -0.30 -0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1nir h ASP 66 Cb 1.10 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1nir h ASP 66 CO -0.00 0.85 -0.00 0.40 -1.03 0.00 0.00 179.24 179.46 1nir h ILE 67 N 0.58 1.77 -0.91 4.15 5.03 -1.57 -3.18 117.51 123.38 1nir h ILE 67 Ca 0.12 -2.26 0.06 0.00 -0.12 0.00 0.00 64.86 62.66 1nir h ILE 67 Cb 0.47 3.31 -0.06 0.00 -3.03 0.00 0.00 36.82 37.51 1nir h ILE 67 CO 0.02 0.59 0.59 0.71 -0.68 0.00 0.00 178.15 179.38 1nir h THR 68 N -0.96 1.08 0.00 -0.27 1.35 -1.34 0.01 112.91 112.77 1nir h THR 68 Ca -0.00 -0.36 -0.08 0.00 -0.55 0.00 0.00 66.41 65.42 1nir h THR 68 Cb 0.96 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1nir h THR 68 CO 0.00 0.19 -0.36 1.56 -0.25 0.00 0.00 175.52 176.66 1nir h GLN 69 N 1.05 0.00 -0.20 4.72 4.20 -1.46 -1.73 115.11 121.71 1nir h GLN 69 Ca 0.39 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.98 1nir h GLN 69 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1nir h GLN 69 CO -0.14 0.36 -0.33 0.37 -0.67 0.00 0.00 178.83 178.42 1nir h GLN 70 N 0.00 0.57 -0.28 1.46 4.15 -1.08 -3.24 115.11 116.69 1nir h GLN 70 Ca -0.00 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 1nir h GLN 70 Cb 1.00 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1nir h GLN 70 CO 0.05 0.95 0.09 0.00 -1.93 0.00 0.00 178.83 177.99 1nir h ARG 71 N 0.24 0.43 0.00 1.69 2.47 -0.91 -3.50 114.38 114.79 1nir h ARG 71 Ca 0.01 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1nir h ARG 71 Cb 0.91 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1nir h ARG 71 CO 0.07 0.49 0.00 0.41 0.56 0.00 0.00 179.97 181.51 1nir n GLY 72 N -0.62 1.06 0.23 0.04 0.00 -0.66 -4.34 105.19 100.89 1nir n GLY 72 Ca -0.03 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1nir n GLY 72 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1nir h GLN 73 N 0.00 -0.19 -0.18 1.61 5.75 -1.90 -2.04 115.11 118.15 1nir h GLN 73 Ca 0.00 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.40 1nir h GLN 73 Cb 0.00 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1nir h GLN 73 CO 0.00 -0.13 -0.38 1.96 -2.65 0.00 0.00 178.83 177.63 1nir h GLN 74 N -0.20 0.40 -0.08 1.69 1.08 -1.99 -1.60 115.11 114.40 1nir h GLN 74 Ca 0.12 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1nir h GLN 74 Cb 0.38 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1nir h GLN 74 CO -0.32 0.72 0.01 -0.92 -0.95 0.00 0.00 178.83 177.37 1nir h TYR 75 N 0.33 0.13 -0.78 2.96 5.03 -1.71 -2.41 116.97 120.53 1nir h TYR 75 Ca 0.03 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.35 1nir h TYR 75 Cb 0.82 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.02 1nir h TYR 75 CO 0.02 0.33 0.50 -0.07 -1.32 0.00 0.00 178.16 177.63 1nir h LEU 76 N -0.10 0.85 -0.65 2.82 3.38 -1.23 -1.00 115.31 119.39 1nir h LEU 76 Ca 0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1nir h LEU 76 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1nir h LEU 76 CO 0.00 0.60 0.10 -0.33 0.09 0.00 0.00 178.44 178.91 1nir h GLU 77 N 1.01 1.07 -0.48 1.13 5.08 -1.29 -1.36 114.58 119.74 1nir h GLU 77 Ca 0.30 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1nir h GLU 77 Cb -0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1nir h GLU 77 CO -0.09 0.99 0.14 0.00 -1.00 0.00 0.00 179.01 179.06 1nir h ALA 78 N 1.04 0.63 -0.47 3.43 0.00 -1.03 -0.43 119.26 122.43 1nir h ALA 78 Ca 0.20 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nir h ALA 78 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nir h ALA 78 CO 0.01 0.29 -0.12 1.25 0.00 0.00 0.00 179.25 180.69 1nir h LEU 79 N 0.64 0.91 -0.78 0.00 6.46 -1.04 -1.21 115.31 120.31 1nir h LEU 79 Ca 0.15 -0.36 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 1nir h LEU 79 Cb 0.28 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1nir h LEU 79 CO -0.00 1.06 -0.15 0.40 -0.62 0.00 0.00 178.44 179.13 1nir h ILE 80 N 0.75 1.26 0.02 4.05 2.04 -1.17 0.55 117.51 125.01 1nir h ILE 80 Ca 0.12 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1nir h ILE 80 Cb 0.67 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1nir h ILE 80 CO 0.05 0.41 -0.01 0.74 0.00 0.00 0.00 178.15 179.34 1nir h THR 81 N 0.69 1.21 0.00 -0.27 2.02 -0.91 -0.82 112.91 114.83 1nir h THR 81 Ca 0.11 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1nir h THR 81 Cb 0.63 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1nir h THR 81 CO 0.04 0.18 -1.33 -1.22 0.37 0.00 0.00 175.52 173.57 1nir n TYR 82 N -4.96 0.12 -4.87 3.16 4.01 -0.47 -1.41 117.16 112.75 1nir n TYR 82 Ca -0.08 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1nir n TYR 82 Cb 0.18 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 1nir n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nir n GLY 83 N 1.37 -0.10 3.23 2.72 0.00 0.19 -4.42 105.19 108.18 1nir n GLY 83 Ca 0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1nir n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nir s THR 84 N 0.00 0.12 -2.00 2.61 -4.23 -0.19 -4.91 115.64 107.05 1nir s THR 84 Ca 0.00 -1.33 0.21 0.00 -1.18 0.00 0.00 61.69 59.38 1nir s THR 84 Cb 0.00 -1.55 0.59 0.00 1.34 0.00 0.00 72.50 72.89 1nir s THR 84 CO 0.00 -0.56 1.75 -0.81 -0.54 0.00 0.00 174.62 174.46 1nir n PRO 85 N -0.10 0.92 -1.42 3.99 -0.04 -1.26 -3.57 135.00 133.52 1nir n PRO 85 Ca -0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 1nir n PRO 85 Cb 0.63 -1.36 0.09 0.00 -0.04 0.00 0.00 33.50 32.82 1nir n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nir n LEU 86 N -0.86 6.89 0.00 1.53 4.77 -1.26 -4.87 117.00 123.20 1nir n LEU 86 Ca 0.16 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.86 1nir n LEU 86 Cb 0.07 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1nir n LEU 86 CO 0.12 1.54 0.00 0.61 -1.33 0.00 0.00 177.39 178.33 1nir n GLY 87 N -0.92 0.52 3.46 -0.72 0.00 -1.25 -5.02 105.19 101.26 1nir n GLY 87 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 1nir n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nir s MET 88 N -0.87 3.00 0.59 1.61 0.00 -1.23 -5.02 119.30 117.38 1nir s MET 88 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 55.69 54.51 1nir s MET 88 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 34.83 30.85 1nir s MET 88 CO 0.00 -0.72 1.18 -1.25 0.00 0.00 0.00 175.02 174.23 1nir s PRO 89 N 1.67 3.01 -0.19 4.11 0.04 -1.26 -1.02 135.00 141.36 1nir s PRO 89 Ca 0.05 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1nir s PRO 89 Cb -0.19 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1nir s PRO 89 CO 0.10 -1.15 0.67 0.54 0.04 0.00 0.00 177.00 177.19 1nir s ASN 90 N -1.75 6.74 -0.10 6.66 2.20 -1.26 -4.18 114.94 123.23 1nir s ASN 90 Ca 0.75 0.90 0.20 0.00 -0.94 0.00 0.00 52.86 53.76 1nir s ASN 90 Cb -0.28 -2.37 -0.27 0.00 -2.00 0.00 0.00 41.25 36.33 1nir s ASN 90 CO 0.33 -0.29 0.31 0.79 -2.94 0.00 0.00 177.10 175.30 1nir n TRP 91 N 5.07 0.10 -0.09 1.54 7.02 -0.31 -3.98 117.44 126.79 1nir n TRP 91 Ca -0.00 0.03 -0.22 0.00 -1.02 0.00 0.00 57.50 56.29 1nir n TRP 91 Cb 0.50 -0.81 -0.12 0.00 -2.42 0.00 0.00 31.31 28.46 1nir n TRP 91 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1nir h GLY 92 N 3.97 0.05 0.71 6.99 0.00 -1.31 -1.51 103.07 111.97 1nir h GLY 92 Ca -0.29 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1nir h GLY 92 CO 0.02 0.11 0.16 1.76 0.00 0.00 0.00 176.54 178.59 1nir h SER 93 N -0.83 0.20 0.48 0.19 0.02 -1.54 -1.29 113.55 110.78 1nir h SER 93 Ca -0.35 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 1nir h SER 93 Cb 1.41 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1nir h SER 93 CO -0.16 0.15 -0.19 0.77 -1.14 0.00 0.00 176.83 176.27 1nir h SER 94 N 0.34 0.00 0.00 3.07 4.64 -1.76 -3.46 113.55 116.37 1nir h SER 94 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1nir h SER 94 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1nir h SER 94 CO -0.16 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1nir n GLY 95 N -0.48 0.65 0.10 -0.77 0.00 -0.49 -4.97 105.19 99.23 1nir n GLY 95 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1nir n GLY 95 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nir h GLU 96 N 1.11 0.19 -6.61 1.61 4.57 -1.70 -3.44 114.58 110.30 1nir h GLU 96 Ca 0.00 -0.08 -0.67 0.00 -1.18 0.00 0.00 59.36 57.43 1nir h GLU 96 Cb 0.00 -0.01 -0.17 0.00 -0.16 0.00 0.00 28.75 28.41 1nir h GLU 96 CO 0.00 0.53 -0.76 -0.51 -1.18 0.00 0.00 179.01 177.09 1nir s LEU 97 N -9.35 2.91 0.70 1.64 1.43 -0.61 -5.07 118.68 110.34 1nir s LEU 97 Ca -0.15 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1nir s LEU 97 Cb 0.04 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1nir s LEU 97 CO 0.71 0.18 1.05 -0.94 0.23 0.00 0.00 176.35 177.58 1nir s SER 98 N -2.17 5.16 0.44 2.29 1.04 -1.26 -4.47 113.70 114.73 1nir s SER 98 Ca 0.20 0.84 0.22 0.00 0.48 0.00 0.00 55.95 57.69 1nir s SER 98 Cb -0.11 -1.59 0.97 0.00 0.10 0.00 0.00 66.02 65.40 1nir s SER 98 CO 0.12 -1.44 1.86 0.11 0.98 0.00 0.00 173.24 174.87 1nir h LYS 99 N -0.62 0.00 -0.11 4.02 1.79 -1.97 -0.38 116.57 119.30 1nir h LYS 99 Ca -0.45 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.83 1nir h LYS 99 Cb 1.28 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1nir h LYS 99 CO 0.63 0.26 -0.73 0.93 -1.08 0.00 0.00 179.45 179.46 1nir h GLU 100 N 0.00 0.53 -0.16 3.15 3.07 -1.99 -1.97 114.58 117.21 1nir h GLU 100 Ca -0.00 -0.43 -0.18 0.00 -0.50 0.00 0.00 59.36 58.25 1nir h GLU 100 Cb 0.67 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1nir h GLU 100 CO 0.03 1.05 -0.62 1.96 -1.40 0.00 0.00 179.01 180.03 1nir h GLN 101 N 0.37 0.70 -0.68 2.33 4.20 -1.81 -2.61 115.11 117.60 1nir h GLN 101 Ca -0.03 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 1nir h GLN 101 Cb 1.31 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 1nir h GLN 101 CO 0.13 1.16 0.41 0.82 -0.67 0.00 0.00 178.83 180.68 1nir h ILE 102 N 0.40 1.19 -0.51 2.54 2.04 -1.05 0.22 117.51 122.34 1nir h ILE 102 Ca -0.03 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1nir h ILE 102 Cb 1.25 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1nir h ILE 102 CO 0.13 0.20 -0.15 0.74 0.00 0.00 0.00 178.15 179.08 1nir h THR 103 N 0.94 1.27 -0.37 -0.27 2.02 -1.33 -1.64 112.91 113.53 1nir h THR 103 Ca 0.25 -1.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1nir h THR 103 Cb -0.04 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1nir h THR 103 CO -0.05 0.45 -0.12 -0.07 0.37 0.00 0.00 175.52 176.11 1nir h LEU 104 N 0.87 0.64 -0.34 2.58 3.38 -0.90 -2.51 115.31 119.03 1nir h LEU 104 Ca 0.13 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 1nir h LEU 104 Cb 0.71 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1nir h LEU 104 CO 0.05 0.79 -0.36 0.24 0.09 0.00 0.00 178.44 179.26 1nir h MET 105 N 0.60 0.85 -0.82 1.13 2.86 -0.73 -1.35 114.93 117.47 1nir h MET 105 Ca 0.11 -0.45 0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1nir h MET 105 Cb 0.55 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1nir h MET 105 CO 0.03 1.09 0.53 0.00 1.06 0.00 0.00 176.91 179.63 1nir h ALA 106 N 0.74 1.05 -0.36 6.32 0.00 -1.14 -1.78 119.26 124.09 1nir h ALA 106 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1nir h ALA 106 Cb 0.94 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1nir h ALA 106 CO 0.09 0.41 -0.11 0.87 0.00 0.00 0.00 179.25 180.50 1nir h LYS 107 N 1.07 0.72 -0.19 0.00 1.57 -1.40 -3.28 116.57 115.05 1nir h LYS 107 Ca 0.31 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1nir h LYS 107 Cb -0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1nir h LYS 107 CO -0.08 0.88 0.02 -0.92 -0.57 0.00 0.00 179.45 178.78 1nir h TYR 108 N 0.51 0.03 0.00 -1.35 3.20 -0.70 -2.49 116.97 116.17 1nir h TYR 108 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1nir h TYR 108 Cb 0.63 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1nir h TYR 108 CO 0.05 -0.00 0.00 0.44 -1.64 0.00 0.00 178.16 177.01 1nir n ILE 109 N -5.11 0.88 1.27 1.81 -5.35 -0.72 -1.31 119.36 110.82 1nir n ILE 109 Ca -0.03 0.22 0.13 0.00 -0.27 0.00 0.00 62.75 62.81 1nir n ILE 109 Cb 0.10 -1.00 0.45 0.00 -1.74 0.00 0.00 39.64 37.44 1nir n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nir n GLN 110 N -1.39 0.70 -3.91 6.28 6.02 -0.94 -4.01 117.38 120.14 1nir n GLN 110 Ca 0.05 -0.36 -0.21 0.00 -0.01 0.00 0.00 57.00 56.47 1nir n GLN 110 Cb 0.13 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1nir n GLN 110 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1nir s HIS 111 N -2.55 3.36 0.38 1.08 3.76 -0.43 -4.49 115.29 116.41 1nir s HIS 111 Ca 0.24 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 1nir s HIS 111 Cb 0.19 -1.62 -0.11 0.00 1.11 0.00 0.00 32.58 32.16 1nir s HIS 111 CO 0.52 0.38 1.46 0.99 -0.85 0.00 0.00 174.74 177.24 1nir s THR 112 N -2.03 2.13 0.10 1.30 2.01 -1.26 -4.56 115.64 113.34 1nir s THR 112 Ca 0.36 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 1nir s THR 112 Cb -0.09 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 1nir s THR 112 CO 0.29 0.03 1.62 -2.84 -0.69 0.00 0.00 174.62 173.03 1nir s PRO 113 N -2.10 4.20 0.65 4.92 0.02 -1.26 -4.97 135.00 136.47 1nir s PRO 113 Ca 0.53 2.34 -0.17 0.00 0.02 0.00 0.00 61.00 63.72 1nir s PRO 113 Cb -0.45 -3.44 -0.00 0.00 0.02 0.00 0.00 34.50 30.62 1nir s PRO 113 CO 0.61 -0.69 1.23 -2.14 -0.33 0.00 0.00 177.00 175.68 1nir s PRO 114 N 2.11 2.58 -0.19 5.54 0.02 -1.26 -5.00 135.00 138.81 1nir s PRO 114 Ca 0.72 1.85 -0.06 0.00 0.02 0.00 0.00 61.00 63.54 1nir s PRO 114 Cb -0.41 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 1nir s PRO 114 CO 0.32 -1.52 0.02 -0.65 -0.33 0.00 0.00 177.00 174.84 1nir s GLN 115 N -3.56 3.78 0.67 5.54 -1.52 -1.26 -4.94 119.66 118.37 1nir s GLN 115 Ca 0.77 -0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 53.63 1nir s GLN 115 Cb -0.32 -3.11 -0.01 0.00 -0.22 0.00 0.00 33.01 29.36 1nir s GLN 115 CO 0.39 0.16 1.07 -2.14 -0.25 0.00 0.00 175.29 174.52 1nir s PRO 116 N 0.63 3.19 0.91 2.91 0.02 -1.26 -5.03 135.00 136.36 1nir s PRO 116 Ca 0.01 0.59 -0.12 0.00 0.02 0.00 0.00 61.00 61.50 1nir s PRO 116 Cb -0.14 -2.05 0.13 0.00 0.02 0.00 0.00 34.50 32.47 1nir s PRO 116 CO 0.02 -0.83 1.10 -1.25 -0.33 0.00 0.00 177.00 175.71 1nir s PRO 117 N -5.28 1.18 0.90 5.54 0.04 -1.26 -5.06 135.00 131.07 1nir s PRO 117 Ca 0.57 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 1nir s PRO 117 Cb -0.11 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.81 1nir s PRO 117 CO 0.53 -2.24 1.23 -1.21 0.04 0.00 0.00 177.00 175.35 1nir s GLU 118 N -5.05 0.82 -0.40 4.56 0.41 -1.26 -4.80 118.70 112.98 1nir s GLU 118 Ca 0.63 -0.77 0.06 0.00 -0.41 0.00 0.00 54.97 54.48 1nir s GLU 118 Cb -0.17 -2.01 0.17 0.00 -1.78 0.00 0.00 34.13 30.34 1nir s GLU 118 CO 0.56 -2.19 0.55 -0.46 -0.49 0.00 0.00 175.26 173.22 1nir s TRP 119 N -3.67 -1.26 0.00 1.61 -0.11 -1.26 -5.00 118.94 109.26 1nir s TRP 119 Ca 0.73 -0.09 0.00 0.00 1.22 0.00 0.00 56.10 57.96 1nir s TRP 119 Cb -0.03 0.08 0.00 0.00 -1.50 0.00 0.00 33.47 32.02 1nir s TRP 119 CO 0.51 -1.11 0.00 0.41 -4.62 0.00 0.00 176.95 172.14 1nir n GLY 120 N 4.37 3.03 0.35 5.86 0.00 -1.26 -4.86 105.19 112.68 1nir n GLY 120 Ca 0.11 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.12 1nir n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nir h MET 121 N 0.00 1.09 -0.60 1.61 4.05 -2.01 -1.01 114.93 118.06 1nir h MET 121 Ca 0.00 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1nir h MET 121 Cb 0.00 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.53 1nir h MET 121 CO 0.00 0.72 0.31 -1.35 0.23 0.00 0.00 176.91 176.82 1nir h PRO 122 N 1.12 0.85 -0.42 0.39 0.11 -1.99 -0.46 132.00 131.59 1nir h PRO 122 Ca 0.39 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 1nir h PRO 122 Cb 0.10 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1nir h PRO 122 CO -0.15 0.66 -0.16 0.93 -0.21 0.00 0.00 178.00 179.07 1nir h GLU 123 N 0.82 0.80 -0.12 1.05 3.07 -1.86 -2.41 114.58 115.94 1nir h GLU 123 Ca 0.21 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 1nir h GLU 123 Cb 0.07 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1nir h GLU 123 CO -0.03 0.91 -0.05 0.52 -1.40 0.00 0.00 179.01 178.96 1nir h MET 124 N 0.71 0.24 -0.13 2.33 2.86 -0.89 -2.63 114.93 117.42 1nir h MET 124 Ca 0.11 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1nir h MET 124 Cb 0.67 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1nir h MET 124 CO 0.05 0.57 -0.17 0.00 1.06 0.00 0.00 176.91 178.42 1nir h ARG 125 N -0.10 0.22 -0.57 1.72 3.08 -1.11 -1.73 114.38 115.88 1nir h ARG 125 Ca 0.03 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1nir h ARG 125 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1nir h ARG 125 CO 0.02 0.39 -0.05 1.49 -1.07 0.00 0.00 179.97 180.74 1nir h GLU 126 N 0.20 1.05 0.00 0.04 4.57 -1.40 -2.81 114.58 116.23 1nir h GLU 126 Ca 0.04 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1nir h GLU 126 Cb 0.42 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1nir h GLU 126 CO 0.03 1.05 0.00 0.66 -1.18 0.00 0.00 179.01 179.57 1nir h SER 127 N 0.94 0.00 -3.02 1.04 4.64 -1.07 -3.46 113.55 112.62 1nir h SER 127 Ca 0.16 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.94 1nir h SER 127 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1nir h SER 127 CO 0.04 0.00 0.71 0.86 -0.87 0.00 0.00 176.83 177.57 1nir s TRP 128 N -3.14 3.21 -0.03 4.77 -0.00 -0.69 -4.34 118.94 118.72 1nir s TRP 128 Ca 0.09 1.00 -0.00 0.00 -0.00 0.00 0.00 56.10 57.19 1nir s TRP 128 Cb 0.11 -3.62 0.03 0.00 -0.00 0.00 0.00 33.47 29.99 1nir s TRP 128 CO 0.58 -2.15 0.03 0.15 -0.00 0.00 0.00 176.95 175.57 1nir s LYS 129 N 1.36 -0.01 -0.49 5.86 1.02 -0.87 -5.01 119.74 121.60 1nir s LYS 129 Ca 0.63 0.22 -0.15 0.00 0.02 0.00 0.00 55.97 56.69 1nir s LYS 129 Cb -0.34 -0.34 0.10 0.00 -0.52 0.00 0.00 37.83 36.73 1nir s LYS 129 CO 0.29 -0.20 0.42 0.08 -0.92 0.00 0.00 175.35 175.02 1nir s VAL 130 N 1.32 5.07 0.08 3.17 1.01 -1.26 -2.11 120.40 127.68 1nir s VAL 130 Ca -0.06 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 1nir s VAL 130 Cb -0.13 -4.14 -0.17 0.00 0.00 0.00 0.00 36.38 31.94 1nir s VAL 130 CO -0.03 -0.70 1.27 -0.07 0.00 0.00 0.00 175.10 175.57 1nir h LEU 131 N 8.76 0.82 -7.21 3.92 3.38 -1.19 -3.43 115.31 120.36 1nir h LEU 131 Ca -0.28 -0.64 -0.52 0.00 0.09 0.00 0.00 57.88 56.53 1nir h LEU 131 Cb 1.10 -0.24 -0.40 0.00 0.09 0.00 0.00 40.66 41.21 1nir h LEU 131 CO 0.93 1.33 -0.76 -0.69 0.09 0.00 0.00 178.44 179.33 1nir s VAL 132 N -3.70 0.49 0.50 1.22 1.01 -0.64 -4.99 120.40 114.29 1nir s VAL 132 Ca -0.11 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1nir s VAL 132 Cb 0.07 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 1nir s VAL 132 CO 0.88 -0.31 1.02 0.29 0.00 0.00 0.00 175.10 176.97 1nir n LYS 133 N 5.05 1.24 -0.04 2.72 5.02 -1.26 -4.81 118.16 126.07 1nir n LYS 133 Ca -0.08 0.45 0.10 0.00 -2.02 0.00 0.00 58.31 56.77 1nir n LYS 133 Cb 0.46 -2.13 0.49 0.00 -0.02 0.00 0.00 35.03 33.83 1nir n LYS 133 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1nir h PRO 134 N 1.17 0.40 0.00 1.97 0.11 -1.95 -0.38 132.00 133.32 1nir h PRO 134 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1nir h PRO 134 Cb 1.34 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1nir h PRO 134 CO 0.55 0.27 -0.08 1.05 -0.21 0.00 0.00 178.00 179.57 1nir h GLU 135 N 0.41 0.00 -0.02 1.05 9.09 -2.00 -2.69 114.58 120.43 1nir h GLU 135 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 1nir h GLU 135 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1nir h GLU 135 CO -0.06 0.08 -0.16 -0.25 0.05 0.00 0.00 179.01 178.67 1nir n ASP 136 N -3.22 1.91 -4.83 3.06 9.92 -0.18 -4.93 116.55 118.28 1nir n ASP 136 Ca 0.00 -1.50 -0.33 0.00 -0.53 0.00 0.00 54.79 52.43 1nir n ASP 136 Cb 0.35 0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.90 1nir n ASP 136 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1nir s ARG 137 N -2.22 4.17 0.93 -1.24 0.52 -1.02 -4.94 118.95 115.15 1nir s ARG 137 Ca 0.28 0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 56.31 1nir s ARG 137 Cb 0.20 -2.41 0.13 0.00 0.52 0.00 0.00 34.95 33.39 1nir s ARG 137 CO 0.42 0.12 1.02 -2.30 0.02 0.00 0.00 175.30 174.58 1nir n PRO 138 N -0.29 -0.49 0.00 3.54 -0.02 -1.26 -4.93 135.00 131.55 1nir n PRO 138 Ca 0.04 -0.08 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1nir n PRO 138 Cb 0.53 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1nir n PRO 138 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nir n LYS 139 N -3.86 1.15 -3.89 -0.52 5.02 -1.26 -4.97 118.16 109.83 1nir n LYS 139 Ca 0.11 -0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 55.53 1nir n LYS 139 Cb 0.52 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1nir n LYS 139 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nir s LYS 140 N -2.45 1.17 -0.30 1.97 1.02 -1.26 -5.11 119.74 114.78 1nir s LYS 140 Ca 0.15 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 1nir s LYS 140 Cb 0.17 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.87 1nir s LYS 140 CO 0.59 -0.44 1.70 -1.14 -0.92 0.00 0.00 175.35 175.13 1nir s GLN 141 N -3.93 3.52 -0.15 1.68 0.74 -1.26 -4.76 119.66 115.49 1nir s GLN 141 Ca 0.14 1.46 0.05 0.00 0.05 0.00 0.00 55.36 57.06 1nir s GLN 141 Cb 0.02 -4.13 0.39 0.00 1.10 0.00 0.00 33.01 30.40 1nir s GLN 141 CO -0.02 -1.64 1.23 1.28 -0.55 0.00 0.00 175.29 175.59 1nir n LEU 142 N 9.50 3.83 -4.18 3.68 4.77 0.25 -4.88 117.00 129.97 1nir n LEU 142 Ca 0.21 -1.97 -0.12 0.00 -0.03 0.00 0.00 56.01 54.11 1nir n LEU 142 Cb 0.46 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1nir n LEU 142 CO 0.68 0.54 -0.22 0.54 -1.33 0.00 0.00 177.39 177.60 1nir s ASN 143 N -0.31 0.15 0.00 -1.43 2.20 -1.26 -4.17 114.94 110.11 1nir s ASN 143 Ca 0.28 -1.34 0.22 0.00 -0.94 0.00 0.00 52.86 51.08 1nir s ASN 143 Cb 0.22 0.39 0.52 0.00 -2.00 0.00 0.00 41.25 40.37 1nir s ASN 143 CO 0.07 -0.85 1.45 0.47 -2.94 0.00 0.00 177.10 175.30 1nir n ASP 144 N -0.26 3.66 -4.74 3.54 8.00 -1.26 -5.00 116.55 120.49 1nir n ASP 144 Ca 0.01 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 1nir n ASP 144 Cb 0.66 -0.36 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1nir n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nir s LEU 145 N -1.24 3.58 -1.17 0.64 1.43 -1.26 -4.92 118.68 115.74 1nir s LEU 145 Ca 0.43 2.48 -0.08 0.00 -1.03 0.00 0.00 54.13 55.94 1nir s LEU 145 Cb 0.23 -4.61 0.24 0.00 0.03 0.00 0.00 46.19 42.09 1nir s LEU 145 CO 0.32 -1.85 1.58 -0.67 0.23 0.00 0.00 176.35 175.95 1nir n ASP 146 N -1.86 5.73 -0.36 2.29 -0.08 -1.26 -4.90 116.55 116.11 1nir n ASP 146 Ca 0.15 -3.22 -0.02 0.00 -1.51 0.00 0.00 54.79 50.19 1nir n ASP 146 Cb 0.49 -1.39 0.03 0.00 2.34 0.00 0.00 41.12 42.59 1nir n ASP 146 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nir h LEU 147 N 6.88 -1.43 -2.05 -2.67 3.38 -1.95 -0.39 115.31 117.08 1nir h LEU 147 Ca 0.28 0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.64 1nir h LEU 147 Cb 0.68 0.74 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1nir h LEU 147 CO 1.39 -0.29 0.23 -0.65 0.09 0.00 0.00 178.44 179.22 1nir h PRO 148 N -0.03 0.00 -0.55 1.13 0.11 -1.93 -1.38 132.00 129.35 1nir h PRO 148 Ca 0.32 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 1nir h PRO 148 Cb 0.59 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 1nir h PRO 148 CO -0.94 0.00 0.09 -1.71 -0.21 0.00 0.00 178.00 175.23 1nir n ASN 149 N -4.29 4.86 -4.79 -2.05 5.15 -0.17 -1.71 115.26 112.27 1nir n ASN 149 Ca 0.04 -3.10 -0.38 0.00 -0.60 0.00 0.00 54.58 50.55 1nir n ASN 149 Cb 0.40 -0.67 -0.06 0.00 -0.53 0.00 0.00 39.78 38.91 1nir n ASN 149 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1nir s LEU 150 N -2.89 4.45 -0.14 1.20 2.96 -0.52 -1.79 118.68 121.94 1nir s LEU 150 Ca 0.52 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1nir s LEU 150 Cb 0.41 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1nir s LEU 150 CO 0.13 0.08 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.73 1nir s PHE 151 N -1.39 2.78 -0.54 5.38 0.40 0.10 -0.71 117.98 124.00 1nir s PHE 151 Ca 0.42 -0.87 -0.17 0.00 -0.60 0.00 0.00 56.93 55.70 1nir s PHE 151 Cb -0.20 -1.86 0.10 0.00 0.51 0.00 0.00 43.02 41.56 1nir s PHE 151 CO 0.24 -0.36 0.57 0.45 0.70 0.00 0.00 175.22 176.82 1nir s SER 152 N 0.61 6.19 -0.16 1.36 0.15 -0.54 -1.00 113.70 120.30 1nir s SER 152 Ca -0.08 -1.41 -0.07 0.00 0.70 0.00 0.00 55.95 55.08 1nir s SER 152 Cb -0.16 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1nir s SER 152 CO 0.03 -0.91 0.09 -0.69 1.20 0.00 0.00 173.24 172.96 1nir s VAL 153 N 2.16 5.04 -0.15 4.45 1.01 -0.20 -1.48 120.40 131.23 1nir s VAL 153 Ca 0.08 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1nir s VAL 153 Cb -0.25 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1nir s VAL 153 CO 0.07 0.50 0.75 -0.89 0.00 0.00 0.00 175.10 175.53 1nir s THR 154 N -0.03 4.95 -0.96 3.92 2.01 -0.26 -0.02 115.64 125.25 1nir s THR 154 Ca 0.08 1.48 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 1nir s THR 154 Cb -0.12 -4.07 0.30 0.00 0.01 0.00 0.00 72.50 68.62 1nir s THR 154 CO 0.00 0.09 1.31 0.18 -0.69 0.00 0.00 174.62 175.52 1nir n LEU 155 N 4.88 5.78 0.00 4.42 4.77 -0.31 -1.10 117.00 135.45 1nir n LEU 155 Ca 0.02 -5.29 0.00 0.00 -0.03 0.00 0.00 56.01 50.71 1nir n LEU 155 Cb 0.50 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1nir n LEU 155 CO 0.47 1.81 0.01 -1.14 -1.33 0.00 0.00 177.39 177.20 1nir n ARG 156 N 1.14 0.00 0.23 3.23 0.63 -1.09 -1.38 116.66 119.42 1nir n ARG 156 Ca 0.28 0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.34 1nir n ARG 156 Cb 0.35 -0.18 0.62 0.00 0.45 0.00 0.00 32.46 33.70 1nir n ARG 156 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1nir h ASP 157 N 0.00 0.00 0.71 6.15 5.19 -1.81 -0.64 116.42 126.03 1nir h ASP 157 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nir h ASP 157 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nir h ASP 157 CO 0.00 0.00 -0.64 0.00 -3.12 0.00 0.00 179.24 175.48 1nir n ALA 158 N -1.75 3.14 -3.20 3.45 0.00 -0.48 -4.92 120.51 116.75 1nir n ALA 158 Ca -0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.98 1nir n ALA 158 Cb 0.27 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.65 1nir n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nir n GLY 159 N 1.39 -0.21 3.54 0.00 0.00 -0.27 -4.93 105.19 104.71 1nir n GLY 159 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1nir n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nir s GLN 160 N -5.32 1.76 0.04 1.61 -0.21 -1.20 -1.02 119.66 115.32 1nir s GLN 160 Ca 0.12 -1.53 -0.01 0.00 0.02 0.00 0.00 55.36 53.97 1nir s GLN 160 Cb -0.05 0.46 -0.03 0.00 1.00 0.00 0.00 33.01 34.39 1nir s GLN 160 CO 0.58 -0.73 -0.03 0.96 -2.12 0.00 0.00 175.29 173.95 1nir s ILE 161 N -3.43 0.18 -0.05 1.08 -4.36 -0.83 -1.16 121.20 112.64 1nir s ILE 161 Ca 0.27 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 59.20 1nir s ILE 161 Cb -0.00 -1.05 0.01 0.00 1.25 0.00 0.00 42.46 42.67 1nir s ILE 161 CO 0.15 -0.81 -0.11 0.00 0.24 0.00 0.00 174.94 174.40 1nir s ALA 162 N -3.00 1.10 -0.40 2.27 0.00 0.97 -1.19 121.76 121.51 1nir s ALA 162 Ca -0.02 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 1nir s ALA 162 Cb 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1nir s ALA 162 CO -0.07 0.12 0.63 -0.51 0.00 0.00 0.00 175.76 175.93 1nir s LEU 163 N 0.52 4.39 -0.16 0.00 1.43 -0.17 -1.03 118.68 123.66 1nir s LEU 163 Ca -0.10 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1nir s LEU 163 Cb -0.13 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1nir s LEU 163 CO 0.02 -0.68 -0.07 -0.69 0.23 0.00 0.00 176.35 175.16 1nir s VAL 164 N 2.75 3.46 -0.05 -1.59 1.01 -0.17 0.51 120.40 126.31 1nir s VAL 164 Ca 0.23 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1nir s VAL 164 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1nir s VAL 164 CO 0.17 0.49 1.48 -0.62 0.00 0.00 0.00 175.10 176.62 1nir s ASP 165 N 0.62 6.79 0.14 3.32 2.15 -0.64 -0.72 116.67 128.32 1nir s ASP 165 Ca -0.04 2.09 -0.22 0.00 0.43 0.00 0.00 52.55 54.81 1nir s ASP 165 Cb -0.15 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1nir s ASP 165 CO 0.03 -0.81 1.66 1.23 -0.17 0.00 0.00 175.17 177.10 1nir h GLY 166 N 9.32 -0.06 0.92 2.66 0.00 -1.69 -0.32 103.07 113.90 1nir h GLY 166 Ca -0.36 0.21 -0.28 0.00 0.00 0.00 0.00 47.33 46.90 1nir h GLY 166 CO 0.94 -0.17 -1.26 -0.55 0.00 0.00 0.00 176.54 175.50 1nir h ASP 167 N -0.19 0.63 1.87 0.19 3.32 -1.92 -3.34 116.42 116.98 1nir h ASP 167 Ca 0.12 -0.93 -0.01 0.00 0.02 0.00 0.00 57.03 56.23 1nir h ASP 167 Cb 0.36 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1nir h ASP 167 CO -0.30 1.60 -0.04 0.77 -1.72 0.00 0.00 179.24 179.55 1nir h SER 168 N -0.10 0.00 -0.99 6.45 4.64 -1.98 -3.47 113.55 118.09 1nir h SER 168 Ca -0.23 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.80 1nir h SER 168 Cb 1.92 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.92 1nir h SER 168 CO 0.19 0.04 -0.28 0.29 -0.87 0.00 0.00 176.83 176.20 1nir n LYS 169 N -3.11 -1.01 -4.44 4.77 4.01 -0.13 -5.02 118.16 113.23 1nir n LYS 169 Ca 0.04 0.91 -0.30 0.00 -0.51 0.00 0.00 58.31 58.45 1nir n LYS 169 Cb 0.53 -5.05 -0.11 0.00 -0.51 0.00 0.00 35.03 29.88 1nir n LYS 169 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1nir s LYS 170 N -3.56 2.09 -0.27 1.97 1.02 -1.24 -4.86 119.74 114.89 1nir s LYS 170 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 1nir s LYS 170 Cb 0.00 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1nir s LYS 170 CO 0.00 0.53 1.55 0.42 -0.92 0.00 0.00 175.35 176.93 1nir s ILE 171 N -1.06 3.78 0.12 2.17 1.01 -1.26 -1.63 121.20 124.34 1nir s ILE 171 Ca 0.17 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.70 1nir s ILE 171 Cb -0.11 -3.84 -0.22 0.00 0.01 0.00 0.00 42.46 38.30 1nir s ILE 171 CO 0.09 -0.39 1.26 0.58 0.00 0.00 0.00 174.94 176.48 1nir h VAL 172 N 6.20 1.56 -1.50 2.92 2.07 -0.30 -3.48 116.25 123.72 1nir h VAL 172 Ca -0.32 -3.03 0.10 0.00 0.82 0.00 0.00 66.70 64.28 1nir h VAL 172 Cb 1.14 2.77 -0.25 0.00 -1.52 0.00 0.00 31.29 33.43 1nir h VAL 172 CO 1.02 0.88 0.58 -0.75 0.02 0.00 0.00 177.57 179.32 1nir s LYS 173 N -2.85 0.49 -0.11 1.57 2.47 -1.14 -5.00 119.74 115.18 1nir s LYS 173 Ca -0.02 0.24 0.02 0.00 -1.56 0.00 0.00 55.97 54.66 1nir s LYS 173 Cb 0.09 0.23 -0.01 0.00 -1.46 0.00 0.00 37.83 36.69 1nir s LYS 173 CO 0.85 -0.13 -0.20 0.08 0.16 0.00 0.00 175.35 176.11 1nir s VAL 174 N -0.69 2.45 -0.05 4.02 1.01 -1.26 -0.99 120.40 124.88 1nir s VAL 174 Ca 0.01 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1nir s VAL 174 Cb -0.02 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1nir s VAL 174 CO -0.02 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 174.75 1nir s ILE 175 N 0.35 1.94 -0.07 2.22 1.01 -0.34 -4.99 121.20 121.32 1nir s ILE 175 Ca -0.16 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 1nir s ILE 175 Cb -0.17 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1nir s ILE 175 CO 0.08 0.54 1.05 -1.81 0.00 0.00 0.00 174.94 174.80 1nir s ASP 176 N -0.20 7.22 0.00 3.58 1.01 -1.26 -1.96 116.67 125.06 1nir s ASP 176 Ca -0.01 1.63 0.00 0.00 0.71 0.00 0.00 52.55 54.88 1nir s ASP 176 Cb -0.13 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1nir s ASP 176 CO 0.03 -0.45 0.00 0.35 0.21 0.00 0.00 175.17 175.31 1nir n THR 177 N 4.44 0.00 -1.38 -1.27 -2.24 -0.18 -4.97 114.28 108.68 1nir n THR 177 Ca 0.09 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.58 1nir n THR 177 Cb 0.48 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.87 1nir n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nir s GLY 178 N -0.25 1.57 0.16 3.38 0.00 -1.26 -4.69 107.32 106.23 1nir s GLY 178 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.92 1nir s GLY 178 CO 0.00 0.10 1.24 -0.47 0.00 0.00 0.00 173.10 173.97 1nir s TYR 179 N -3.16 3.38 -1.04 1.90 5.04 -1.26 -4.15 117.35 118.06 1nir s TYR 179 Ca 0.65 1.32 -0.16 0.00 -2.44 0.00 0.00 57.07 56.44 1nir s TYR 179 Cb -0.16 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1nir s TYR 179 CO 0.55 -1.46 0.73 0.00 -1.34 0.00 0.00 175.55 174.04 1nir n ALA 180 N 2.88 -2.61 -1.55 3.97 0.00 -1.09 -1.91 120.51 120.21 1nir n ALA 180 Ca 0.06 -0.26 -0.47 0.00 0.00 0.00 0.00 53.44 52.76 1nir n ALA 180 Cb 0.44 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.91 1nir n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nir n VAL 181 N -3.70 1.54 -0.11 0.00 0.31 -1.26 -2.99 118.33 112.11 1nir n VAL 181 Ca -0.13 -0.39 -0.17 0.00 -0.01 0.00 0.00 64.34 63.65 1nir n VAL 181 Cb 0.60 -0.73 -0.13 0.00 -0.91 0.00 0.00 33.84 32.67 1nir n VAL 181 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1nir n HIS 182 N 0.67 0.11 -3.83 3.52 -0.00 0.11 -4.86 115.22 110.94 1nir n HIS 182 Ca 0.13 0.02 -0.09 0.00 0.46 0.00 0.00 57.72 58.24 1nir n HIS 182 Cb 0.27 -1.01 -0.07 0.00 -0.12 0.00 0.00 29.99 29.06 1nir n HIS 182 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1nir s ILE 183 N -2.52 0.13 0.04 3.57 -4.36 -1.26 -4.80 121.20 111.99 1nir s ILE 183 Ca -0.30 -1.04 0.06 0.00 -0.26 0.00 0.00 60.65 59.11 1nir s ILE 183 Cb 0.08 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.54 1nir s ILE 183 CO 0.65 -0.58 -0.15 -0.44 0.24 0.00 0.00 174.94 174.66 1nir s SER 184 N -2.67 4.00 0.01 4.36 0.01 -1.26 -3.28 113.70 114.87 1nir s SER 184 Ca 0.02 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.88 1nir s SER 184 Cb 0.03 -0.72 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 1nir s SER 184 CO -0.09 0.26 0.05 -0.13 0.41 0.00 0.00 173.24 173.74 1nir s ARG 185 N -1.48 0.41 0.07 12.44 1.81 0.44 -4.98 118.95 127.67 1nir s ARG 185 Ca 0.15 -0.53 0.03 0.00 -1.72 0.00 0.00 55.73 53.67 1nir s ARG 185 Cb -0.11 0.16 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 1nir s ARG 185 CO 0.06 -0.09 0.04 -1.64 -0.68 0.00 0.00 175.30 173.00 1nir s MET 186 N -1.52 2.75 0.66 3.54 -1.94 -1.26 -0.21 119.30 121.32 1nir s MET 186 Ca -0.15 -0.73 -0.11 0.00 -1.71 0.00 0.00 55.69 53.00 1nir s MET 186 Cb -0.08 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 1nir s MET 186 CO -0.00 0.57 1.05 -1.54 -0.01 0.00 0.00 175.02 175.08 1nir s SER 187 N -2.24 5.71 0.59 3.03 1.04 -0.38 -4.71 113.70 116.74 1nir s SER 187 Ca 0.27 1.55 0.35 0.00 0.48 0.00 0.00 55.95 58.59 1nir s SER 187 Cb -0.12 -2.49 1.86 0.00 0.10 0.00 0.00 66.02 65.37 1nir s SER 187 CO 0.19 -1.22 2.20 0.00 0.98 0.00 0.00 173.24 175.39 1nir h ALA 188 N -0.54 1.19 0.00 5.32 0.00 -1.91 -2.10 119.26 121.22 1nir h ALA 188 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nir h ALA 188 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nir h ALA 188 CO 0.59 0.05 -0.14 0.66 0.00 0.00 0.00 179.25 180.41 1nir h SER 189 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.48 113.55 112.80 1nir h SER 189 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1nir h SER 189 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1nir h SER 189 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1nir n GLY 190 N 1.25 0.76 0.13 -0.77 0.00 -0.79 -4.92 105.19 100.86 1nir n GLY 190 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1nir n GLY 190 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nir n ARG 191 N -2.40 0.74 -4.22 1.61 0.63 -1.26 -4.95 116.66 106.81 1nir n ARG 191 Ca 0.00 0.24 -0.35 0.00 -0.92 0.00 0.00 57.85 56.83 1nir n ARG 191 Cb 0.00 -1.68 -0.09 0.00 0.45 0.00 0.00 32.46 31.13 1nir n ARG 191 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1nir s TYR 192 N -2.55 3.23 -0.15 -0.14 2.02 -1.26 -1.98 117.35 116.51 1nir s TYR 192 Ca -0.23 0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 56.58 1nir s TYR 192 Cb 0.07 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1nir s TYR 192 CO 0.75 0.39 0.04 -1.17 -1.57 0.00 0.00 175.55 173.99 1nir s LEU 193 N -0.50 3.75 -0.06 -1.29 0.20 0.23 -1.25 118.68 119.76 1nir s LEU 193 Ca 0.09 0.12 0.06 0.00 0.69 0.00 0.00 54.13 55.09 1nir s LEU 193 Cb -0.12 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1nir s LEU 193 CO 0.02 0.26 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.33 1nir s LEU 194 N -0.13 2.06 0.05 -0.68 1.43 0.71 -0.71 118.68 121.42 1nir s LEU 194 Ca 0.06 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1nir s LEU 194 Cb -0.12 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1nir s LEU 194 CO 0.01 0.23 -0.10 0.68 0.23 0.00 0.00 176.35 177.40 1nir s VAL 195 N -0.09 0.74 -0.02 -1.59 -7.23 -0.85 -0.42 120.40 110.95 1nir s VAL 195 Ca -0.06 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1nir s VAL 195 Cb -0.14 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.05 1nir s VAL 195 CO 0.04 -0.32 0.01 -0.51 -0.31 0.00 0.00 175.10 174.01 1nir s ILE 196 N -1.32 0.09 0.55 -0.62 2.07 -1.21 -1.60 121.20 119.16 1nir s ILE 196 Ca -0.07 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 1nir s ILE 196 Cb -0.10 -0.17 -0.00 0.00 0.13 0.00 0.00 42.46 42.32 1nir s ILE 196 CO 0.01 0.10 0.85 -0.83 -1.91 0.00 0.00 174.94 173.16 1nir s GLY 197 N 0.75 1.58 0.39 1.50 0.00 -0.01 -0.71 107.32 110.81 1nir s GLY 197 Ca -0.07 -0.68 0.27 0.00 0.00 0.00 0.00 44.72 44.24 1nir s GLY 197 CO -0.02 -0.44 1.83 0.07 0.00 0.00 0.00 173.10 174.54 1nir h ARG 198 N -0.03 0.00 -0.21 2.90 0.11 -1.28 0.01 114.38 115.89 1nir h ARG 198 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1nir h ARG 198 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1nir h ARG 198 CO 0.61 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.28 1nir n ASP 199 N -2.48 1.10 -0.20 0.08 5.68 -1.26 -2.03 116.55 117.44 1nir n ASP 199 Ca -0.00 -2.00 -0.03 0.00 -0.50 0.00 0.00 54.79 52.26 1nir n ASP 199 Cb 0.12 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 1nir n ASP 199 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nir n ALA 200 N 0.10 -0.04 -2.71 2.12 0.00 -0.01 -4.39 120.51 115.58 1nir n ALA 200 Ca 0.07 0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 1nir n ALA 200 Cb 0.17 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 1nir n ALA 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nir s ARG 201 N -1.44 4.37 -0.04 0.00 3.52 -1.26 -2.40 118.95 121.70 1nir s ARG 201 Ca 0.00 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.26 1nir s ARG 201 Cb 0.00 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1nir s ARG 201 CO 0.00 0.08 -0.06 0.42 -0.81 0.00 0.00 175.30 174.93 1nir s ILE 202 N 0.81 3.76 -0.07 4.11 1.01 0.96 -0.83 121.20 130.95 1nir s ILE 202 Ca 0.31 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1nir s ILE 202 Cb -0.16 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1nir s ILE 202 CO 0.14 0.51 -0.05 -1.81 0.00 0.00 0.00 174.94 173.73 1nir s ASP 203 N -1.08 1.49 -0.30 3.58 1.01 -0.63 -1.57 116.67 119.16 1nir s ASP 203 Ca 0.15 -0.18 -0.13 0.00 0.71 0.00 0.00 52.55 53.09 1nir s ASP 203 Cb -0.11 -0.59 -0.03 0.00 1.01 0.00 0.00 42.92 43.20 1nir s ASP 203 CO 0.04 -0.09 0.28 -0.32 0.21 0.00 0.00 175.17 175.29 1nir s MET 204 N 1.31 3.78 -0.09 8.23 -2.45 -0.20 -2.01 119.30 127.86 1nir s MET 204 Ca -0.04 -0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1nir s MET 204 Cb -0.14 -3.72 -0.02 0.00 1.25 0.00 0.00 34.83 32.20 1nir s MET 204 CO -0.02 -0.33 -0.15 0.42 1.05 0.00 0.00 175.02 175.99 1nir s ILE 205 N 1.88 2.96 -0.39 10.11 1.01 0.11 -0.20 121.20 136.68 1nir s ILE 205 Ca 0.10 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1nir s ILE 205 Cb -0.16 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.12 1nir s ILE 205 CO 0.11 0.55 0.38 -0.62 0.00 0.00 0.00 174.94 175.36 1nir s ASP 206 N -0.10 6.17 0.00 3.58 2.15 0.05 -0.60 116.67 127.92 1nir s ASP 206 Ca -0.02 -0.53 0.31 0.00 0.43 0.00 0.00 52.55 52.73 1nir s ASP 206 Cb -0.14 -2.20 1.71 0.00 -0.30 0.00 0.00 42.92 41.99 1nir s ASP 206 CO 0.04 -0.45 2.13 0.18 -0.17 0.00 0.00 175.17 176.90 1nir n LEU 207 N 5.43 0.07 0.01 -1.34 4.77 -0.84 -3.12 117.00 121.98 1nir n LEU 207 Ca -0.09 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1nir n LEU 207 Cb 0.48 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1nir n LEU 207 CO 0.43 0.01 0.13 0.79 -1.33 0.00 0.00 177.39 177.42 1nir n TRP 208 N -1.06 0.15 -2.38 -1.77 7.02 -1.26 -4.77 117.44 113.36 1nir n TRP 208 Ca 0.20 0.04 -0.35 0.00 -1.02 0.00 0.00 57.50 56.37 1nir n TRP 208 Cb 0.17 -0.31 -0.01 0.00 -2.42 0.00 0.00 31.31 28.74 1nir n TRP 208 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nir s ALA 209 N -3.10 2.80 0.14 6.99 0.00 -1.21 0.85 121.76 128.23 1nir s ALA 209 Ca 0.07 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1nir s ALA 209 Cb 0.16 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 20.16 1nir s ALA 209 CO 0.78 -0.56 0.86 1.63 0.00 0.00 0.00 175.76 178.47 1nir n LYS 210 N -1.04 -0.08 -4.77 0.00 4.76 -1.26 -3.62 118.16 112.14 1nir n LYS 210 Ca 0.10 0.85 -0.28 0.00 -2.87 0.00 0.00 58.31 56.12 1nir n LYS 210 Cb 0.51 -1.27 -0.17 0.00 -1.84 0.00 0.00 35.03 32.26 1nir n LYS 210 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1nir s GLU 211 N -5.62 2.21 -0.14 1.97 2.02 -1.26 -4.52 118.70 113.35 1nir s GLU 211 Ca -0.08 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 1nir s GLU 211 Cb 0.13 -1.76 -0.08 0.00 0.10 0.00 0.00 34.13 32.53 1nir s GLU 211 CO 0.41 0.06 2.11 -2.30 0.02 0.00 0.00 175.26 175.57 1nir n PRO 212 N 3.78 2.16 -4.21 0.39 -0.02 -1.24 -4.92 135.00 130.93 1nir n PRO 212 Ca -0.21 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 1nir n PRO 212 Cb 0.52 -3.02 -0.10 0.00 -0.02 0.00 0.00 33.50 30.88 1nir n PRO 212 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nir s THR 213 N 6.61 0.65 0.39 3.45 -4.23 -1.18 -4.96 115.64 116.36 1nir s THR 213 Ca 0.97 -1.96 -0.25 0.00 -1.18 0.00 0.00 61.69 59.28 1nir s THR 213 Cb -0.46 -1.95 -0.09 0.00 1.34 0.00 0.00 72.50 71.34 1nir s THR 213 CO 0.41 -0.62 1.08 -0.54 -0.54 0.00 0.00 174.62 174.41 1nir s LYS 214 N -3.89 4.17 0.00 3.99 1.02 -1.26 -0.77 119.74 122.99 1nir s LYS 214 Ca 0.19 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.80 1nir s LYS 214 Cb 0.06 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1nir s LYS 214 CO 0.01 -0.16 0.00 1.33 -0.92 0.00 0.00 175.35 175.61 1nir n VAL 215 N 0.07 0.00 -3.59 3.17 0.24 0.72 -4.64 118.33 114.29 1nir n VAL 215 Ca 0.04 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.34 61.85 1nir n VAL 215 Cb 0.48 0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 1nir n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nir s ALA 216 N -0.93 -2.07 0.23 2.33 0.00 -1.21 -0.61 121.76 119.51 1nir s ALA 216 Ca 0.00 1.53 -0.22 0.00 0.00 0.00 0.00 51.96 53.27 1nir s ALA 216 Cb 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.09 1nir s ALA 216 CO 0.00 -0.62 0.73 -1.83 0.00 0.00 0.00 175.76 174.04 1nir s GLU 217 N -2.45 1.57 -0.27 0.00 -1.05 -0.90 -1.03 118.70 114.56 1nir s GLU 217 Ca 0.09 -0.81 -0.33 0.00 -0.15 0.00 0.00 54.97 53.77 1nir s GLU 217 Cb -0.01 0.57 0.17 0.00 -0.44 0.00 0.00 34.13 34.42 1nir s GLU 217 CO -0.05 -0.71 1.33 -1.50 0.95 0.00 0.00 175.26 175.28 1nir s ILE 218 N -3.77 0.00 -0.19 1.83 2.07 -0.61 -2.04 121.20 118.49 1nir s ILE 218 Ca 0.09 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.29 1nir s ILE 218 Cb -0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 1nir s ILE 218 CO 0.02 0.00 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.27 1nir s LYS 219 N -1.58 3.55 0.00 3.50 2.20 -1.26 -0.03 119.74 126.13 1nir s LYS 219 Ca 0.09 -0.56 0.12 0.00 -0.36 0.00 0.00 55.97 55.26 1nir s LYS 219 Cb -0.01 -3.01 0.30 0.00 -1.51 0.00 0.00 37.83 33.60 1nir s LYS 219 CO -0.05 0.01 1.22 0.44 -0.36 0.00 0.00 175.35 176.61 1nir n ILE 220 N 4.22 0.85 -3.27 5.43 -6.64 -1.01 -4.49 119.36 114.44 1nir n ILE 220 Ca -0.17 -0.92 0.00 0.00 -1.77 0.00 0.00 62.75 59.88 1nir n ILE 220 Cb 0.52 0.62 0.00 0.00 -1.44 0.00 0.00 39.64 39.33 1nir n ILE 220 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1nir n GLY 221 N 0.63 -1.04 0.05 3.28 0.00 -1.26 -4.81 105.19 102.04 1nir n GLY 221 Ca 0.12 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.29 1nir n GLY 221 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nir n ILE 222 N 2.42 0.65 -3.68 -0.61 -0.00 0.97 -4.61 119.36 114.49 1nir n ILE 222 Ca 0.00 -0.64 -0.10 0.00 -0.00 0.00 0.00 62.75 62.01 1nir n ILE 222 Cb 0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 39.64 39.32 1nir n ILE 222 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1nir s GLU 223 N -2.96 0.51 0.34 0.38 2.12 -1.03 -4.47 118.70 113.60 1nir s GLU 223 Ca -0.08 0.92 -0.03 0.00 0.36 0.00 0.00 54.97 56.13 1nir s GLU 223 Cb 0.10 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1nir s GLU 223 CO 0.82 -0.15 0.49 0.00 -0.54 0.00 0.00 175.26 175.89 1nir s ALA 224 N 1.36 0.67 0.00 6.30 0.00 -0.86 0.18 121.76 129.40 1nir s ALA 224 Ca -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1nir s ALA 224 Cb -0.07 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.18 1nir s ALA 224 CO -0.14 -0.80 0.00 0.54 0.00 0.00 0.00 175.76 175.36 1nir n ARG 225 N -0.56 1.31 -4.34 0.00 5.12 -1.21 -4.25 116.66 112.73 1nir n ARG 225 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.71 1nir n ARG 225 Cb 0.61 -0.23 -0.11 0.00 -1.16 0.00 0.00 32.46 31.57 1nir n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nir s SER 226 N -0.53 2.71 -0.09 0.55 0.15 -1.25 -4.44 113.70 110.80 1nir s SER 226 Ca 0.00 -0.87 -0.20 0.00 0.70 0.00 0.00 55.95 55.58 1nir s SER 226 Cb 0.00 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.19 1nir s SER 226 CO 0.00 -0.03 0.48 0.54 1.20 0.00 0.00 173.24 175.43 1nir s VAL 227 N -2.07 0.02 0.15 4.45 0.11 -1.26 -2.11 120.40 119.70 1nir s VAL 227 Ca 0.16 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 58.88 1nir s VAL 227 Cb -0.06 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1nir s VAL 227 CO 0.07 -0.09 0.44 -0.70 -3.33 0.00 0.00 175.10 171.49 1nir s GLU 228 N -0.69 1.19 0.09 1.54 2.56 0.92 -4.88 118.70 119.43 1nir s GLU 228 Ca -0.08 -0.78 0.09 0.00 0.00 0.00 0.00 54.97 54.20 1nir s GLU 228 Cb -0.03 0.49 -0.03 0.00 2.00 0.00 0.00 34.13 36.55 1nir s GLU 228 CO 0.04 -0.48 -0.24 0.45 -0.56 0.00 0.00 175.26 174.47 1nir s SER 229 N -2.84 2.95 0.02 -1.70 0.15 -1.26 -0.71 113.70 110.31 1nir s SER 229 Ca 0.06 -0.67 -0.30 0.00 0.70 0.00 0.00 55.95 55.74 1nir s SER 229 Cb 0.01 -0.21 -0.08 0.00 -1.71 0.00 0.00 66.02 64.03 1nir s SER 229 CO -0.08 0.16 1.77 -0.94 1.20 0.00 0.00 173.24 175.35 1nir s SER 230 N -1.73 6.56 0.00 5.45 1.04 -0.72 -4.64 113.70 119.66 1nir s SER 230 Ca 0.11 2.49 0.05 0.00 0.48 0.00 0.00 55.95 59.07 1nir s SER 230 Cb -0.10 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.57 1nir s SER 230 CO 0.04 -0.97 0.94 0.29 0.98 0.00 0.00 173.24 174.53 1nir n LYS 231 N 6.75 1.75 -2.46 4.02 5.02 -1.26 -4.28 118.16 127.70 1nir n LYS 231 Ca 0.18 -1.39 -0.40 0.00 -2.02 0.00 0.00 58.31 54.68 1nir n LYS 231 Cb 0.41 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.28 1nir n LYS 231 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1nir s PHE 232 N -0.78 3.56 -0.09 2.13 5.36 -1.24 -4.81 117.98 122.12 1nir s PHE 232 Ca 0.08 1.67 -0.37 0.00 -0.96 0.00 0.00 56.93 57.36 1nir s PHE 232 Cb 0.05 -3.30 -0.14 0.00 -0.34 0.00 0.00 43.02 39.28 1nir s PHE 232 CO 0.06 -0.62 1.71 1.17 -1.46 0.00 0.00 175.22 176.08 1nir n LYS 233 N 1.30 1.68 -0.33 10.12 4.81 -1.26 -1.12 118.16 133.35 1nir n LYS 233 Ca -0.01 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1nir n LYS 233 Cb 0.45 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1nir n LYS 233 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nir n GLY 234 N 3.90 0.79 1.18 3.14 0.00 -1.26 -4.95 105.19 108.00 1nir n GLY 234 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1nir n GLY 234 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nir n TYR 235 N -2.25 0.53 -1.87 1.61 4.02 -0.28 -5.02 117.16 113.89 1nir n TYR 235 Ca 0.00 -1.43 -0.42 0.00 -0.01 0.00 0.00 57.90 56.03 1nir n TYR 235 Cb 0.00 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.05 1nir n TYR 235 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1nir s GLU 236 N -2.61 4.10 -1.58 -0.72 2.02 -1.26 -2.26 118.70 116.39 1nir s GLU 236 Ca 0.38 2.30 -0.04 0.00 0.02 0.00 0.00 54.97 57.64 1nir s GLU 236 Cb 0.38 -4.07 0.01 0.00 0.10 0.00 0.00 34.13 30.55 1nir s GLU 236 CO -0.07 -0.97 0.45 -0.25 0.02 0.00 0.00 175.26 174.44 1nir n ASP 237 N 7.56 -5.89 -0.01 -0.19 9.92 -1.26 -4.91 116.55 121.78 1nir n ASP 237 Ca 0.19 -0.22 -0.21 0.00 -0.53 0.00 0.00 54.79 54.02 1nir n ASP 237 Cb 0.42 -4.80 -0.14 0.00 -0.64 0.00 0.00 41.12 35.97 1nir n ASP 237 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1nir h ARG 238 N -1.02 0.20 -3.85 -1.24 2.47 -1.72 -3.31 114.38 105.91 1nir h ARG 238 Ca -0.51 -0.35 -0.12 0.00 -1.26 0.00 0.00 59.98 57.74 1nir h ARG 238 Cb 1.36 0.13 -0.17 0.00 -1.65 0.00 0.00 29.97 29.64 1nir h ARG 238 CO 0.57 1.17 -0.53 0.71 0.56 0.00 0.00 179.97 182.44 1nir s TYR 239 N -2.45 0.23 -0.07 3.04 2.02 -1.26 -1.75 117.35 117.11 1nir s TYR 239 Ca -0.21 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 55.92 1nir s TYR 239 Cb 0.04 -0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.46 1nir s TYR 239 CO 0.74 -0.37 -0.02 0.99 -1.57 0.00 0.00 175.55 175.32 1nir s THR 240 N -2.79 0.48 0.19 -0.71 2.01 -0.57 -1.76 115.64 112.48 1nir s THR 240 Ca -0.03 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.07 1nir s THR 240 Cb -0.00 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1nir s THR 240 CO -0.05 0.26 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.53 1nir s ILE 241 N 1.65 3.20 -0.08 1.82 2.07 0.11 -0.82 121.20 129.15 1nir s ILE 241 Ca 0.01 -1.68 -0.15 0.00 -1.41 0.00 0.00 60.65 57.41 1nir s ILE 241 Cb -0.13 -2.59 0.03 0.00 0.13 0.00 0.00 42.46 39.90 1nir s ILE 241 CO -0.04 -0.13 0.38 0.00 -1.91 0.00 0.00 174.94 173.24 1nir s ALA 242 N -1.75 -0.95 -0.04 1.50 0.00 -0.84 -0.06 121.76 119.62 1nir s ALA 242 Ca 0.25 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1nir s ALA 242 Cb -0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1nir s ALA 242 CO 0.15 -0.23 -0.11 0.20 0.00 0.00 0.00 175.76 175.77 1nir s GLY 243 N -0.56 1.62 0.24 0.00 0.00 -0.89 -1.53 107.32 106.20 1nir s GLY 243 Ca -0.07 -0.98 0.10 0.00 0.00 0.00 0.00 44.72 43.77 1nir s GLY 243 CO 0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 173.10 172.24 1nir s ALA 244 N -0.82 2.96 -0.16 3.20 0.00 -0.45 -3.36 121.76 123.13 1nir s ALA 244 Ca 0.13 -1.66 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 1nir s ALA 244 Cb -0.11 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 1nir s ALA 244 CO 0.03 0.34 0.04 1.88 0.00 0.00 0.00 175.76 178.04 1nir h TYR 245 N 2.36 0.00 -3.27 0.00 -1.99 0.16 -2.95 116.97 111.29 1nir h TYR 245 Ca -0.44 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 59.73 1nir h TYR 245 Cb 1.24 0.00 -0.35 0.00 2.00 0.00 0.00 36.73 39.62 1nir h TYR 245 CO 0.70 0.53 -0.83 -0.46 -0.00 0.00 0.00 178.16 178.11 1nir s TRP 246 N -2.18 1.81 0.83 4.88 -0.11 -0.87 -3.21 118.94 120.09 1nir s TRP 246 Ca -0.17 -0.84 -0.12 0.00 1.22 0.00 0.00 56.10 56.19 1nir s TRP 246 Cb 0.03 -1.34 0.09 0.00 -1.50 0.00 0.00 33.47 30.75 1nir s TRP 246 CO 0.34 -0.46 1.12 -2.14 -4.62 0.00 0.00 176.95 171.19 1nir s PRO 247 N 1.09 1.78 -0.94 5.86 0.02 -1.26 -0.02 135.00 141.53 1nir s PRO 247 Ca -0.05 0.44 -0.24 0.00 0.02 0.00 0.00 61.00 61.17 1nir s PRO 247 Cb -0.14 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1nir s PRO 247 CO -0.02 -1.79 1.94 -2.14 -0.33 0.00 0.00 177.00 174.65 1nir s PRO 248 N -5.26 2.57 0.26 5.54 0.02 -1.20 -4.59 135.00 132.34 1nir s PRO 248 Ca 0.62 -0.41 -0.21 0.00 0.02 0.00 0.00 61.00 61.02 1nir s PRO 248 Cb -0.14 -5.09 0.05 0.00 0.02 0.00 0.00 34.50 29.34 1nir s PRO 248 CO 0.53 -3.43 0.87 1.14 -0.33 0.00 0.00 177.00 175.78 1nir s GLN 249 N 6.91 1.65 -0.01 5.54 -2.07 -1.26 -1.19 119.66 129.22 1nir s GLN 249 Ca 0.69 -0.99 -0.06 0.00 -1.82 0.00 0.00 55.36 53.19 1nir s GLN 249 Cb -0.06 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 1nir s GLN 249 CO 0.01 -0.77 0.12 -0.59 -1.32 0.00 0.00 175.29 172.74 1nir s PHE 250 N -2.98 -0.00 0.04 9.60 -0.12 -0.51 -1.35 117.98 122.66 1nir s PHE 250 Ca 0.15 -0.00 0.04 0.00 -0.05 0.00 0.00 56.93 57.06 1nir s PHE 250 Cb -0.04 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 1nir s PHE 250 CO 0.07 -0.21 -0.11 0.00 -0.05 0.00 0.00 175.22 174.92 1nir s ALA 251 N -0.90 0.87 -0.13 1.99 0.00 -0.58 -1.25 121.76 121.76 1nir s ALA 251 Ca -0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1nir s ALA 251 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1nir s ALA 251 CO 0.01 0.12 -0.06 0.42 0.00 0.00 0.00 175.76 176.24 1nir s ILE 252 N -0.99 3.70 0.27 0.00 1.01 -0.04 -1.99 121.20 123.16 1nir s ILE 252 Ca -0.03 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1nir s ILE 252 Cb -0.08 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1nir s ILE 252 CO 0.01 0.53 0.07 -0.04 0.00 0.00 0.00 174.94 175.51 1nir s MET 253 N 0.04 1.45 0.04 2.79 -1.94 0.00 -1.10 119.30 120.58 1nir s MET 253 Ca -0.01 -1.78 -0.30 0.00 -1.71 0.00 0.00 55.69 51.88 1nir s MET 253 Cb -0.14 -0.44 -0.08 0.00 2.01 0.00 0.00 34.83 36.18 1nir s MET 253 CO 0.03 -0.24 1.72 0.34 -0.01 0.00 0.00 175.02 176.86 1nir s ASP 254 N -3.35 6.58 0.00 3.03 -1.08 -0.53 -1.51 116.67 119.80 1nir s ASP 254 Ca 0.36 2.49 0.16 0.00 -0.52 0.00 0.00 52.55 55.03 1nir s ASP 254 Cb 0.08 -2.55 0.87 0.00 -1.46 0.00 0.00 42.92 39.85 1nir s ASP 254 CO 0.13 -0.93 1.40 0.61 0.52 0.00 0.00 175.17 176.90 1nir n GLY 255 N 4.13 -0.65 0.04 2.66 0.00 -0.72 0.79 105.19 111.44 1nir n GLY 255 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1nir n GLY 255 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nir n GLU 256 N -1.15 1.85 0.00 1.61 4.07 -1.25 -4.67 120.64 121.10 1nir n GLU 256 Ca 0.10 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1nir n GLU 256 Cb 0.09 -1.18 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 1nir n GLU 256 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1nir n THR 257 N -2.45 0.00 -1.01 6.31 -2.24 -1.17 -4.85 114.28 108.86 1nir n THR 257 Ca -0.13 -0.24 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1nir n THR 257 Cb 0.71 0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1nir n THR 257 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nir n LEU 258 N -1.16 0.06 -4.68 3.22 4.77 0.24 -4.77 117.00 114.67 1nir n LEU 258 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1nir n LEU 258 Cb 0.00 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 1nir n LEU 258 CO 0.00 -0.09 1.52 1.21 -1.33 0.00 0.00 177.39 178.70 1nir n GLU 259 N -2.68 2.85 -1.73 3.23 2.13 -1.26 -4.47 120.64 118.71 1nir n GLU 259 Ca -0.00 1.04 -0.42 0.00 0.66 0.00 0.00 57.16 58.44 1nir n GLU 259 Cb 0.05 -2.95 -0.02 0.00 0.27 0.00 0.00 31.44 28.78 1nir n GLU 259 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1nir n PRO 260 N 6.12 2.73 0.02 5.31 -0.01 -1.26 -1.46 135.00 146.45 1nir n PRO 260 Ca 0.18 0.98 -0.02 0.00 -0.01 0.00 0.00 63.50 64.63 1nir n PRO 260 Cb 0.39 -2.79 -0.01 0.00 -0.01 0.00 0.00 33.50 31.08 1nir n PRO 260 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1nir n LYS 261 N 3.00 0.10 -4.16 -0.52 4.76 -0.26 -4.92 118.16 116.16 1nir n LYS 261 Ca 0.12 0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.43 1nir n LYS 261 Cb 0.36 -0.68 -0.12 0.00 -1.84 0.00 0.00 35.03 32.75 1nir n LYS 261 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1nir s GLN 262 N -2.16 0.79 -0.04 1.97 -1.52 -0.75 -5.00 119.66 112.94 1nir s GLN 262 Ca -0.06 -0.97 -0.01 0.00 -1.95 0.00 0.00 55.36 52.37 1nir s GLN 262 Cb 0.01 -0.71 0.03 0.00 -0.22 0.00 0.00 33.01 32.12 1nir s GLN 262 CO 0.08 0.15 0.04 0.42 -0.25 0.00 0.00 175.29 175.73 1nir s ILE 263 N -1.51 0.03 -0.05 1.08 1.01 -1.26 -0.86 121.20 119.63 1nir s ILE 263 Ca -0.01 0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.96 1nir s ILE 263 Cb -0.09 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.16 1nir s ILE 263 CO 0.02 0.17 -0.17 -0.69 0.00 0.00 0.00 174.94 174.27 1nir s VAL 264 N 1.78 1.42 0.25 2.92 1.01 -0.38 -5.01 120.40 122.38 1nir s VAL 264 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 1nir s VAL 264 Cb -0.12 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 1nir s VAL 264 CO -0.03 0.41 0.84 -0.55 0.00 0.00 0.00 175.10 175.77 1nir s SER 265 N 0.18 7.31 0.00 3.32 0.15 -1.26 -1.43 113.70 121.97 1nir s SER 265 Ca -0.07 1.69 0.20 0.00 0.70 0.00 0.00 55.95 58.46 1nir s SER 265 Cb -0.13 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1nir s SER 265 CO 0.03 0.06 0.97 0.35 1.20 0.00 0.00 173.24 175.85 1nir n THR 266 N 0.98 0.00 -1.68 6.45 -2.24 -0.34 -4.93 114.28 112.52 1nir n THR 266 Ca -0.02 -0.27 -0.46 0.00 -2.27 0.00 0.00 64.05 61.03 1nir n THR 266 Cb 0.50 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.90 1nir n THR 266 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nir n ARG 267 N -0.17 2.37 -0.74 -0.78 1.74 -1.26 -4.65 116.66 113.17 1nir n ARG 267 Ca 0.08 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 1nir n ARG 267 Cb 0.40 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.15 1nir n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nir n GLY 268 N 4.01 0.99 3.82 -0.13 0.00 -1.25 -5.04 105.19 107.59 1nir n GLY 268 Ca 0.19 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1nir n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nir s MET 269 N -0.23 4.20 0.71 1.61 -1.94 -1.26 -1.26 119.30 121.13 1nir s MET 269 Ca 0.00 0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 54.78 1nir s MET 269 Cb 0.00 -2.57 0.01 0.00 2.01 0.00 0.00 34.83 34.28 1nir s MET 269 CO 0.00 0.21 1.07 0.95 -0.01 0.00 0.00 175.02 177.25 1nir s THR 270 N -1.83 3.77 0.04 2.05 -4.23 0.22 -4.87 115.64 110.80 1nir s THR 270 Ca 0.52 0.58 0.02 0.00 -1.18 0.00 0.00 61.69 61.63 1nir s THR 270 Cb -0.13 -3.45 -0.25 0.00 1.34 0.00 0.00 72.50 70.01 1nir s THR 270 CO 0.19 -0.75 1.00 1.62 -0.54 0.00 0.00 174.62 176.14 1nir h VAL 271 N -0.71 1.34 0.00 2.29 3.04 -1.66 -2.85 116.25 117.70 1nir h VAL 271 Ca -0.45 -3.02 0.00 0.00 -1.01 0.00 0.00 66.70 62.22 1nir h VAL 271 Cb 1.23 2.76 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 1nir h VAL 271 CO 0.61 0.83 -0.08 -2.24 -1.01 0.00 0.00 177.57 175.67 1nir h ASP 272 N 0.04 0.00 1.71 3.17 2.03 -1.94 -3.40 116.42 118.03 1nir h ASP 272 Ca -0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1nir h ASP 272 Cb 1.93 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.43 1nir h ASP 272 CO 0.14 0.23 -0.20 0.71 -1.03 0.00 0.00 179.24 179.09 1nir h THR 273 N -0.39 0.00 -5.97 1.15 1.35 -2.00 -3.47 112.91 103.58 1nir h THR 273 Ca 0.00 -0.91 -0.41 0.00 -0.55 0.00 0.00 66.41 64.54 1nir h THR 273 Cb 0.08 1.81 0.08 0.00 -1.73 0.00 0.00 68.15 68.39 1nir h THR 273 CO 0.00 0.00 -0.74 0.00 -0.25 0.00 0.00 175.52 174.53 1nir n GLN 274 N -2.88 -6.57 -4.34 4.72 6.02 -1.08 -4.96 117.38 108.29 1nir n GLN 274 Ca 0.03 0.74 -0.24 0.00 -0.01 0.00 0.00 57.00 57.53 1nir n GLN 274 Cb 0.52 -5.66 -0.08 0.00 1.02 0.00 0.00 30.24 26.03 1nir n GLN 274 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1nir s THR 275 N -3.38 2.95 0.20 5.09 -4.23 -1.26 -4.70 115.64 110.30 1nir s THR 275 Ca 0.40 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 1nir s THR 275 Cb -0.19 -2.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 1nir s THR 275 CO 0.77 -0.31 1.14 -0.47 -0.54 0.00 0.00 174.62 175.21 1nir s TYR 276 N -2.43 3.51 -0.28 3.99 5.04 -1.26 -0.61 117.35 125.30 1nir s TYR 276 Ca 0.32 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.50 1nir s TYR 276 Cb -0.04 -3.35 0.08 0.00 0.35 0.00 0.00 41.96 39.00 1nir s TYR 276 CO 0.19 -0.87 0.01 -1.58 -1.34 0.00 0.00 175.55 171.96 1nir s HIS 277 N -0.30 2.57 -2.00 4.97 5.65 -0.39 -4.94 115.29 120.86 1nir s HIS 277 Ca 0.50 -2.07 0.02 0.00 0.25 0.00 0.00 55.06 53.76 1nir s HIS 277 Cb -0.31 -1.96 0.12 0.00 -1.18 0.00 0.00 32.58 29.25 1nir s HIS 277 CO 0.37 -0.85 0.50 -0.35 -0.65 0.00 0.00 174.74 173.76 1nir n PRO 278 N 4.61 0.09 -2.68 2.88 -0.05 -1.26 -3.76 135.00 134.83 1nir n PRO 278 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.39 1nir n PRO 278 Cb 0.43 -1.37 0.09 0.00 -0.05 0.00 0.00 33.50 32.60 1nir n PRO 278 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1nir n GLU 279 N -0.87 1.47 -1.64 0.54 2.13 -1.26 -4.96 120.64 116.05 1nir n GLU 279 Ca 0.02 -2.24 -0.42 0.00 0.66 0.00 0.00 57.16 55.17 1nir n GLU 279 Cb 0.01 -0.48 -0.03 0.00 0.27 0.00 0.00 31.44 31.20 1nir n GLU 279 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1nir s PRO 280 N -1.62 2.96 0.32 5.31 0.05 -1.25 -4.90 135.00 135.86 1nir s PRO 280 Ca 0.17 1.86 -0.24 0.00 0.05 0.00 0.00 61.00 62.84 1nir s PRO 280 Cb 0.38 -4.40 -0.10 0.00 0.05 0.00 0.00 34.50 30.44 1nir s PRO 280 CO -0.09 -2.30 0.90 1.03 0.05 0.00 0.00 177.00 176.59 1nir s ARG 281 N 6.64 4.47 -0.08 4.56 0.52 -1.26 -4.62 118.95 129.17 1nir s ARG 281 Ca 0.98 1.20 -0.23 0.00 -0.52 0.00 0.00 55.73 57.17 1nir s ARG 281 Cb -0.29 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1nir s ARG 281 CO 0.33 0.26 0.68 0.08 0.02 0.00 0.00 175.30 176.68 1nir s VAL 282 N -1.67 5.05 0.00 3.52 1.01 -1.11 -1.40 120.40 125.80 1nir s VAL 282 Ca 0.50 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1nir s VAL 282 Cb -0.17 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1nir s VAL 282 CO 0.22 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.56 1nir n ALA 283 N 3.91 0.00 -1.75 5.51 0.00 0.29 -4.57 120.51 123.90 1nir n ALA 283 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1nir n ALA 283 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 1nir n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nir s ALA 284 N -2.89 2.56 -0.01 0.00 0.00 -0.84 -4.54 121.76 116.03 1nir s ALA 284 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1nir s ALA 284 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1nir s ALA 284 CO 0.00 -1.30 -0.00 0.42 0.00 0.00 0.00 175.76 174.88 1nir s ILE 285 N -1.49 0.10 -0.01 0.00 1.01 -1.26 -1.57 121.20 117.98 1nir s ILE 285 Ca 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 1nir s ILE 285 Cb -0.34 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1nir s ILE 285 CO 0.37 0.07 0.03 -0.51 0.00 0.00 0.00 174.94 174.90 1nir s ILE 286 N 0.36 -0.00 -0.09 2.92 2.07 -0.21 -4.85 121.20 121.40 1nir s ILE 286 Ca -0.03 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.96 1nir s ILE 286 Cb -0.05 -0.05 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1nir s ILE 286 CO -0.01 0.00 0.77 0.00 -1.91 0.00 0.00 174.94 173.79 1nir s ALA 287 N 0.03 3.36 0.52 1.50 0.00 -1.26 -0.40 121.76 125.51 1nir s ALA 287 Ca -0.00 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 1nir s ALA 287 Cb -0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1nir s ALA 287 CO -0.00 -0.28 1.03 0.45 0.00 0.00 0.00 175.76 176.95 1nir s SER 288 N 0.94 6.25 0.00 0.00 0.15 -0.75 -4.85 113.70 115.44 1nir s SER 288 Ca 0.39 1.81 0.05 0.00 0.70 0.00 0.00 55.95 58.90 1nir s SER 288 Cb -0.18 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1nir s SER 288 CO 0.18 -0.84 0.24 1.41 1.20 0.00 0.00 173.24 175.42 1nir n HIS 289 N -1.41 0.00 -0.03 3.44 8.25 -1.26 -3.62 115.22 120.59 1nir n HIS 289 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 1nir n HIS 289 Cb 0.53 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 1nir n HIS 289 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1nir n GLU 290 N -0.96 0.66 -3.81 -0.41 -0.58 -1.26 -4.78 120.64 109.50 1nir n GLU 290 Ca 0.01 0.26 -0.12 0.00 -0.42 0.00 0.00 57.16 56.88 1nir n GLU 290 Cb 0.08 -1.74 -0.11 0.00 -0.57 0.00 0.00 31.44 29.09 1nir n GLU 290 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1nir s HIS 291 N -2.58 -0.17 -0.56 -0.32 3.76 -1.26 -5.01 115.29 109.15 1nir s HIS 291 Ca -0.09 0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.93 1nir s HIS 291 Cb 0.08 0.05 -0.29 0.00 1.11 0.00 0.00 32.58 33.53 1nir s HIS 291 CO 0.81 -0.17 1.85 -0.35 -0.85 0.00 0.00 174.74 176.03 1nir n PRO 292 N 2.53 0.22 -3.89 8.40 -0.04 -1.26 -4.58 135.00 136.38 1nir n PRO 292 Ca -0.15 -1.43 -0.09 0.00 -0.04 0.00 0.00 63.50 61.78 1nir n PRO 292 Cb 0.58 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 1nir n PRO 292 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nir s GLU 293 N 7.49 1.10 -0.14 0.54 2.02 -1.26 -2.05 118.70 126.39 1nir s GLU 293 Ca 0.74 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 1nir s GLU 293 Cb 0.06 0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.66 1nir s GLU 293 CO 0.26 -0.40 -0.09 -0.06 0.02 0.00 0.00 175.26 174.98 1nir s PHE 294 N -3.92 2.90 -0.44 1.61 0.08 0.11 -1.81 117.98 116.51 1nir s PHE 294 Ca 0.12 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 56.50 1nir s PHE 294 Cb 0.03 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1nir s PHE 294 CO -0.04 -0.15 0.36 0.42 -0.10 0.00 0.00 175.22 175.71 1nir s ILE 295 N 0.39 5.21 -0.07 0.64 1.01 0.46 -0.68 121.20 128.17 1nir s ILE 295 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1nir s ILE 295 Cb -0.15 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1nir s ILE 295 CO 0.04 -0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 173.79 1nir s VAL 296 N 1.76 3.77 -0.19 2.92 1.01 -0.14 -1.04 120.40 128.49 1nir s VAL 296 Ca 0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1nir s VAL 296 Cb -0.21 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1nir s VAL 296 CO 0.09 0.59 0.09 0.20 0.00 0.00 0.00 175.10 176.08 1nir s ASN 297 N -0.75 5.90 -0.43 3.32 0.01 -0.61 -0.75 114.94 121.63 1nir s ASN 297 Ca 0.11 0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 1nir s ASN 297 Cb -0.11 -2.02 0.12 0.00 0.41 0.00 0.00 41.25 39.65 1nir s ASN 297 CO 0.02 0.18 0.17 -0.69 -1.51 0.00 0.00 177.10 175.27 1nir s VAL 298 N 0.33 2.73 0.00 1.60 1.01 0.76 -0.54 120.40 126.28 1nir s VAL 298 Ca 0.05 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.47 1nir s VAL 298 Cb -0.12 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1nir s VAL 298 CO -0.01 -0.69 0.00 1.17 0.00 0.00 0.00 175.10 175.57 1nir n LYS 299 N 3.99 0.00 -0.20 2.72 4.81 -0.50 -0.50 118.16 128.48 1nir n LYS 299 Ca 0.03 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.65 1nir n LYS 299 Cb 0.39 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.78 1nir n LYS 299 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1nir n GLU 300 N 0.00 -0.04 0.00 1.64 4.71 -1.26 0.25 120.64 125.93 1nir n GLU 300 Ca 0.00 0.87 0.12 0.00 -0.01 0.00 0.00 57.16 58.14 1nir n GLU 300 Cb 0.00 -1.53 0.32 0.00 -1.01 0.00 0.00 31.44 29.22 1nir n GLU 300 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1nir n THR 301 N -4.47 0.00 -3.71 2.62 -2.24 -1.22 -4.51 114.28 100.75 1nir n THR 301 Ca 0.22 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.65 1nir n THR 301 Cb 0.75 0.27 0.04 0.00 -2.10 0.00 0.00 70.33 69.28 1nir n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nir n GLY 302 N 1.44 -0.89 3.16 3.38 0.00 0.68 -1.90 105.19 111.05 1nir n GLY 302 Ca 0.08 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 1nir n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir s LYS 303 N -6.04 1.27 -0.27 1.61 -0.14 -0.76 -1.82 119.74 113.59 1nir s LYS 303 Ca 0.41 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1nir s LYS 303 Cb -0.15 -1.26 0.05 0.00 -1.68 0.00 0.00 37.83 34.79 1nir s LYS 303 CO 0.86 0.34 -0.06 0.08 -0.76 0.00 0.00 175.35 175.81 1nir s VAL 304 N -0.50 2.63 -0.11 3.17 1.01 0.22 -0.17 120.40 126.65 1nir s VAL 304 Ca 0.06 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1nir s VAL 304 Cb -0.07 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1nir s VAL 304 CO -0.00 0.02 0.23 -0.76 0.00 0.00 0.00 175.10 174.59 1nir s LEU 305 N 1.22 4.35 -0.93 3.92 1.43 0.07 -1.27 118.68 127.48 1nir s LEU 305 Ca -0.05 0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1nir s LEU 305 Cb -0.19 -2.25 0.23 0.00 0.03 0.00 0.00 46.19 44.02 1nir s LEU 305 CO -0.04 0.29 0.85 -0.76 0.23 0.00 0.00 176.35 176.92 1nir s LEU 306 N -0.52 5.91 -0.61 1.79 1.43 -0.09 -0.97 118.68 125.62 1nir s LEU 306 Ca 0.16 -3.48 -0.28 0.00 -1.03 0.00 0.00 54.13 49.51 1nir s LEU 306 Cb -0.13 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1nir s LEU 306 CO 0.05 -0.28 1.19 -0.69 0.23 0.00 0.00 176.35 176.85 1nir s VAL 307 N -1.02 3.99 -0.06 -1.59 1.01 0.15 -2.85 120.40 120.03 1nir s VAL 307 Ca 0.26 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1nir s VAL 307 Cb -0.10 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 1nir s VAL 307 CO -0.10 -1.42 0.98 0.21 0.00 0.00 0.00 175.10 174.76 1nir s ASN 308 N 3.10 7.28 -0.17 3.32 3.84 -0.70 0.07 114.94 131.68 1nir s ASN 308 Ca 0.41 1.57 0.17 0.00 0.21 0.00 0.00 52.86 55.21 1nir s ASN 308 Cb -0.08 -2.55 0.49 0.00 -0.55 0.00 0.00 41.25 38.56 1nir s ASN 308 CO 0.23 -0.34 1.38 0.00 -2.79 0.00 0.00 177.10 175.58 1nir n TYR 309 N 4.44 0.80 -0.20 0.43 0.18 -0.87 -4.09 117.16 117.85 1nir n TYR 309 Ca 0.07 -0.89 -0.00 0.00 1.88 0.00 0.00 57.90 58.96 1nir n TYR 309 Cb 0.50 -0.29 0.23 0.00 -0.38 0.00 0.00 39.34 39.41 1nir n TYR 309 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1nir h LYS 310 N 1.55 0.95 -2.82 -3.48 3.64 -1.94 -3.32 116.57 111.16 1nir h LYS 310 Ca 0.00 -0.09 -0.60 0.00 -1.27 0.00 0.00 60.65 58.70 1nir h LYS 310 Cb 1.37 -0.20 -0.40 0.00 -0.41 0.00 0.00 32.23 32.59 1nir h LYS 310 CO 0.19 0.67 -0.78 0.34 -2.27 0.00 0.00 179.45 177.60 1nir s ASP 311 N -6.41 3.36 0.20 4.20 2.15 -1.26 -5.00 116.67 113.91 1nir s ASP 311 Ca -0.11 -2.42 0.21 0.00 0.43 0.00 0.00 52.55 50.66 1nir s ASP 311 Cb 0.17 -0.76 0.89 0.00 -0.30 0.00 0.00 42.92 42.92 1nir s ASP 311 CO 0.79 -0.29 1.63 0.00 -0.17 0.00 0.00 175.17 177.13 1nir n ILE 312 N 3.78 0.92 0.08 4.11 3.06 -1.25 -2.76 119.36 127.30 1nir n ILE 312 Ca 0.10 0.29 -0.22 0.00 -2.50 0.00 0.00 62.75 60.42 1nir n ILE 312 Cb 0.36 -1.19 -0.14 0.00 0.54 0.00 0.00 39.64 39.20 1nir n ILE 312 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1nir h ASP 313 N 0.00 0.68 -4.04 9.51 3.32 -1.94 -3.39 116.42 120.56 1nir h ASP 313 Ca 0.00 -0.89 -0.64 0.00 0.02 0.00 0.00 57.03 55.53 1nir h ASP 313 Cb 0.29 -0.22 -0.41 0.00 0.22 0.00 0.00 39.33 39.21 1nir h ASP 313 CO 0.00 1.51 -0.61 0.20 -1.72 0.00 0.00 179.24 178.62 1nir s ASN 314 N -7.21 4.47 0.14 6.45 0.01 -1.11 -5.09 114.94 112.59 1nir s ASN 314 Ca -0.11 -3.24 -0.31 0.00 -0.71 0.00 0.00 52.86 48.49 1nir s ASN 314 Cb 0.03 -1.64 -0.08 0.00 0.41 0.00 0.00 41.25 39.96 1nir s ASN 314 CO 0.89 -0.19 1.40 -0.22 -1.51 0.00 0.00 177.10 177.47 1nir s LEU 315 N -0.61 4.38 -0.17 0.60 2.96 -1.22 -4.74 118.68 119.89 1nir s LEU 315 Ca 0.19 2.38 -0.02 0.00 -0.22 0.00 0.00 54.13 56.47 1nir s LEU 315 Cb -0.20 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 1nir s LEU 315 CO -0.04 -0.66 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.34 1nir s THR 316 N 0.95 3.21 -0.04 3.68 2.01 -1.26 -5.05 115.64 119.14 1nir s THR 316 Ca 0.64 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1nir s THR 316 Cb -0.38 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1nir s THR 316 CO 0.32 0.49 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.92 1nir s VAL 317 N 0.77 1.07 -0.25 3.82 1.01 -1.26 -1.73 120.40 123.83 1nir s VAL 317 Ca -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1nir s VAL 317 Cb -0.15 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1nir s VAL 317 CO 0.01 0.33 0.04 -0.89 0.00 0.00 0.00 175.10 174.59 1nir s THR 318 N 0.26 3.98 -0.32 3.92 2.01 -1.13 -4.95 115.64 119.42 1nir s THR 318 Ca -0.06 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1nir s THR 318 Cb -0.11 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1nir s THR 318 CO 0.02 0.33 0.25 -0.55 -0.69 0.00 0.00 174.62 173.97 1nir s SER 319 N 1.56 6.08 -0.21 3.53 0.15 -1.26 -0.91 113.70 122.63 1nir s SER 319 Ca 0.06 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 1nir s SER 319 Cb -0.15 -2.14 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1nir s SER 319 CO 0.01 -0.19 -0.07 -0.63 1.20 0.00 0.00 173.24 173.57 1nir s ILE 320 N 1.80 3.15 0.11 6.45 1.01 -0.40 -4.98 121.20 128.34 1nir s ILE 320 Ca 0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1nir s ILE 320 Cb -0.17 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 1nir s ILE 320 CO 0.11 0.45 1.09 -0.83 0.00 0.00 0.00 174.94 175.76 1nir s GLY 321 N 1.39 2.75 0.00 6.18 0.00 -1.26 -0.61 107.32 115.77 1nir s GLY 321 Ca 0.05 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1nir s GLY 321 CO -0.04 1.75 0.00 0.00 0.00 0.00 0.00 173.10 174.81 1nir n ALA 322 N 3.14 0.33 -3.47 3.20 0.00 -0.76 -4.87 120.51 118.07 1nir n ALA 322 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 1nir n ALA 322 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1nir n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nir s ALA 323 N -2.00 -1.50 0.59 0.00 0.00 -1.23 -5.01 121.76 112.60 1nir s ALA 323 Ca 0.00 1.33 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 1nir s ALA 323 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1nir s ALA 323 CO 0.00 -0.32 1.21 -2.30 0.00 0.00 0.00 175.76 174.36 1nir n PRO 324 N 1.76 1.27 -2.72 0.00 -0.02 -1.26 -3.94 135.00 130.09 1nir n PRO 324 Ca -0.17 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1nir n PRO 324 Cb 0.56 -2.43 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1nir n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1nir n PHE 325 N -1.49 -1.08 -1.99 6.00 3.72 -1.06 -4.26 117.46 117.30 1nir n PHE 325 Ca 0.13 0.45 -0.39 0.00 -0.05 0.00 0.00 57.45 57.60 1nir n PHE 325 Cb 0.46 -3.41 0.01 0.00 -0.94 0.00 0.00 39.48 35.60 1nir n PHE 325 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nir s LEU 326 N -4.07 4.04 0.00 4.37 1.43 -1.23 -2.75 118.68 120.47 1nir s LEU 326 Ca 0.03 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1nir s LEU 326 Cb -0.01 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1nir s LEU 326 CO 0.35 -1.13 0.00 1.57 0.23 0.00 0.00 176.35 177.36 1nir n HIS 327 N -0.43 0.00 -3.05 0.29 -0.00 0.45 -4.08 115.22 108.41 1nir n HIS 327 Ca 0.07 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.08 1nir n HIS 327 Cb 0.45 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.33 1nir n HIS 327 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1nir s ASP 328 N 1.00 5.65 0.00 0.26 -4.77 -1.26 -1.99 116.67 115.56 1nir s ASP 328 Ca 0.00 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.83 1nir s ASP 328 Cb 0.00 -0.68 0.00 0.00 -1.09 0.00 0.00 42.92 41.15 1nir s ASP 328 CO 0.00 -0.74 0.00 0.61 0.70 0.00 0.00 175.17 175.74 1nir n GLY 329 N -1.83 0.00 3.79 2.12 0.00 -0.41 -0.95 105.19 107.92 1nir n GLY 329 Ca 0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 1nir n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nir s GLY 330 N 0.00 -0.13 0.75 -0.02 0.00 -0.47 -4.32 107.32 103.13 1nir s GLY 330 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 1nir s GLY 330 CO 0.00 -0.08 1.10 -0.98 0.00 0.00 0.00 173.10 173.14 1nir s TRP 331 N -3.90 2.53 0.37 1.90 0.23 -1.26 -0.90 118.94 117.91 1nir s TRP 331 Ca 0.10 1.57 -0.05 0.00 -2.03 0.00 0.00 56.10 55.69 1nir s TRP 331 Cb -0.05 -3.10 0.08 0.00 0.03 0.00 0.00 33.47 30.43 1nir s TRP 331 CO 0.05 -1.84 0.51 -0.40 0.96 0.00 0.00 176.95 176.22 1nir n ASP 332 N -3.26 0.15 0.08 2.95 5.75 -0.72 -4.84 116.55 116.65 1nir n ASP 332 Ca 0.10 -1.25 0.02 0.00 -0.01 0.00 0.00 54.79 53.65 1nir n ASP 332 Cb 0.53 -0.38 0.39 0.00 -1.03 0.00 0.00 41.12 40.63 1nir n ASP 332 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1nir h SER 333 N -0.60 0.31 0.82 -1.12 4.64 -1.89 -2.70 113.55 113.01 1nir h SER 333 Ca -0.16 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1nir h SER 333 Cb 0.48 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1nir h SER 333 CO 0.13 0.39 -0.25 -1.54 -0.87 0.00 0.00 176.83 174.68 1nir n SER 334 N -4.33 0.31 -1.86 4.97 3.41 -1.26 -4.95 113.62 109.91 1nir n SER 334 Ca 0.00 0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 1nir n SER 334 Cb 0.21 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1nir n SER 334 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nir n HIS 335 N -1.60 -1.06 -0.05 7.33 8.25 -1.02 -4.91 115.22 122.16 1nir n HIS 335 Ca 0.06 0.23 -0.07 0.00 -0.26 0.00 0.00 57.72 57.68 1nir n HIS 335 Cb 0.35 -3.15 -0.05 0.00 1.12 0.00 0.00 29.99 28.26 1nir n HIS 335 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nir n ARG 336 N -2.67 0.51 -4.00 -0.41 0.00 -1.26 -4.68 116.66 104.15 1nir n ARG 336 Ca -0.10 0.05 -0.35 0.00 -0.00 0.00 0.00 57.85 57.45 1nir n ARG 336 Cb 0.59 -1.20 -0.11 0.00 0.00 0.00 0.00 32.46 31.74 1nir n ARG 336 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1nir s TYR 337 N -2.20 3.14 -0.38 -0.14 2.02 -1.26 -1.90 117.35 116.63 1nir s TYR 337 Ca -0.13 -0.19 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 1nir s TYR 337 Cb 0.03 -2.11 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1nir s TYR 337 CO 0.24 -0.08 0.67 0.12 -1.57 0.00 0.00 175.55 174.94 1nir s PHE 338 N 0.84 3.12 -0.51 2.71 5.36 -0.19 -1.76 117.98 127.54 1nir s PHE 338 Ca 0.03 0.31 -0.17 0.00 -0.96 0.00 0.00 56.93 56.14 1nir s PHE 338 Cb -0.14 -3.25 0.08 0.00 -0.34 0.00 0.00 43.02 39.37 1nir s PHE 338 CO 0.02 -0.71 0.54 -1.64 -1.46 0.00 0.00 175.22 171.97 1nir s MET 339 N 2.84 3.04 0.09 10.12 -1.94 -0.08 -1.54 119.30 131.82 1nir s MET 339 Ca 0.26 -1.26 0.09 0.00 -1.71 0.00 0.00 55.69 53.06 1nir s MET 339 Cb -0.14 -4.17 -0.03 0.00 2.01 0.00 0.00 34.83 32.49 1nir s MET 339 CO 0.16 -1.23 -0.23 -0.08 -0.01 0.00 0.00 175.02 173.63 1nir s THR 340 N 2.12 1.92 -0.15 2.05 -1.32 -0.67 -1.37 115.64 118.22 1nir s THR 340 Ca 0.09 -1.50 -0.08 0.00 -1.21 0.00 0.00 61.69 58.99 1nir s THR 340 Cb -0.24 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 1nir s THR 340 CO 0.08 0.11 0.11 0.00 -2.21 0.00 0.00 174.62 172.71 1nir s ALA 341 N -1.00 3.71 -0.90 11.08 0.00 -0.12 0.23 121.76 134.75 1nir s ALA 341 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1nir s ALA 341 Cb -0.10 -1.98 0.30 0.00 0.00 0.00 0.00 23.12 21.34 1nir s ALA 341 CO 0.04 0.42 1.30 0.00 0.00 0.00 0.00 175.76 177.51 1nir n ALA 342 N 2.67 5.00 -0.15 0.00 0.00 0.11 -0.41 120.51 127.73 1nir n ALA 342 Ca -0.18 -4.76 -0.04 0.00 0.00 0.00 0.00 53.44 48.46 1nir n ALA 342 Cb 0.54 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1nir n ALA 342 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1nir n ASN 343 N 0.79 -0.38 0.00 0.00 0.23 -1.11 -0.14 115.26 114.65 1nir n ASN 343 Ca 0.31 1.01 0.05 0.00 -0.53 0.00 0.00 54.58 55.43 1nir n ASN 343 Cb 0.35 -0.27 0.27 0.00 -2.08 0.00 0.00 39.78 38.05 1nir n ASN 343 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nir n ASN 344 N -3.80 0.00 -0.05 0.53 5.03 -1.26 -1.01 115.26 114.70 1nir n ASN 344 Ca 0.01 0.08 0.08 0.00 0.87 0.00 0.00 54.58 55.62 1nir n ASN 344 Cb 0.09 -0.25 -0.09 0.00 -1.02 0.00 0.00 39.78 38.52 1nir n ASN 344 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nir n SER 345 N -1.25 0.93 -3.48 6.41 7.64 0.80 -4.99 113.62 119.68 1nir n SER 345 Ca 0.05 -0.96 -0.22 0.00 1.01 0.00 0.00 58.87 58.75 1nir n SER 345 Cb 0.08 0.93 0.08 0.00 -1.01 0.00 0.00 64.21 64.29 1nir n SER 345 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nir n ASN 346 N -1.24 -5.52 -4.10 6.43 3.02 -0.18 -4.99 115.26 108.68 1nir n ASN 346 Ca 0.04 -0.54 -0.08 0.00 -0.03 0.00 0.00 54.58 53.97 1nir n ASN 346 Cb 0.28 -4.91 -0.10 0.00 -0.61 0.00 0.00 39.78 34.44 1nir n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nir s LYS 347 N -6.11 0.65 -0.16 3.52 1.02 -1.21 -1.98 119.74 115.47 1nir s LYS 347 Ca 0.47 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1nir s LYS 347 Cb -0.21 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.25 1nir s LYS 347 CO 0.71 -0.09 -0.18 0.08 -0.92 0.00 0.00 175.35 174.94 1nir s VAL 348 N -3.83 1.86 0.09 3.17 1.01 -0.12 -0.72 120.40 121.86 1nir s VAL 348 Ca 0.08 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1nir s VAL 348 Cb 0.07 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 1nir s VAL 348 CO -0.09 0.51 0.49 0.00 0.00 0.00 0.00 175.10 176.01 1nir s ALA 349 N 1.24 3.63 -0.27 5.51 0.00 0.14 -1.37 121.76 130.64 1nir s ALA 349 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1nir s ALA 349 Cb -0.14 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.57 1nir s ALA 349 CO -0.09 0.47 -0.05 0.08 0.00 0.00 0.00 175.76 176.18 1nir s VAL 350 N -1.32 2.77 -0.27 0.00 1.01 -0.53 -1.67 120.40 120.40 1nir s VAL 350 Ca 0.33 -1.31 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1nir s VAL 350 Cb -0.16 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1nir s VAL 350 CO 0.18 0.02 0.08 -0.63 0.00 0.00 0.00 175.10 174.74 1nir s ILE 351 N 1.25 4.14 -0.59 2.22 1.09 -0.59 0.39 121.20 129.11 1nir s ILE 351 Ca -0.04 -0.45 -0.28 0.00 -1.10 0.00 0.00 60.65 58.78 1nir s ILE 351 Cb -0.19 -3.04 0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1nir s ILE 351 CO -0.03 0.20 1.20 -0.62 -0.10 0.00 0.00 174.94 175.59 1nir s ASP 352 N 1.56 6.43 0.44 3.58 -1.08 0.25 -1.03 116.67 126.82 1nir s ASP 352 Ca 0.05 0.10 0.24 0.00 -0.52 0.00 0.00 52.55 52.41 1nir s ASP 352 Cb -0.16 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.54 1nir s ASP 352 CO 0.03 -1.50 1.77 0.77 0.52 0.00 0.00 175.17 176.75 1nir h SER 353 N 9.61 0.00 0.18 -0.34 4.64 -1.66 0.21 113.55 126.19 1nir h SER 353 Ca -0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1nir h SER 353 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1nir h SER 353 CO 1.19 0.20 -0.08 0.50 -0.87 0.00 0.00 176.83 177.76 1nir h LYS 354 N 0.00 -0.23 0.00 4.77 3.64 -1.90 -3.33 116.57 119.52 1nir h LYS 354 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nir h LYS 354 Cb 0.83 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1nir h LYS 354 CO 0.03 -0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 176.88 1nir n ASP 355 N -4.93 0.53 -3.31 4.20 8.00 -1.25 -4.96 116.55 114.83 1nir n ASP 355 Ca -0.04 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 55.86 1nir n ASP 355 Cb 0.13 -0.69 0.04 0.00 -0.02 0.00 0.00 41.12 40.58 1nir n ASP 355 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nir n ARG 356 N -2.00 -1.77 -3.73 -1.24 1.74 0.70 -5.04 116.66 105.33 1nir n ARG 356 Ca 0.06 0.94 -0.09 0.00 -0.77 0.00 0.00 57.85 57.99 1nir n ARG 356 Cb 0.39 -5.32 -0.03 0.00 -1.02 0.00 0.00 32.46 26.49 1nir n ARG 356 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1nir s ARG 357 N -4.38 1.54 -0.38 5.56 1.70 -0.94 -5.00 118.95 117.05 1nir s ARG 357 Ca 0.33 -0.85 -0.28 0.00 -0.47 0.00 0.00 55.73 54.46 1nir s ARG 357 Cb -0.06 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.91 1nir s ARG 357 CO 0.77 -0.68 1.03 -1.17 -1.08 0.00 0.00 175.30 174.17 1nir s LEU 358 N -2.87 3.89 0.24 -1.89 2.96 -1.26 -0.58 118.68 119.16 1nir s LEU 358 Ca 0.09 0.71 0.12 0.00 -0.22 0.00 0.00 54.13 54.83 1nir s LEU 358 Cb -0.03 -3.43 0.11 0.00 0.50 0.00 0.00 46.19 43.34 1nir s LEU 358 CO -0.00 -0.96 1.46 0.28 -1.32 0.00 0.00 176.35 175.80 1nir h SER 359 N 8.52 0.00 0.00 3.68 0.02 -0.43 -3.48 113.55 121.87 1nir h SER 359 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1nir h SER 359 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1nir h SER 359 CO 1.04 0.68 0.00 0.00 -1.14 0.00 0.00 176.83 177.41 1nir n ALA 360 N -2.31 0.00 -4.02 3.77 0.00 -1.22 -5.00 120.51 111.72 1nir n ALA 360 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1nir n ALA 360 Cb 0.75 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.05 1nir n ALA 360 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nir s LEU 361 N 0.00 2.89 -0.20 0.00 1.43 -1.26 -1.45 118.68 120.09 1nir s LEU 361 Ca 0.00 -1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.84 1nir s LEU 361 Cb 0.00 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1nir s LEU 361 CO 0.00 -0.18 0.07 -0.69 0.23 0.00 0.00 176.35 175.78 1nir s VAL 362 N 1.25 4.73 -0.07 -1.59 1.01 -0.47 -4.94 120.40 120.33 1nir s VAL 362 Ca -0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1nir s VAL 362 Cb -0.18 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1nir s VAL 362 CO -0.07 0.43 1.10 -1.81 0.00 0.00 0.00 175.10 174.76 1nir s ASP 363 N 0.60 7.15 0.00 3.32 1.01 -1.26 -0.94 116.67 126.55 1nir s ASP 363 Ca 0.03 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.99 1nir s ASP 363 Cb -0.13 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1nir s ASP 363 CO 0.01 -0.50 0.00 1.33 0.21 0.00 0.00 175.17 176.22 1nir n VAL 364 N 4.51 0.00 -1.45 -1.27 0.24 -0.84 -4.79 118.33 114.73 1nir n VAL 364 Ca 0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.34 1nir n VAL 364 Cb 0.48 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.88 1nir n VAL 364 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nir n GLY 365 N 3.77 -0.75 3.62 7.63 0.00 -1.26 -4.89 105.19 113.30 1nir n GLY 365 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1nir n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir s LYS 366 N -3.44 3.84 -0.62 1.61 1.02 -1.26 -4.16 119.74 116.72 1nir s LYS 366 Ca 0.15 1.10 -0.09 0.00 0.02 0.00 0.00 55.97 57.15 1nir s LYS 366 Cb -0.00 -3.90 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 1nir s LYS 366 CO 0.10 -1.22 0.65 2.41 -0.92 0.00 0.00 175.35 176.38 1nir n THR 367 N 6.42 -9.00 -1.93 2.17 -1.04 -1.25 -0.42 114.28 109.22 1nir n THR 367 Ca 0.15 0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.95 1nir n THR 367 Cb 0.47 -6.22 -0.01 0.00 -1.82 0.00 0.00 70.33 62.76 1nir n THR 367 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1nir s PRO 368 N -3.07 4.21 -0.41 -2.82 0.04 -1.26 -1.64 135.00 130.05 1nir s PRO 368 Ca 0.12 2.43 0.08 0.00 0.04 0.00 0.00 61.00 63.67 1nir s PRO 368 Cb -0.03 -3.01 0.24 0.00 0.04 0.00 0.00 34.50 31.75 1nir s PRO 368 CO 0.79 -0.40 0.57 1.58 0.04 0.00 0.00 177.00 179.58 1nir n HIS 369 N 0.63 -0.87 0.19 0.56 -0.00 -0.87 -4.38 115.22 110.48 1nir n HIS 369 Ca 0.01 -3.26 0.03 0.00 0.46 0.00 0.00 57.72 54.96 1nir n HIS 369 Cb 0.40 -0.02 0.40 0.00 -0.12 0.00 0.00 29.99 30.65 1nir n HIS 369 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1nir h PRO 370 N 4.08 0.03 0.00 1.57 0.13 -1.79 -3.39 132.00 132.63 1nir h PRO 370 Ca 0.05 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1nir h PRO 370 Cb 0.91 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1nir h PRO 370 CO 0.43 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1nir n GLY 371 N -0.66 1.84 0.01 1.56 0.00 -1.26 -2.08 105.19 104.60 1nir n GLY 371 Ca -0.02 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1nir n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir n ARG 372 N 3.86 1.75 0.00 1.61 1.74 -1.26 -1.29 116.66 123.07 1nir n ARG 372 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1nir n ARG 372 Cb 0.00 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1nir n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nir n GLY 373 N 1.37 -3.17 2.72 -0.13 0.00 -0.88 -3.30 105.19 101.80 1nir n GLY 373 Ca 0.03 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 1nir n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir s ALA 374 N -1.00 0.64 -0.15 4.61 0.00 -1.00 -4.78 121.76 120.07 1nir s ALA 374 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1nir s ALA 374 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1nir s ALA 374 CO 0.00 -0.74 0.09 -0.80 0.00 0.00 0.00 175.76 174.31 1nir s ASN 375 N 2.01 5.91 0.09 0.00 0.01 -1.26 -0.27 114.94 121.43 1nir s ASN 375 Ca 0.03 0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 52.17 1nir s ASN 375 Cb -0.14 -1.94 0.08 0.00 0.41 0.00 0.00 41.25 39.67 1nir s ASN 375 CO -0.06 0.28 0.72 0.72 -1.51 0.00 0.00 177.10 177.25 1nir s PHE 376 N -0.29 -0.47 -0.35 2.20 -0.12 -1.04 -4.78 117.98 113.15 1nir s PHE 376 Ca 0.09 0.31 -0.18 0.00 -0.05 0.00 0.00 56.93 57.10 1nir s PHE 376 Cb -0.12 0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1nir s PHE 376 CO 0.01 -0.72 0.52 0.08 -0.05 0.00 0.00 175.22 175.06 1nir s VAL 377 N -3.40 5.01 0.25 -2.49 1.01 -1.26 -1.48 120.40 118.05 1nir s VAL 377 Ca 0.02 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1nir s VAL 377 Cb -0.01 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1nir s VAL 377 CO -0.11 -0.21 1.08 -2.28 0.00 0.00 0.00 175.10 173.59 1nir s HIS 378 N 2.41 3.64 0.58 5.22 2.46 -0.34 -4.91 115.29 124.34 1nir s HIS 378 Ca 0.19 1.71 0.28 0.00 0.47 0.00 0.00 55.06 57.71 1nir s HIS 378 Cb -0.15 -3.24 1.76 0.00 -0.13 0.00 0.00 32.58 30.81 1nir s HIS 378 CO 0.13 -0.42 2.24 -1.35 -2.47 0.00 0.00 174.74 172.87 1nir h PRO 379 N 4.11 0.00 0.00 2.88 0.10 -1.90 -2.48 132.00 134.71 1nir h PRO 379 Ca -0.46 0.00 -0.16 0.00 0.10 0.00 0.00 66.00 65.48 1nir h PRO 379 Cb 1.21 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.29 1nir h PRO 379 CO 0.68 0.00 -1.44 1.17 0.10 0.00 0.00 178.00 178.52 1nir n LYS 380 N -3.92 0.23 0.00 1.05 4.81 -1.26 -4.75 118.16 114.32 1nir n LYS 380 Ca -0.03 0.10 0.15 0.00 -0.87 0.00 0.00 58.31 57.65 1nir n LYS 380 Cb 0.09 -0.88 0.68 0.00 0.02 0.00 0.00 35.03 34.93 1nir n LYS 380 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nir n TYR 381 N -3.54 0.00 -4.05 5.64 4.01 -1.25 -5.05 117.16 112.91 1nir n TYR 381 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1nir n TYR 381 Cb 0.59 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1nir n TYR 381 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nir n GLY 382 N 1.24 -1.50 3.70 2.72 0.00 -0.93 -4.85 105.19 105.56 1nir n GLY 382 Ca 0.16 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1nir n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nir n PRO 383 N -0.02 2.56 -4.26 1.61 -0.02 -1.26 -1.20 135.00 132.41 1nir n PRO 383 Ca 0.00 0.92 -0.14 0.00 -2.02 0.00 0.00 63.50 62.26 1nir n PRO 383 Cb 0.00 -2.74 -0.10 0.00 -0.02 0.00 0.00 33.50 30.64 1nir n PRO 383 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nir s VAL 384 N 0.95 0.64 -0.10 -1.45 -7.23 -0.55 -1.82 120.40 110.85 1nir s VAL 384 Ca 0.75 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1nir s VAL 384 Cb -0.56 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1nir s VAL 384 CO 0.36 -0.36 -0.10 0.86 -0.31 0.00 0.00 175.10 175.55 1nir s TRP 385 N -3.68 1.56 0.27 2.82 -0.00 0.16 -2.49 118.94 117.58 1nir s TRP 385 Ca 0.27 -0.71 0.11 0.00 -0.00 0.00 0.00 56.10 55.77 1nir s TRP 385 Cb 0.06 -1.21 -0.05 0.00 -0.00 0.00 0.00 33.47 32.28 1nir s TRP 385 CO 0.06 -0.43 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.95 1nir s SER 386 N 1.23 4.12 -0.04 5.86 1.04 0.63 -1.52 113.70 125.03 1nir s SER 386 Ca -0.03 -0.82 -0.16 0.00 0.48 0.00 0.00 55.95 55.42 1nir s SER 386 Cb -0.14 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.40 1nir s SER 386 CO -0.03 0.02 0.35 0.28 0.98 0.00 0.00 173.24 174.84 1nir s THR 387 N -2.41 0.04 0.27 2.02 -1.32 -0.92 -2.38 115.64 110.94 1nir s THR 387 Ca 0.31 -0.35 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 1nir s THR 387 Cb -0.06 -0.63 0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1nir s THR 387 CO 0.18 -0.19 0.33 -1.54 -2.21 0.00 0.00 174.62 171.19 1nir n SER 388 N 1.56 1.20 -4.12 8.08 3.41 -1.26 -1.43 113.62 121.06 1nir n SER 388 Ca -0.20 -1.77 -0.11 0.00 -0.26 0.00 0.00 58.87 56.54 1nir n SER 388 Cb 0.56 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 1nir n SER 388 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nir s HIS 389 N -0.85 0.76 -0.11 7.33 3.76 -1.22 -2.04 115.29 122.92 1nir s HIS 389 Ca 0.25 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.37 1nir s HIS 389 Cb -0.02 -0.46 -0.24 0.00 1.11 0.00 0.00 32.58 32.97 1nir s HIS 389 CO 0.16 -0.16 0.42 1.28 -0.85 0.00 0.00 174.74 175.59 1nir n LEU 390 N 0.44 1.92 0.21 0.89 4.77 -0.65 -1.72 117.00 122.86 1nir n LEU 390 Ca -0.16 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1nir n LEU 390 Cb 0.59 -0.58 0.29 0.00 -2.33 0.00 0.00 43.42 41.40 1nir n LEU 390 CO 0.27 0.68 0.74 1.23 -1.33 0.00 0.00 177.39 178.98 1nir h GLY 391 N 2.15 0.00 -0.52 -0.72 0.00 -0.84 -0.79 103.07 102.34 1nir h GLY 391 Ca -0.39 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1nir h GLY 391 CO 0.07 0.00 0.03 2.09 0.00 0.00 0.00 176.54 178.73 1nir n ASP 392 N -3.23 -0.77 -1.33 0.19 5.68 -1.23 -4.84 116.55 111.02 1nir n ASP 392 Ca 0.02 -1.74 0.12 0.00 -0.50 0.00 0.00 54.79 52.69 1nir n ASP 392 Cb 0.52 1.34 0.30 0.00 -1.14 0.00 0.00 41.12 42.15 1nir n ASP 392 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nir n GLY 393 N -0.23 2.32 3.85 6.12 0.00 -1.26 -3.80 105.19 112.19 1nir n GLY 393 Ca -0.02 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1nir n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nir s SER 394 N -1.11 5.75 -0.10 1.61 1.04 -1.26 -0.36 113.70 119.27 1nir s SER 394 Ca 0.47 1.43 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 1nir s SER 394 Cb 0.25 -2.37 0.04 0.00 0.10 0.00 0.00 66.02 64.04 1nir s SER 394 CO 0.33 -1.18 0.04 -0.63 0.98 0.00 0.00 173.24 172.78 1nir s ILE 395 N -3.16 0.19 -0.07 -1.02 1.01 -0.26 -3.42 121.20 114.47 1nir s ILE 395 Ca 0.57 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 61.09 1nir s ILE 395 Cb -0.12 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1nir s ILE 395 CO 0.54 0.08 0.50 -0.44 0.00 0.00 0.00 174.94 175.62 1nir s SER 396 N 2.04 6.78 -0.23 3.58 0.01 -0.51 -1.23 113.70 124.13 1nir s SER 396 Ca 0.04 0.92 -0.06 0.00 1.31 0.00 0.00 55.95 58.16 1nir s SER 396 Cb -0.13 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1nir s SER 396 CO -0.06 0.07 0.03 -0.76 0.41 0.00 0.00 173.24 172.93 1nir s LEU 397 N 0.17 3.27 -0.11 2.44 1.43 -0.74 -2.17 118.68 122.98 1nir s LEU 397 Ca 0.27 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1nir s LEU 397 Cb -0.16 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1nir s LEU 397 CO 0.12 -0.01 -0.22 -0.63 0.23 0.00 0.00 176.35 175.85 1nir s ILE 398 N 1.42 1.93 0.26 -0.59 1.01 -0.57 -0.73 121.20 123.94 1nir s ILE 398 Ca 0.05 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1nir s ILE 398 Cb -0.15 -1.69 -0.10 0.00 0.01 0.00 0.00 42.46 40.53 1nir s ILE 398 CO 0.02 0.53 1.47 -0.83 0.00 0.00 0.00 174.94 176.13 1nir s GLY 399 N 0.55 2.30 -0.09 6.18 0.00 -0.99 -0.67 107.32 114.60 1nir s GLY 399 Ca -0.14 1.39 0.14 0.00 0.00 0.00 0.00 44.72 46.11 1nir s GLY 399 CO 0.05 2.34 1.14 -1.30 0.00 0.00 0.00 173.10 175.33 1nir n THR 400 N 2.22 1.11 -3.84 0.90 -2.24 -0.75 -0.93 114.28 110.75 1nir n THR 400 Ca 0.07 -1.77 -0.28 0.00 -2.27 0.00 0.00 64.05 59.80 1nir n THR 400 Cb 0.40 0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.73 1nir n THR 400 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nir s ASP 401 N -2.37 4.34 0.42 3.42 2.15 -1.26 -4.94 116.67 118.43 1nir s ASP 401 Ca 0.28 -3.66 0.10 0.00 0.43 0.00 0.00 52.55 49.70 1nir s ASP 401 Cb 0.28 -1.47 0.91 0.00 -0.30 0.00 0.00 42.92 42.33 1nir s ASP 401 CO -0.06 -0.11 2.01 1.55 -0.17 0.00 0.00 175.17 178.39 1nir h PRO 402 N 5.55 0.29 0.51 4.34 0.14 -1.93 -1.12 132.00 139.79 1nir h PRO 402 Ca 0.14 -0.04 -0.02 0.00 0.14 0.00 0.00 66.00 66.21 1nir h PRO 402 Cb 0.79 -0.06 0.00 0.00 0.14 0.00 0.00 31.00 31.88 1nir h PRO 402 CO 0.67 0.30 -0.24 0.87 0.14 0.00 0.00 178.00 179.73 1nir h LYS 403 N 0.29 -0.66 0.00 0.86 1.57 -1.98 -3.28 116.57 113.38 1nir h LYS 403 Ca 0.07 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nir h LYS 403 Cb 0.15 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1nir h LYS 403 CO -0.00 -0.39 -1.10 0.09 -0.57 0.00 0.00 179.45 177.48 1nir n ASN 404 N -5.24 0.72 -3.18 0.86 3.02 -1.25 -4.57 115.26 105.63 1nir n ASN 404 Ca -0.09 -0.62 -0.21 0.00 -0.03 0.00 0.00 54.58 53.63 1nir n ASN 404 Cb 0.29 1.03 -0.05 0.00 -0.61 0.00 0.00 39.78 40.45 1nir n ASN 404 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nir n HIS 405 N -1.70 0.41 0.23 3.10 8.25 -0.43 -4.95 115.22 120.14 1nir n HIS 405 Ca 0.03 -3.76 0.06 0.00 -0.26 0.00 0.00 57.72 53.79 1nir n HIS 405 Cb 0.39 -0.41 0.54 0.00 1.12 0.00 0.00 29.99 31.63 1nir n HIS 405 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1nir h PRO 406 N 3.39 0.00 0.00 -0.41 0.13 -1.61 -2.10 132.00 131.40 1nir h PRO 406 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1nir h PRO 406 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1nir h PRO 406 CO 0.52 0.18 0.00 -0.56 -0.23 0.00 0.00 178.00 177.92 1nir h GLN 407 N 0.00 0.00 -0.00 0.86 -0.00 -1.90 -3.14 115.11 110.93 1nir h GLN 407 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1nir h GLN 407 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1nir h GLN 407 CO 0.02 0.00 -0.12 0.66 -0.00 0.00 0.00 178.83 179.39 1nir n TYR 408 N -2.58 0.00 -1.80 0.06 4.01 -0.86 -4.99 117.16 111.01 1nir n TYR 408 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1nir n TYR 408 Cb 0.32 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1nir n TYR 408 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nir s ALA 409 N -1.01 3.71 -1.38 -0.72 0.00 -0.85 -2.59 121.76 118.93 1nir s ALA 409 Ca 0.04 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 1nir s ALA 409 Cb 0.04 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1nir s ALA 409 CO 0.14 -1.23 0.53 0.91 0.00 0.00 0.00 175.76 176.11 1nir n TRP 410 N 5.92 -1.73 -4.63 0.00 5.03 -0.10 -4.95 117.44 116.97 1nir n TRP 410 Ca 0.17 0.46 -0.27 0.00 3.03 0.00 0.00 57.50 60.89 1nir n TRP 410 Cb 0.39 -4.10 -0.14 0.00 -1.03 0.00 0.00 31.31 26.44 1nir n TRP 410 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1nir s LYS 411 N -5.55 1.47 -1.13 -0.99 1.02 -1.07 -4.76 119.74 108.72 1nir s LYS 411 Ca 0.27 -1.07 -0.22 0.00 0.02 0.00 0.00 55.97 54.97 1nir s LYS 411 Cb -0.12 -1.67 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1nir s LYS 411 CO 0.33 0.42 1.73 0.21 -0.92 0.00 0.00 175.35 177.12 1nir s LYS 412 N -1.41 3.32 0.29 1.68 2.20 -1.26 -2.34 119.74 122.21 1nir s LYS 412 Ca 0.09 -1.28 -0.02 0.00 -0.36 0.00 0.00 55.97 54.40 1nir s LYS 412 Cb -0.09 -5.34 0.44 0.00 -1.51 0.00 0.00 37.83 31.32 1nir s LYS 412 CO 0.03 -2.80 1.95 -0.24 -0.36 0.00 0.00 175.35 173.93 1nir h VAL 413 N 6.34 1.19 -2.95 4.02 3.04 -1.24 -3.47 116.25 123.18 1nir h VAL 413 Ca 0.27 -0.39 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1nir h VAL 413 Cb 0.95 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 1nir h VAL 413 CO 1.36 0.21 0.31 0.00 -1.01 0.00 0.00 177.57 178.44 1nir s ALA 414 N -5.95 -0.83 -0.09 3.17 0.00 -1.17 -5.03 121.76 111.88 1nir s ALA 414 Ca -0.12 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 1nir s ALA 414 Cb 0.18 0.68 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1nir s ALA 414 CO 0.80 -0.99 0.23 -2.00 0.00 0.00 0.00 175.76 173.79 1nir s GLU 415 N -2.25 0.25 0.30 0.00 2.12 -1.26 -1.79 118.70 116.07 1nir s GLU 415 Ca 0.16 0.35 0.09 0.00 0.36 0.00 0.00 54.97 55.93 1nir s GLU 415 Cb -0.05 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1nir s GLU 415 CO 0.11 -0.05 0.03 -0.51 -0.54 0.00 0.00 175.26 174.30 1nir s LEU 416 N 0.29 3.15 -0.12 2.70 1.43 -0.36 -4.96 118.68 120.82 1nir s LEU 416 Ca -0.01 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1nir s LEU 416 Cb -0.03 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1nir s LEU 416 CO -0.01 -0.12 -0.12 -1.10 0.23 0.00 0.00 176.35 175.24 1nir s GLN 417 N -3.72 1.93 0.00 1.70 -1.52 -1.26 -1.11 119.66 115.68 1nir s GLN 417 Ca 0.34 -0.43 0.00 0.00 -1.95 0.00 0.00 55.36 53.32 1nir s GLN 417 Cb -0.04 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 1nir s GLN 417 CO 0.20 -0.19 0.00 0.41 -0.25 0.00 0.00 175.29 175.46 1nir n GLY 418 N 4.64 0.73 0.22 3.09 0.00 0.52 -4.78 105.19 109.60 1nir n GLY 418 Ca -0.16 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.05 1nir n GLY 418 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1nir h GLN 419 N 0.00 0.00 0.00 1.61 4.20 -1.95 -3.48 115.11 115.50 1nir h GLN 419 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1nir h GLN 419 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1nir h GLN 419 CO 0.00 0.27 0.00 0.41 -0.67 0.00 0.00 178.83 178.84 1nir n GLY 420 N -0.16 -0.56 3.47 3.46 0.00 -1.26 -5.01 105.19 105.13 1nir n GLY 420 Ca -0.01 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 1nir n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nir n GLY 421 N 0.00 -2.24 2.05 -0.02 0.00 -1.25 -3.98 105.19 99.74 1nir n GLY 421 Ca 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 1nir n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nir n GLY 422 N -3.95 0.49 3.77 -0.02 0.00 -0.30 -4.07 105.19 101.10 1nir n GLY 422 Ca 0.15 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1nir n GLY 422 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nir s SER 423 N -2.77 7.47 -0.02 1.61 0.15 -0.70 -1.57 113.70 117.87 1nir s SER 423 Ca 0.00 1.88 0.01 0.00 0.70 0.00 0.00 55.95 58.53 1nir s SER 423 Cb 0.00 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1nir s SER 423 CO 0.00 0.03 -0.01 0.18 1.20 0.00 0.00 173.24 174.64 1nir n LEU 424 N 0.97 1.98 -3.83 3.45 4.32 -1.26 -3.48 117.00 119.15 1nir n LEU 424 Ca 0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 56.01 55.86 1nir n LEU 424 Cb 0.49 -0.03 -0.12 0.00 -1.62 0.00 0.00 43.42 42.14 1nir n LEU 424 CO 0.47 0.36 -0.19 -0.36 -1.22 0.00 0.00 177.39 176.45 1nir s PHE 425 N -2.04 -0.14 0.05 -1.77 0.08 -1.26 -4.22 117.98 108.68 1nir s PHE 425 Ca -0.02 0.35 0.09 0.00 0.12 0.00 0.00 56.93 57.47 1nir s PHE 425 Cb 0.01 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.47 1nir s PHE 425 CO 0.05 -0.11 -0.25 -1.50 -0.10 0.00 0.00 175.22 173.31 1nir s ILE 426 N -0.10 2.27 -0.00 0.64 2.07 -1.26 -1.53 121.20 123.30 1nir s ILE 426 Ca -0.02 -1.36 -0.15 0.00 -1.41 0.00 0.00 60.65 57.71 1nir s ILE 426 Cb -0.02 -1.90 0.02 0.00 0.13 0.00 0.00 42.46 40.69 1nir s ILE 426 CO 0.00 0.35 0.32 -0.75 -1.91 0.00 0.00 174.94 172.95 1nir s LYS 427 N -1.31 0.71 0.38 3.50 2.47 0.56 -4.46 119.74 121.60 1nir s LYS 427 Ca 0.12 -0.26 -0.14 0.00 -1.56 0.00 0.00 55.97 54.14 1nir s LYS 427 Cb -0.10 0.32 0.05 0.00 -1.46 0.00 0.00 37.83 36.63 1nir s LYS 427 CO 0.03 -0.21 0.75 -0.08 0.16 0.00 0.00 175.35 176.00 1nir s THR 428 N -1.62 0.00 0.00 3.43 -1.32 -1.26 -0.94 115.64 113.93 1nir s THR 428 Ca -0.11 -1.08 -0.13 0.00 -1.21 0.00 0.00 61.69 59.15 1nir s THR 428 Cb -0.04 -2.88 0.02 0.00 -1.51 0.00 0.00 72.50 68.09 1nir s THR 428 CO 0.03 0.00 0.27 -2.28 -2.21 0.00 0.00 174.62 170.43 1nir s HIS 429 N -2.35 -0.12 0.41 9.09 2.46 -1.26 -4.67 115.29 118.86 1nir s HIS 429 Ca 0.18 0.12 0.15 0.00 0.47 0.00 0.00 55.06 55.98 1nir s HIS 429 Cb -0.04 0.06 1.03 0.00 -0.13 0.00 0.00 32.58 33.50 1nir s HIS 429 CO 0.13 -0.39 1.89 -1.35 -2.47 0.00 0.00 174.74 172.54 1nir h PRO 430 N 3.80 0.44 0.00 2.88 0.11 -1.93 -1.25 132.00 136.04 1nir h PRO 430 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1nir h PRO 430 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nir h PRO 430 CO 0.42 0.29 -0.42 1.63 -0.21 0.00 0.00 178.00 179.71 1nir n LYS 431 N -4.50 0.02 -3.55 1.05 4.76 -1.26 -4.93 118.16 109.75 1nir n LYS 431 Ca 0.17 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.34 1nir n LYS 431 Cb 0.59 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 1nir n LYS 431 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1nir s SER 432 N -3.10 6.40 -0.12 4.39 0.15 -0.47 -5.01 113.70 115.93 1nir s SER 432 Ca 0.11 0.51 0.17 0.00 0.70 0.00 0.00 55.95 57.44 1nir s SER 432 Cb 0.17 -2.06 0.30 0.00 -1.71 0.00 0.00 66.02 62.73 1nir s SER 432 CO 0.67 -0.11 1.18 -1.54 1.20 0.00 0.00 173.24 174.64 1nir n SER 433 N -0.84 2.58 -4.41 5.45 3.41 -1.26 -4.66 113.62 113.88 1nir n SER 433 Ca -0.04 -2.95 -0.26 0.00 -0.26 0.00 0.00 58.87 55.37 1nir n SER 433 Cb 0.54 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1nir n SER 433 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nir s HIS 434 N -2.64 2.22 -0.19 7.33 3.76 -1.26 -1.03 115.29 123.48 1nir s HIS 434 Ca 0.30 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1nir s HIS 434 Cb 0.26 -1.09 0.05 0.00 1.11 0.00 0.00 32.58 32.91 1nir s HIS 434 CO 0.04 0.49 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.23 1nir s LEU 435 N -2.73 1.68 -0.11 0.89 2.96 -0.87 -4.53 118.68 115.97 1nir s LEU 435 Ca 0.21 -0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1nir s LEU 435 Cb -0.07 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1nir s LEU 435 CO 0.10 -0.24 0.10 -0.31 -1.32 0.00 0.00 176.35 174.68 1nir s TYR 436 N 1.66 3.48 -0.03 5.38 1.51 -0.11 -0.45 117.35 128.80 1nir s TYR 436 Ca -0.02 0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1nir s TYR 436 Cb -0.17 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1nir s TYR 436 CO -0.07 0.66 0.03 0.14 -1.11 0.00 0.00 175.55 175.20 1nir s VAL 437 N -1.00 -0.03 0.70 0.71 -7.23 -0.51 -0.32 120.40 112.71 1nir s VAL 437 Ca 0.15 0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 60.50 1nir s VAL 437 Cb -0.12 -0.12 0.15 0.00 0.56 0.00 0.00 36.38 36.85 1nir s VAL 437 CO 0.04 0.12 0.96 -0.90 -0.31 0.00 0.00 175.10 175.01 1nir n ASP 438 N 4.41 0.70 -2.69 4.85 5.68 -0.58 -1.35 116.55 127.57 1nir n ASP 438 Ca -0.23 -1.73 -0.05 0.00 -0.50 0.00 0.00 54.79 52.28 1nir n ASP 438 Cb 0.50 -0.68 0.12 0.00 -1.14 0.00 0.00 41.12 39.92 1nir n ASP 438 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1nir n THR 439 N -3.01 0.07 -0.35 2.12 5.66 -1.26 -4.22 114.28 113.28 1nir n THR 439 Ca 0.14 -1.44 0.09 0.00 -3.05 0.00 0.00 64.05 59.79 1nir n THR 439 Cb 0.49 0.99 0.19 0.00 -1.55 0.00 0.00 70.33 70.46 1nir n THR 439 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1nir h THR 440 N 2.74 0.00 -0.60 1.09 2.02 -1.59 -1.76 112.91 114.80 1nir h THR 440 Ca -0.32 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1nir h THR 440 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1nir h THR 440 CO -0.08 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.30 1nir n PHE 441 N -5.59 1.58 -2.20 3.16 3.72 -0.61 -4.77 117.46 112.76 1nir n PHE 441 Ca 0.18 -0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 56.57 1nir n PHE 441 Cb 0.59 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1nir n PHE 441 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1nir s ASN 442 N -0.83 6.87 0.40 4.37 3.84 -0.66 -4.63 114.94 124.29 1nir s ASN 442 Ca 0.50 2.38 0.27 0.00 0.21 0.00 0.00 52.86 56.21 1nir s ASN 442 Cb 0.34 -2.60 1.45 0.00 -0.55 0.00 0.00 41.25 39.88 1nir s ASN 442 CO 0.21 -0.57 1.82 1.55 -2.79 0.00 0.00 177.10 177.32 1nir h PRO 443 N 5.86 0.00 -5.74 0.43 0.13 -1.90 -3.41 132.00 127.37 1nir h PRO 443 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 1nir h PRO 443 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1nir h PRO 443 CO 0.80 0.00 0.03 0.34 -0.23 0.00 0.00 178.00 178.94 1nir s ASP 444 N -4.28 6.73 0.13 1.44 2.15 -1.26 -4.98 116.67 116.59 1nir s ASP 444 Ca -0.03 0.88 -0.22 0.00 0.43 0.00 0.00 52.55 53.61 1nir s ASP 444 Cb 0.08 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 1nir s ASP 444 CO 0.25 -0.16 1.68 0.00 -0.17 0.00 0.00 175.17 176.77 1nir h ALA 445 N 7.13 -0.05 -0.72 3.66 0.00 -1.96 -1.39 119.26 125.93 1nir h ALA 445 Ca -0.36 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1nir h ALA 445 Cb 1.16 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1nir h ALA 445 CO 0.76 -0.58 0.47 -0.09 0.00 0.00 0.00 179.25 179.81 1nir h ARG 446 N -0.16 0.93 -0.41 0.00 2.43 -1.95 -0.06 114.38 115.17 1nir h ARG 446 Ca 0.09 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1nir h ARG 446 Cb 0.28 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1nir h ARG 446 CO -0.21 0.61 -0.08 0.82 -1.51 0.00 0.00 179.97 179.60 1nir h ILE 447 N 0.96 1.27 0.00 1.20 2.04 -1.88 -2.87 117.51 118.23 1nir h ILE 447 Ca 0.27 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1nir h ILE 447 Cb -0.09 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1nir h ILE 447 CO -0.06 0.39 -0.04 0.77 0.00 0.00 0.00 178.15 179.21 1nir h SER 448 N 0.59 0.00 -0.56 1.72 4.64 -0.96 -2.69 113.55 116.28 1nir h SER 448 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1nir h SER 448 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1nir h SER 448 CO 0.04 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1nir n GLN 449 N -3.15 2.49 -4.14 4.77 6.02 -0.06 -1.77 117.38 121.55 1nir n GLN 449 Ca 0.01 -2.08 -0.11 0.00 -0.01 0.00 0.00 57.00 54.80 1nir n GLN 449 Cb 0.33 -1.51 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 1nir n GLN 449 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1nir s SER 450 N -0.96 0.10 0.18 1.08 1.04 -1.02 -1.80 113.70 112.33 1nir s SER 450 Ca 0.38 -1.24 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1nir s SER 450 Cb 0.21 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 1nir s SER 450 CO 0.24 -0.90 -0.12 0.68 0.98 0.00 0.00 173.24 174.12 1nir s VAL 451 N -4.11 1.49 -0.00 5.02 -7.23 -1.06 -4.28 120.40 110.23 1nir s VAL 451 Ca 0.33 -2.15 -0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1nir s VAL 451 Cb 0.05 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1nir s VAL 451 CO 0.10 -0.65 0.08 0.00 -0.31 0.00 0.00 175.10 174.32 1nir s ALA 452 N -3.13 3.59 -0.06 1.32 0.00 -0.46 -1.66 121.76 121.37 1nir s ALA 452 Ca 0.20 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1nir s ALA 452 Cb 0.01 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1nir s ALA 452 CO 0.04 0.69 -0.09 0.08 0.00 0.00 0.00 175.76 176.48 1nir s VAL 453 N -1.20 0.93 0.20 0.00 1.01 0.06 -1.42 120.40 119.97 1nir s VAL 453 Ca 0.23 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1nir s VAL 453 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1nir s VAL 453 CO 0.14 0.31 0.13 -0.36 0.00 0.00 0.00 175.10 175.33 1nir s PHE 454 N 0.86 3.07 -0.42 5.22 0.40 0.41 -0.73 117.98 126.78 1nir s PHE 454 Ca -0.11 -0.07 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 1nir s PHE 454 Cb -0.15 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 41.98 1nir s PHE 454 CO 0.01 0.53 0.31 0.34 0.70 0.00 0.00 175.22 177.11 1nir s ASP 455 N -3.36 6.00 0.09 1.36 -1.08 -1.26 -2.06 116.67 116.35 1nir s ASP 455 Ca 0.31 -1.11 0.13 0.00 -0.52 0.00 0.00 52.55 51.36 1nir s ASP 455 Cb -0.09 -2.12 0.59 0.00 -1.46 0.00 0.00 42.92 39.84 1nir s ASP 455 CO 0.23 -0.51 1.42 0.18 0.52 0.00 0.00 175.17 177.01 1nir n LEU 456 N 5.12 0.20 -0.83 -1.34 4.77 -0.20 -1.19 117.00 123.52 1nir n LEU 456 Ca -0.11 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 1nir n LEU 456 Cb 0.45 -0.55 0.28 0.00 -2.33 0.00 0.00 43.42 41.27 1nir n LEU 456 CO 0.42 -0.46 0.73 0.29 -1.33 0.00 0.00 177.39 177.04 1nir n LYS 457 N -1.73 2.12 -2.72 3.23 5.02 -1.26 -4.52 118.16 118.30 1nir n LYS 457 Ca 0.02 -1.66 -0.07 0.00 -2.02 0.00 0.00 58.31 54.58 1nir n LYS 457 Cb 0.12 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.74 1nir n LYS 457 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1nir n ASN 458 N 0.93 -2.23 0.30 4.39 5.15 -0.33 -5.02 115.26 118.45 1nir n ASN 458 Ca 0.17 -2.88 0.20 0.00 -0.60 0.00 0.00 54.58 51.47 1nir n ASN 458 Cb 0.49 1.52 1.08 0.00 -0.53 0.00 0.00 39.78 42.35 1nir n ASN 458 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1nir h LEU 459 N 3.40 0.00 -0.88 1.20 3.38 -1.68 -2.01 115.31 118.72 1nir h LEU 459 Ca -0.18 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1nir h LEU 459 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1nir h LEU 459 CO 0.13 0.00 -0.55 0.44 0.09 0.00 0.00 178.44 178.55 1nir h ASP 460 N 0.00 0.03 -3.99 -0.43 3.32 -1.95 -3.45 116.42 109.95 1nir h ASP 460 Ca 0.00 -0.01 -0.51 0.00 0.02 0.00 0.00 57.03 56.52 1nir h ASP 460 Cb 0.02 -0.01 0.07 0.00 0.22 0.00 0.00 39.33 39.63 1nir h ASP 460 CO 0.00 0.57 0.51 0.00 -1.72 0.00 0.00 179.24 178.60 1nir s ALA 461 N -3.78 3.01 0.63 3.45 0.00 -0.76 -5.00 121.76 119.31 1nir s ALA 461 Ca -0.02 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 1nir s ALA 461 Cb 0.13 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1nir s ALA 461 CO 0.76 -0.71 1.12 0.21 0.00 0.00 0.00 175.76 177.13 1nir s LYS 462 N -2.62 2.94 0.96 0.00 2.20 -1.26 -4.82 119.74 117.14 1nir s LYS 462 Ca 0.63 1.46 -0.11 0.00 -0.36 0.00 0.00 55.97 57.59 1nir s LYS 462 Cb -0.31 -1.96 0.17 0.00 -1.51 0.00 0.00 37.83 34.22 1nir s LYS 462 CO 0.37 -1.15 1.10 1.52 -0.36 0.00 0.00 175.35 176.83 1nir s TYR 463 N -2.17 1.81 0.09 4.03 -0.85 -1.26 -4.88 117.35 114.11 1nir s TYR 463 Ca 0.69 1.49 0.05 0.00 -0.52 0.00 0.00 57.07 58.78 1nir s TYR 463 Cb -0.22 -3.21 -0.04 0.00 0.38 0.00 0.00 41.96 38.88 1nir s TYR 463 CO 0.37 -2.88 -0.01 -0.65 -1.52 0.00 0.00 175.55 170.86 1nir s GLN 464 N -4.69 2.50 -0.23 -3.49 -0.21 0.09 -4.87 119.66 108.77 1nir s GLN 464 Ca 0.66 -0.85 -0.05 0.00 0.02 0.00 0.00 55.36 55.14 1nir s GLN 464 Cb -0.22 -2.51 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 1nir s GLN 464 CO 0.59 0.54 -0.02 0.08 -2.12 0.00 0.00 175.29 174.37 1nir s VAL 465 N -1.28 3.59 -0.41 1.09 1.01 -1.26 -0.76 120.40 122.37 1nir s VAL 465 Ca 0.25 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1nir s VAL 465 Cb -0.12 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1nir s VAL 465 CO 0.17 0.40 0.49 -0.76 0.00 0.00 0.00 175.10 175.40 1nir s LEU 466 N 1.51 4.68 -0.80 3.92 1.02 -0.66 -4.98 118.68 123.36 1nir s LEU 466 Ca 0.06 -0.48 -0.23 0.00 0.02 0.00 0.00 54.13 53.50 1nir s LEU 466 Cb -0.14 -2.49 -0.17 0.00 0.02 0.00 0.00 46.19 43.41 1nir s LEU 466 CO -0.02 -0.59 1.90 -0.81 0.02 0.00 0.00 176.35 176.85 1nir n PRO 467 N 5.75 1.34 0.22 1.29 -0.04 -1.26 -2.58 135.00 139.73 1nir n PRO 467 Ca -0.06 -1.92 -0.15 0.00 -0.04 0.00 0.00 63.50 61.34 1nir n PRO 467 Cb 0.48 -3.10 -0.07 0.00 -0.04 0.00 0.00 33.50 30.76 1nir n PRO 467 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1nir h ILE 468 N 5.00 0.45 -0.78 0.52 1.08 -1.92 -1.53 117.51 120.33 1nir h ILE 468 Ca 0.35 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 1nir h ILE 468 Cb 0.75 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 1nir h ILE 468 CO 1.76 0.00 0.44 0.00 -0.69 0.00 0.00 178.15 179.67 1nir h ALA 469 N -0.04 1.00 -0.83 1.87 0.00 -1.66 -2.51 119.26 117.09 1nir h ALA 469 Ca -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1nir h ALA 469 Cb 0.53 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1nir h ALA 469 CO 0.01 0.50 0.36 1.49 0.00 0.00 0.00 179.25 181.61 1nir h GLU 470 N 1.08 1.22 0.00 0.00 4.81 -1.76 -2.14 114.58 117.79 1nir h GLU 470 Ca 0.28 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1nir h GLU 470 Cb 0.01 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1nir h GLU 470 CO -0.05 0.96 -0.10 -1.49 -0.73 0.00 0.00 179.01 177.60 1nir h TRP 471 N 1.19 0.00 0.00 0.92 6.55 -0.85 -2.41 115.95 121.35 1nir h TRP 471 Ca 0.28 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.99 1nir h TRP 471 Cb 0.17 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.45 1nir h TRP 471 CO 0.02 0.10 -0.63 0.00 -1.05 0.00 0.00 178.44 176.88 1nir h ALA 472 N 1.90 0.81 -5.75 1.49 0.00 -1.04 -3.49 119.26 113.18 1nir h ALA 472 Ca -0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1nir h ALA 472 Cb 0.30 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nir h ALA 472 CO 0.01 0.79 -0.39 -3.47 0.00 0.00 0.00 179.25 176.19 1nir n ASP 473 N -3.58 -6.85 -0.00 0.00 2.03 -0.91 -4.97 116.55 102.27 1nir n ASP 473 Ca -0.00 -0.40 0.05 0.00 0.52 0.00 0.00 54.79 54.95 1nir n ASP 473 Cb 0.67 -4.34 -0.08 0.00 -0.72 0.00 0.00 41.12 36.65 1nir n ASP 473 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nir n LEU 474 N -2.29 0.12 0.00 -2.67 4.77 -1.26 -5.12 117.00 110.54 1nir n LEU 474 Ca -0.08 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1nir n LEU 474 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1nir n LEU 474 CO 0.57 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1nir n GLY 475 N 1.74 0.77 3.78 -0.72 0.00 -1.26 -4.75 105.19 104.75 1nir n GLY 475 Ca -0.01 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1nir n GLY 475 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nir s GLU 476 N 0.00 2.14 0.00 1.61 -1.05 -1.26 -4.98 118.70 115.16 1nir s GLU 476 Ca 0.00 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 55.66 1nir s GLU 476 Cb 0.00 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 1nir s GLU 476 CO 0.00 -1.63 0.00 0.41 0.95 0.00 0.00 175.26 174.99 1nir n GLY 477 N -1.73 3.16 0.33 -3.83 0.00 -1.26 -4.70 105.19 97.16 1nir n GLY 477 Ca 0.07 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.23 1nir n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir h ALA 478 N 0.00 1.74 -6.51 4.61 0.00 -1.94 -3.47 119.26 113.70 1nir h ALA 478 Ca 0.00 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 1nir h ALA 478 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1nir h ALA 478 CO 0.00 0.21 -0.90 1.63 0.00 0.00 0.00 179.25 180.19 1nir n LYS 479 N -4.47 -2.95 -2.23 0.00 5.02 -1.26 -4.83 118.16 107.44 1nir n LYS 479 Ca 0.06 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 1nir n LYS 479 Cb 0.13 -4.41 -0.03 0.00 -0.02 0.00 0.00 35.03 30.71 1nir n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nir s ARG 480 N -6.56 4.38 -0.10 1.97 0.52 -1.20 -4.48 118.95 113.48 1nir s ARG 480 Ca 0.05 2.03 -0.10 0.00 -0.52 0.00 0.00 55.73 57.19 1nir s ARG 480 Cb -0.02 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 1nir s ARG 480 CO 0.89 -0.28 0.24 0.08 0.02 0.00 0.00 175.30 176.25 1nir s VAL 481 N 0.36 5.34 -0.05 3.52 1.01 -0.73 -0.51 120.40 129.34 1nir s VAL 481 Ca 0.58 0.44 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 1nir s VAL 481 Cb -0.36 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1nir s VAL 481 CO 0.36 0.56 0.32 0.54 0.00 0.00 0.00 175.10 176.87 1nir s VAL 482 N -0.68 0.04 -0.15 2.92 0.11 -0.41 -3.68 120.40 118.56 1nir s VAL 482 Ca 0.17 -0.30 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1nir s VAL 482 Cb -0.13 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1nir s VAL 482 CO 0.06 -0.17 0.00 1.67 -3.33 0.00 0.00 175.10 173.34 1nir n GLN 483 N 1.86 -1.91 -1.92 1.54 7.27 -1.26 -2.41 117.38 120.55 1nir n GLN 483 Ca -0.18 1.80 -0.39 0.00 0.07 0.00 0.00 57.00 58.30 1nir n GLN 483 Cb 0.57 -3.17 0.02 0.00 2.41 0.00 0.00 30.24 30.06 1nir n GLN 483 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1nir s PRO 484 N -1.29 3.59 -0.17 3.69 0.05 -1.26 -4.56 135.00 135.06 1nir s PRO 484 Ca -0.00 2.21 -0.09 0.00 0.05 0.00 0.00 61.00 63.17 1nir s PRO 484 Cb 0.00 -2.52 0.06 0.00 0.05 0.00 0.00 34.50 32.09 1nir s PRO 484 CO 0.39 -0.82 0.40 -2.00 0.05 0.00 0.00 177.00 175.02 1nir s GLU 485 N -2.57 0.38 0.59 4.56 2.56 -0.21 -4.84 118.70 119.16 1nir s GLU 485 Ca 0.64 0.80 -0.07 0.00 0.00 0.00 0.00 54.97 56.33 1nir s GLU 485 Cb -0.39 -0.00 -0.00 0.00 2.00 0.00 0.00 34.13 35.73 1nir s GLU 485 CO 0.49 -0.17 0.92 0.71 -0.56 0.00 0.00 175.26 176.65 1nir s TYR 486 N 1.50 3.34 0.61 5.30 1.51 -1.26 -0.02 117.35 128.34 1nir s TYR 486 Ca -0.09 0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 56.74 1nir s TYR 486 Cb -0.09 -2.72 0.05 0.00 -0.11 0.00 0.00 41.96 39.10 1nir s TYR 486 CO -0.13 -0.78 0.87 0.54 -1.11 0.00 0.00 175.55 174.94 1nir s ASN 487 N -4.27 5.04 0.37 2.29 4.22 -1.04 -4.67 114.94 116.88 1nir s ASN 487 Ca 0.54 0.10 0.09 0.00 -2.14 0.00 0.00 52.86 51.44 1nir s ASN 487 Cb -0.11 -0.86 0.83 0.00 1.28 0.00 0.00 41.25 42.39 1nir s ASN 487 CO 0.47 -1.35 1.90 0.50 -2.04 0.00 0.00 177.10 176.57 1nir h LYS 488 N -0.19 0.65 -0.29 3.55 3.64 -1.91 -1.86 116.57 120.17 1nir h LYS 488 Ca -0.42 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 58.77 1nir h LYS 488 Cb 1.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1nir h LYS 488 CO 0.53 0.43 -0.43 -0.09 -2.27 0.00 0.00 179.45 177.63 1nir h ARG 489 N 0.67 0.72 0.00 1.90 2.43 -1.96 -3.48 114.38 114.67 1nir h ARG 489 Ca 0.40 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1nir h ARG 489 Cb 0.62 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1nir h ARG 489 CO -0.17 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.71 1nir n GLY 490 N 0.11 0.78 0.92 2.80 0.00 -0.70 -4.88 105.19 104.22 1nir n GLY 490 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1nir n GLY 490 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nir n ASP 491 N 0.00 2.91 -4.19 1.61 5.68 -1.26 -4.57 116.55 116.73 1nir n ASP 491 Ca 0.00 -1.96 -0.24 0.00 -0.50 0.00 0.00 54.79 52.09 1nir n ASP 491 Cb 0.00 0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 39.87 1nir n ASP 491 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1nir s GLU 492 N -2.03 1.35 -0.11 0.11 2.02 -1.26 -0.72 118.70 118.06 1nir s GLU 492 Ca 0.27 -0.74 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 1nir s GLU 492 Cb 0.20 -1.36 0.02 0.00 0.10 0.00 0.00 34.13 33.10 1nir s GLU 492 CO 0.32 0.36 -0.07 0.08 0.02 0.00 0.00 175.26 175.97 1nir s VAL 493 N -0.59 0.98 0.04 2.63 1.01 -0.54 -2.49 120.40 121.44 1nir s VAL 493 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1nir s VAL 493 Cb -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1nir s VAL 493 CO 0.00 0.36 0.24 0.26 0.00 0.00 0.00 175.10 175.96 1nir s TRP 494 N 1.72 3.54 0.01 5.22 0.52 0.97 -0.78 118.94 130.14 1nir s TRP 494 Ca 0.05 0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.58 1nir s TRP 494 Cb -0.13 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.31 1nir s TRP 494 CO -0.08 0.59 -0.03 -0.06 0.02 0.00 0.00 176.95 177.39 1nir s PHE 495 N -1.42 0.23 -0.16 -1.98 0.40 0.05 -1.05 117.98 114.05 1nir s PHE 495 Ca 0.32 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 56.31 1nir s PHE 495 Cb -0.13 -0.16 -0.05 0.00 0.51 0.00 0.00 43.02 43.20 1nir s PHE 495 CO 0.22 -0.08 0.13 -1.12 0.70 0.00 0.00 175.22 175.07 1nir s SER 496 N -0.71 6.25 -0.76 1.36 0.01 -1.01 -0.51 113.70 118.32 1nir s SER 496 Ca -0.06 0.33 -0.07 0.00 1.31 0.00 0.00 55.95 57.45 1nir s SER 496 Cb -0.05 -2.07 0.20 0.00 0.21 0.00 0.00 66.02 64.31 1nir s SER 496 CO -0.00 0.28 0.64 -0.69 0.41 0.00 0.00 173.24 173.88 1nir s VAL 497 N -0.26 4.59 -1.06 3.43 1.01 0.28 -1.28 120.40 127.11 1nir s VAL 497 Ca 0.11 -2.97 -0.22 0.00 0.00 0.00 0.00 61.98 58.90 1nir s VAL 497 Cb -0.11 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1nir s VAL 497 CO 0.01 -0.98 1.67 0.86 0.00 0.00 0.00 175.10 176.65 1nir s TRP 498 N -0.26 2.36 0.45 5.22 -0.00 0.34 -3.13 118.94 123.91 1nir s TRP 498 Ca 0.20 -0.53 0.06 0.00 -0.00 0.00 0.00 56.10 55.82 1nir s TRP 498 Cb -0.14 -4.49 0.02 0.00 -0.00 0.00 0.00 33.47 28.85 1nir s TRP 498 CO -0.07 -1.80 0.63 1.21 -0.00 0.00 0.00 176.95 176.92 1nir s ASN 499 N 5.67 5.57 0.78 5.86 3.84 -1.26 -3.27 114.94 132.14 1nir s ASN 499 Ca 0.55 -0.27 -0.14 0.00 0.21 0.00 0.00 52.86 53.21 1nir s ASN 499 Cb -0.01 -0.78 0.06 0.00 -0.55 0.00 0.00 41.25 39.97 1nir s ASN 499 CO -0.02 -0.85 1.11 0.61 -2.79 0.00 0.00 177.10 175.16 1nir n GLY 500 N -1.99 -0.19 0.28 1.21 0.00 -1.26 -4.23 105.19 99.01 1nir n GLY 500 Ca 0.07 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.81 1nir n GLY 500 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nir h LYS 501 N -0.69 0.00 -0.66 1.61 2.10 -1.98 -1.69 116.57 115.25 1nir h LYS 501 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1nir h LYS 501 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1nir h LYS 501 CO 0.46 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 178.07 1nir n ASN 502 N -3.41 4.27 -2.34 7.07 5.03 -1.26 -4.91 115.26 119.70 1nir n ASN 502 Ca -0.02 -2.22 -0.04 0.00 0.87 0.00 0.00 54.58 53.17 1nir n ASN 502 Cb 0.21 -0.52 -0.01 0.00 -1.02 0.00 0.00 39.78 38.45 1nir n ASN 502 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1nir n ASP 503 N 1.30 1.91 -4.46 6.41 8.00 -0.64 -5.14 116.55 123.93 1nir n ASP 503 Ca 0.24 -1.27 -0.34 0.00 0.71 0.00 0.00 54.79 54.14 1nir n ASP 503 Cb 0.74 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.74 1nir n ASP 503 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nir s SER 504 N -1.37 4.63 0.46 -2.24 0.01 -1.26 -4.85 113.70 109.08 1nir s SER 504 Ca 0.01 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1nir s SER 504 Cb -0.00 -1.75 0.02 0.00 0.21 0.00 0.00 66.02 64.50 1nir s SER 504 CO 0.01 0.15 0.19 -1.20 0.41 0.00 0.00 173.24 172.80 1nir n SER 505 N 3.63 2.84 -3.60 2.44 7.64 -1.26 -4.71 113.62 120.60 1nir n SER 505 Ca -0.18 -2.77 0.01 0.00 1.01 0.00 0.00 58.87 56.94 1nir n SER 505 Cb 0.52 0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.84 1nir n SER 505 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nir s ALA 506 N -2.72 -2.30 -0.21 -0.43 0.00 -1.19 -4.73 121.76 110.18 1nir s ALA 506 Ca 0.14 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1nir s ALA 506 Cb -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1nir s ALA 506 CO 0.09 -0.96 -0.08 -0.51 0.00 0.00 0.00 175.76 174.30 1nir s LEU 507 N -2.82 2.75 -0.16 0.00 1.43 -0.86 -0.55 118.68 118.46 1nir s LEU 507 Ca 0.14 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1nir s LEU 507 Cb 0.05 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1nir s LEU 507 CO -0.05 -0.01 0.11 -0.69 0.23 0.00 0.00 176.35 175.94 1nir s VAL 508 N 1.38 5.22 -0.14 -1.59 1.01 0.34 -1.15 120.40 125.48 1nir s VAL 508 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1nir s VAL 508 Cb -0.14 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1nir s VAL 508 CO -0.05 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 1nir s VAL 509 N -0.15 2.88 -0.04 2.92 1.01 -0.24 -0.77 120.40 126.00 1nir s VAL 509 Ca 0.09 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1nir s VAL 509 Cb -0.12 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1nir s VAL 509 CO 0.01 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 1nir s VAL 510 N 0.52 3.30 -0.48 2.92 1.01 0.04 -0.62 120.40 127.09 1nir s VAL 510 Ca -0.09 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1nir s VAL 510 Cb -0.16 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1nir s VAL 510 CO 0.04 0.54 1.23 -0.62 0.00 0.00 0.00 175.10 176.30 1nir s ASP 511 N -0.92 6.50 0.48 3.32 -1.08 -0.57 -1.47 116.67 122.93 1nir s ASP 511 Ca 0.13 0.49 0.17 0.00 -0.52 0.00 0.00 52.55 52.82 1nir s ASP 511 Cb -0.11 -2.55 1.15 0.00 -1.46 0.00 0.00 42.92 39.96 1nir s ASP 511 CO 0.02 -1.36 2.05 -0.78 0.52 0.00 0.00 175.17 175.62 1nir h ASP 512 N 9.77 0.00 0.53 -0.34 3.58 -1.25 0.59 116.42 129.29 1nir h ASP 512 Ca -0.25 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.08 1nir h ASP 512 Cb 1.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1nir h ASP 512 CO 1.13 0.12 -0.56 0.50 -2.88 0.00 0.00 179.24 177.55 1nir h LYS 513 N 0.00 0.03 0.00 0.28 3.64 -1.91 -3.34 116.57 115.28 1nir h LYS 513 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nir h LYS 513 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1nir h LYS 513 CO 0.02 0.58 -0.39 0.25 -2.27 0.00 0.00 179.45 177.64 1nir n THR 514 N -3.88 0.00 -2.00 1.00 -2.24 -1.05 -5.00 114.28 101.11 1nir n THR 514 Ca -0.01 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 1nir n THR 514 Cb 0.57 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1nir n THR 514 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nir n LEU 515 N -1.20 -1.57 -4.70 3.22 4.77 0.20 -5.00 117.00 112.72 1nir n LEU 515 Ca 0.00 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 1nir n LEU 515 Cb 0.07 -2.47 -0.08 0.00 -2.33 0.00 0.00 43.42 38.61 1nir n LEU 515 CO 0.08 -0.46 -0.32 -0.54 -1.33 0.00 0.00 177.39 174.81 1nir s LYS 516 N -4.30 2.64 0.23 3.23 3.01 -1.21 -4.90 119.74 118.44 1nir s LYS 516 Ca 0.00 -0.77 -0.32 0.00 -1.01 0.00 0.00 55.97 53.87 1nir s LYS 516 Cb 0.00 -2.59 -0.13 0.00 -1.01 0.00 0.00 37.83 34.09 1nir s LYS 516 CO 0.00 0.56 1.46 -0.11 0.51 0.00 0.00 175.35 177.77 1nir n LEU 517 N 0.71 3.22 -0.03 3.17 7.94 -1.26 -1.51 117.00 129.24 1nir n LEU 517 Ca -0.11 1.13 -0.03 0.00 -1.11 0.00 0.00 56.01 55.88 1nir n LEU 517 Cb 0.52 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 43.00 1nir n LEU 517 CO 0.39 -0.39 -0.67 1.17 -1.11 0.00 0.00 177.39 176.78 1nir n LYS 518 N 2.34 1.26 -3.51 1.96 4.81 0.21 -4.79 118.16 120.45 1nir n LYS 518 Ca 0.12 0.02 -0.10 0.00 -0.87 0.00 0.00 58.31 57.48 1nir n LYS 518 Cb 0.31 -1.11 -0.03 0.00 0.02 0.00 0.00 35.03 34.22 1nir n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nir s ALA 519 N -2.11 -1.81 -0.08 3.14 0.00 -0.96 -5.00 121.76 114.94 1nir s ALA 519 Ca -0.06 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 1nir s ALA 519 Cb 0.02 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1nir s ALA 519 CO 0.15 -0.60 -0.04 0.08 0.00 0.00 0.00 175.76 175.35 1nir s VAL 520 N -2.67 0.67 -0.36 0.00 1.01 -1.26 -1.08 120.40 116.71 1nir s VAL 520 Ca 0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1nir s VAL 520 Cb -0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1nir s VAL 520 CO -0.06 0.30 0.36 -0.69 0.00 0.00 0.00 175.10 175.01 1nir s VAL 521 N 1.64 5.17 0.02 2.92 1.01 -0.30 -4.96 120.40 125.90 1nir s VAL 521 Ca 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1nir s VAL 521 Cb -0.13 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1nir s VAL 521 CO -0.05 -0.17 -0.19 -0.54 0.00 0.00 0.00 175.10 174.15 1nir s LYS 522 N 1.99 1.43 -0.28 2.72 1.02 -1.26 -2.04 119.74 123.32 1nir s LYS 522 Ca 0.11 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.05 1nir s LYS 522 Cb -0.17 -1.46 0.13 0.00 -0.52 0.00 0.00 37.83 35.81 1nir s LYS 522 CO 0.12 0.39 1.05 0.34 -0.92 0.00 0.00 175.35 176.32 1nir s ASP 523 N -0.82 -0.44 0.59 2.83 -1.08 -1.26 -5.02 116.67 111.46 1nir s ASP 523 Ca 0.07 0.82 0.39 0.00 -0.52 0.00 0.00 52.55 53.32 1nir s ASP 523 Cb -0.08 0.87 2.06 0.00 -1.46 0.00 0.00 42.92 44.31 1nir s ASP 523 CO 0.01 -0.14 2.19 1.55 0.52 0.00 0.00 175.17 179.30 1nir h PRO 524 N 4.35 0.00 0.00 4.34 0.13 -2.00 -1.50 132.00 137.31 1nir h PRO 524 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nir h PRO 524 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nir h PRO 524 CO 0.12 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 177.54 1nir h ARG 525 N 0.00 0.00 -5.76 0.86 3.08 -2.02 -3.41 114.38 107.13 1nir h ARG 525 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1nir h ARG 525 Cb 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 1nir h ARG 525 CO 0.00 0.00 2.02 -0.11 -1.07 0.00 0.00 179.97 180.81 1nir n LEU 526 N -2.54 4.63 -4.68 3.04 7.94 -0.57 -4.95 117.00 119.87 1nir n LEU 526 Ca 0.03 -3.79 -0.36 0.00 -1.11 0.00 0.00 56.01 50.78 1nir n LEU 526 Cb 0.48 -1.75 -0.09 0.00 0.53 0.00 0.00 43.42 42.60 1nir n LEU 526 CO 0.35 -0.19 -0.15 -0.63 -1.11 0.00 0.00 177.39 175.66 1nir s ILE 527 N 5.45 5.36 -1.26 1.96 1.01 -1.26 -4.46 121.20 127.99 1nir s ILE 527 Ca 0.56 0.24 -0.25 0.00 0.00 0.00 0.00 60.65 61.21 1nir s ILE 527 Cb 0.03 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 39.01 1nir s ILE 527 CO 0.09 0.37 0.59 0.35 0.00 0.00 0.00 174.94 176.34 1nir n THR 528 N 4.04 -3.19 -2.05 2.92 -2.24 -1.26 -3.75 114.28 108.76 1nir n THR 528 Ca -0.15 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 1nir n THR 528 Cb 0.52 -2.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.14 1nir n THR 528 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1nir s PRO 529 N -7.07 4.28 0.00 -0.78 0.04 -1.25 -2.68 135.00 127.54 1nir s PRO 529 Ca 0.39 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1nir s PRO 529 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1nir s PRO 529 CO 0.95 -0.45 0.00 0.25 0.04 0.00 0.00 177.00 177.79 1nir n THR 530 N 3.04 0.00 -2.27 1.26 -2.24 -0.26 -4.07 114.28 109.74 1nir n THR 530 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1nir n THR 530 Cb 0.40 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1nir n THR 530 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nir s GLY 531 N 0.00 2.55 -0.08 3.38 0.00 -1.26 -4.73 107.32 107.19 1nir s GLY 531 Ca 0.00 1.06 0.05 0.00 0.00 0.00 0.00 44.72 45.83 1nir s GLY 531 CO 0.00 1.99 -0.23 0.54 0.00 0.00 0.00 173.10 175.41 1nir s LYS 532 N -0.23 2.64 -0.25 2.90 1.02 -1.26 -1.10 119.74 123.47 1nir s LYS 532 Ca 0.55 -0.82 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 1nir s LYS 532 Cb -0.35 -2.10 0.08 0.00 -0.52 0.00 0.00 37.83 34.94 1nir s LYS 532 CO 0.38 0.23 0.05 -0.06 -0.92 0.00 0.00 175.35 175.04 1nir s PHE 533 N 0.19 1.47 0.12 3.18 0.08 -0.55 -4.93 117.98 117.55 1nir s PHE 533 Ca -0.12 -1.34 -0.31 0.00 0.12 0.00 0.00 56.93 55.27 1nir s PHE 533 Cb -0.16 -1.38 -0.09 0.00 -0.57 0.00 0.00 43.02 40.82 1nir s PHE 533 CO 0.06 -0.75 1.54 1.21 -0.10 0.00 0.00 175.22 177.19 1nir s ASN 534 N 1.70 6.65 0.14 1.36 3.84 -1.26 -1.47 114.94 125.91 1nir s ASN 534 Ca 0.03 2.50 -0.28 0.00 0.21 0.00 0.00 52.86 55.33 1nir s ASN 534 Cb -0.17 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 37.92 1nir s ASN 534 CO -0.16 -0.80 1.58 0.58 -2.79 0.00 0.00 177.10 175.52 1nir h VAL 535 N 4.30 0.15 0.09 -5.21 2.07 -1.04 -1.32 116.25 115.29 1nir h VAL 535 Ca -0.42 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1nir h VAL 535 Cb 1.20 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1nir h VAL 535 CO 0.91 0.00 -0.04 0.22 0.02 0.00 0.00 177.57 178.67 1nir h TYR 536 N -0.41 -0.11 0.00 1.57 3.20 -1.61 -1.02 116.97 118.60 1nir h TYR 536 Ca 0.11 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1nir h TYR 536 Cb 0.60 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1nir h TYR 536 CO -0.53 -0.01 -0.18 -0.91 -1.64 0.00 0.00 178.16 174.89 1nir h ASN 537 N -0.19 0.00 0.00 -2.11 2.35 -1.81 -0.83 115.58 112.99 1nir h ASN 537 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1nir h ASN 537 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1nir h ASN 537 CO 0.02 0.18 -0.00 0.74 -1.65 0.00 0.00 177.43 176.72 1nir h THR 538 N 0.00 1.63 -0.93 2.81 2.02 -1.12 0.49 112.91 117.80 1nir h THR 538 Ca -0.00 -1.95 0.06 0.00 0.77 0.00 0.00 66.41 65.28 1nir h THR 538 Cb 0.33 2.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.62 1nir h THR 538 CO 0.02 0.50 0.60 -0.61 0.37 0.00 0.00 175.52 176.40 1nir h GLN 539 N -0.85 1.07 -0.61 6.66 4.15 -0.99 -2.64 115.11 121.90 1nir h GLN 539 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1nir h GLN 539 Cb 0.83 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1nir h GLN 539 CO 0.00 0.71 0.00 0.72 -1.93 0.00 0.00 178.83 178.33 1nir n HIS 540 N -4.54 1.31 -3.92 3.99 8.25 -0.33 -4.96 115.22 115.01 1nir n HIS 540 Ca 0.14 -0.61 -0.32 0.00 -0.26 0.00 0.00 57.72 56.67 1nir n HIS 540 Cb 0.16 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1nir n HIS 540 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1nir n ASP 541 N 1.03 -2.49 -4.41 0.41 9.92 -0.90 -4.90 116.55 115.21 1nir n ASP 541 Ca 0.24 -1.09 -0.44 0.00 -0.53 0.00 0.00 54.79 52.97 1nir n ASP 541 Cb 0.82 -2.79 -0.04 0.00 -0.64 0.00 0.00 41.12 38.48 1nir n ASP 541 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1nir s VAL 542 N -3.76 4.66 0.00 2.53 1.01 0.11 -5.02 120.40 119.93 1nir s VAL 542 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1nir s VAL 542 Cb -0.10 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1nir s VAL 542 CO 0.90 -1.30 0.00 0.00 0.00 0.00 0.00 175.10 174.71