#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2own s LEU 4 N 0.00 4.39 -0.31 -4.42 2.96 -1.26 -2.18 118.68 117.86 2own s LEU 4 Ca 0.00 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 2own s LEU 4 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2own s LEU 4 CO 0.00 -0.98 0.00 0.61 -1.32 0.00 0.00 176.35 174.66 2own n GLY 5 N 4.21 0.58 0.36 7.98 0.00 -1.25 -4.94 105.19 112.13 2own n GLY 5 Ca 0.18 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2own n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2own h ALA 6 N 0.00 1.82 -0.24 4.61 0.00 -1.76 -1.80 119.26 121.89 2own h ALA 6 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2own h ALA 6 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2own h ALA 6 CO 0.09 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.45 2own n ASN 7 N -4.50 2.28 -4.81 0.00 3.02 -1.26 -4.93 115.26 105.06 2own n ASN 7 Ca 0.13 -1.82 -0.33 0.00 -0.03 0.00 0.00 54.58 52.52 2own n ASN 7 Cb 0.34 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 2own n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2own s ALA 8 N -1.69 3.00 0.28 5.41 0.00 -0.68 -4.93 121.76 123.14 2own s ALA 8 Ca 0.34 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 2own s ALA 8 Cb 0.19 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 20.02 2own s ALA 8 CO 0.28 0.00 1.52 -1.12 0.00 0.00 0.00 175.76 176.44 2own s SER 9 N -2.11 6.49 -0.65 0.00 0.01 -0.95 -4.98 113.70 111.51 2own s SER 9 Ca 0.63 2.84 -0.04 0.00 1.31 0.00 0.00 55.95 60.69 2own s SER 9 Cb -0.11 -2.63 0.17 0.00 0.21 0.00 0.00 66.02 63.65 2own s SER 9 CO 0.15 -0.81 0.49 -0.22 0.41 0.00 0.00 173.24 173.25 2own s LEU 10 N -0.61 5.45 0.11 2.44 2.96 -1.26 -4.32 118.68 123.44 2own s LEU 10 Ca 0.60 -2.84 -0.29 0.00 -0.22 0.00 0.00 54.13 51.39 2own s LEU 10 Cb -0.45 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.28 2own s LEU 10 CO 0.47 -0.40 0.91 -0.47 -1.32 0.00 0.00 176.35 175.55 2own s TYR 11 N -0.04 3.81 0.05 5.38 6.14 -0.25 -4.86 117.35 127.58 2own s TYR 11 Ca 0.17 1.73 0.01 0.00 0.64 0.00 0.00 57.07 59.62 2own s TYR 11 Cb -0.19 -2.98 -0.03 0.00 0.42 0.00 0.00 41.96 39.18 2own s TYR 11 CO -0.04 0.25 -0.06 -1.54 0.64 0.00 0.00 175.55 174.81 2own s SER 12 N -0.15 0.74 0.10 4.32 1.04 -1.26 0.31 113.70 118.81 2own s SER 12 Ca 0.44 -0.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.98 2own s SER 12 Cb -0.23 0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2own s SER 12 CO 0.28 -0.35 0.41 -1.83 0.98 0.00 0.00 173.24 172.74 2own s GLU 13 N -2.49 1.04 0.00 4.02 -1.05 -0.68 -5.00 118.70 114.55 2own s GLU 13 Ca -0.03 -0.61 -0.09 0.00 -0.15 0.00 0.00 54.97 54.10 2own s GLU 13 Cb -0.03 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 2own s GLU 13 CO -0.03 -0.40 0.31 -0.65 0.95 0.00 0.00 175.26 175.44 2own s GLN 14 N -3.45 3.66 -0.07 -4.83 -1.52 -1.26 -0.75 119.66 111.45 2own s GLN 14 Ca 0.01 0.07 -0.03 0.00 -1.95 0.00 0.00 55.36 53.46 2own s GLN 14 Cb 0.01 -3.10 0.04 0.00 -0.22 0.00 0.00 33.01 29.74 2own s GLN 14 CO -0.10 0.65 0.14 -1.58 -0.25 0.00 0.00 175.29 174.16 2own s HIS 15 N -1.24 -0.15 -0.24 0.91 5.65 -0.01 -4.97 115.29 115.24 2own s HIS 15 Ca 0.26 0.49 -0.24 0.00 0.25 0.00 0.00 55.06 55.82 2own s HIS 15 Cb -0.14 -0.15 -0.01 0.00 -1.18 0.00 0.00 32.58 31.10 2own s HIS 15 CO 0.14 -0.19 0.79 0.50 -0.65 0.00 0.00 174.74 175.33 2own s ARG 16 N 1.48 4.18 -0.26 2.88 3.00 -1.26 -0.84 118.95 128.13 2own s ARG 16 Ca -0.06 0.87 -0.29 0.00 -1.00 0.00 0.00 55.73 55.25 2own s ARG 16 Cb -0.12 -3.64 -0.00 0.00 0.00 0.00 0.00 34.95 31.19 2own s ARG 16 CO -0.06 -0.48 1.29 0.42 0.00 0.00 0.00 175.30 176.47 2own s ILE 17 N 2.73 4.19 0.48 4.11 -1.09 -0.19 -4.97 121.20 126.47 2own s ILE 17 Ca 0.33 1.38 -0.04 0.00 -2.23 0.00 0.00 60.65 60.09 2own s ILE 17 Cb -0.15 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 2own s ILE 17 CO 0.08 -0.36 0.77 0.42 -1.23 0.00 0.00 174.94 174.62 2own s THR 18 N 4.10 4.67 0.29 2.92 -4.23 -1.26 0.34 115.64 122.47 2own s THR 18 Ca 0.56 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2own s THR 18 Cb -0.18 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.17 2own s THR 18 CO 0.20 -0.73 1.87 0.10 -0.54 0.00 0.00 174.62 175.52 2own h TYR 19 N 0.22 1.12 0.00 3.99 -0.00 -1.95 -2.33 116.97 118.02 2own h TYR 19 Ca -0.47 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.28 2own h TYR 19 Cb 1.22 -0.36 -0.00 0.00 -0.00 0.00 0.00 36.73 37.58 2own h TYR 19 CO 0.55 0.51 -0.06 0.10 -0.00 0.00 0.00 178.16 179.25 2own h TYR 20 N 1.03 0.00 -0.00 0.10 -0.00 -1.98 -2.10 116.97 114.01 2own h TYR 20 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.19 2own h TYR 20 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.10 2own h TYR 20 CO -0.00 0.06 -0.08 0.39 -0.00 0.00 0.00 178.16 178.53 2own n GLU 21 N -3.19 0.59 -4.03 0.10 1.02 -0.88 -4.92 120.64 109.32 2own n GLU 21 Ca 0.00 -0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 56.77 2own n GLU 21 Cb 0.34 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 2own n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2own n ASP 23 N -1.20 0.75 0.27 0.00 5.68 -0.25 -4.85 116.55 116.95 2own n ASP 23 Ca -0.03 -1.64 0.18 0.00 -0.50 0.00 0.00 54.79 52.80 2own n ASP 23 Cb 0.60 -0.37 0.95 0.00 -1.14 0.00 0.00 41.12 41.17 2own n ASP 23 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2own h ARG 24 N 0.00 0.00 -0.01 0.11 0.11 -1.96 -2.34 114.38 110.29 2own h ARG 24 Ca -0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2own h ARG 24 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2own h ARG 24 CO 0.20 0.00 -0.01 0.25 0.10 0.00 0.00 179.97 180.51 2own n THR 25 N -2.75 0.00 -1.27 0.08 -2.24 -1.26 -4.94 114.28 101.90 2own n THR 25 Ca -0.02 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 2own n THR 25 Cb 0.07 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 2own n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2own n GLY 26 N 1.12 0.53 3.36 3.38 0.00 -0.88 -5.02 105.19 107.69 2own n GLY 26 Ca 0.20 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 2own n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2own s ARG 27 N -2.60 1.61 0.39 1.61 0.52 -1.26 -0.34 118.95 118.89 2own s ARG 27 Ca 0.00 -1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 53.72 2own s ARG 27 Cb 0.00 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.44 2own s ARG 27 CO 0.00 0.48 1.44 0.00 0.02 0.00 0.00 175.30 177.24 2own s ALA 28 N -0.92 3.45 0.67 2.13 0.00 0.96 -1.09 121.76 126.97 2own s ALA 28 Ca 0.13 1.49 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 2own s ALA 28 Cb -0.10 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.46 2own s ALA 28 CO 0.04 -1.03 1.04 0.95 0.00 0.00 0.00 175.76 176.75 2own s THR 29 N -1.16 3.44 0.37 0.00 -4.23 -1.09 -4.77 115.64 108.21 2own s THR 29 Ca 0.55 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.38 2own s THR 29 Cb -0.44 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.22 2own s THR 29 CO 0.59 -0.53 2.03 -0.07 -0.54 0.00 0.00 174.62 176.10 2own h LEU 30 N -0.52 0.65 -0.01 4.79 3.38 -1.94 -0.77 115.31 120.89 2own h LEU 30 Ca -0.45 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2own h LEU 30 Cb 1.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2own h LEU 30 CO 0.63 0.47 -0.05 0.74 0.09 0.00 0.00 178.44 180.31 2own h THR 31 N 0.76 0.86 -0.70 0.22 2.02 -1.91 -2.17 112.91 111.99 2own h THR 31 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.40 2own h THR 31 Cb -0.09 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 2own h THR 31 CO -0.04 0.00 0.46 0.74 0.37 0.00 0.00 175.52 177.05 2own h THR 32 N -0.09 1.17 -0.21 3.16 2.02 -1.71 -0.71 112.91 116.54 2own h THR 32 Ca 0.03 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2own h THR 32 Cb 0.12 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 2own h THR 32 CO -0.06 0.17 0.01 0.25 0.37 0.00 0.00 175.52 176.26 2own h LEU 33 N 0.94 -0.06 -0.38 2.58 5.85 -0.93 -0.40 115.31 122.90 2own h LEU 33 Ca 0.26 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 2own h LEU 33 Cb -0.10 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2own h LEU 33 CO -0.06 -0.00 -0.08 0.40 -0.34 0.00 0.00 178.44 178.36 2own h ILE 34 N 0.08 1.27 -0.49 4.05 1.08 -1.30 -1.92 117.51 120.28 2own h ILE 34 Ca 0.10 -1.15 0.09 0.00 -0.39 0.00 0.00 64.86 63.51 2own h ILE 34 Cb 0.12 1.24 -0.08 0.00 -3.07 0.00 0.00 36.82 35.03 2own h ILE 34 CO -0.16 0.38 0.02 0.44 -0.69 0.00 0.00 178.15 178.14 2own h ASP 35 N 0.53 -0.17 0.46 1.72 3.32 -0.75 -0.58 116.42 120.95 2own h ASP 35 Ca 0.10 0.11 -0.19 0.00 0.02 0.00 0.00 57.03 57.07 2own h ASP 35 Cb 0.59 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2own h ASP 35 CO 0.04 -0.05 -0.80 0.16 -1.72 0.00 0.00 179.24 176.86 2own h ILE 36 N 0.14 1.44 0.28 0.35 3.07 -1.06 -1.16 117.51 120.57 2own h ILE 36 Ca 0.25 -2.39 -0.01 0.00 1.55 0.00 0.00 64.86 64.26 2own h ILE 36 Cb 0.37 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 2own h ILE 36 CO -0.39 0.70 -0.15 0.00 -1.05 0.00 0.00 178.15 177.26 2own h ALA 37 N 0.99 -0.39 -0.31 0.16 0.00 -1.02 -2.42 119.26 116.26 2own h ALA 37 Ca -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2own h ALA 37 Cb 1.39 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2own h ALA 37 CO 0.13 -0.73 -0.04 0.28 0.00 0.00 0.00 179.25 178.89 2own h VAL 38 N -0.40 1.20 -0.25 0.00 2.07 -1.12 -2.47 116.25 115.28 2own h VAL 38 Ca -0.03 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2own h VAL 38 Cb 0.32 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2own h VAL 38 CO 0.05 0.28 0.05 0.25 0.02 0.00 0.00 177.57 178.22 2own h LEU 39 N 0.47 0.02 -0.49 2.57 5.85 -1.05 0.14 115.31 122.82 2own h LEU 39 Ca 0.10 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2own h LEU 39 Cb 0.37 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2own h LEU 39 CO 0.02 0.04 0.29 0.00 -0.34 0.00 0.00 178.44 178.45 2own h ALA 40 N 1.18 0.63 -0.36 1.25 0.00 -1.17 -1.31 119.26 119.47 2own h ALA 40 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2own h ALA 40 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2own h ALA 40 CO -0.15 0.12 0.19 1.03 0.00 0.00 0.00 179.25 180.44 2own h SER 41 N 0.66 0.46 -0.65 0.00 0.87 -1.13 -0.09 113.55 113.66 2own h SER 41 Ca 0.18 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2own h SER 41 Cb -0.00 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 2own h SER 41 CO -0.03 0.43 0.21 -0.33 -0.53 0.00 0.00 176.83 176.57 2own h GLU 42 N 0.45 1.00 -0.66 2.24 5.08 -0.61 -1.46 114.58 120.63 2own h GLU 42 Ca 0.13 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2own h GLU 42 Cb 0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2own h GLU 42 CO -0.02 0.88 0.18 -0.44 -1.00 0.00 0.00 179.01 178.61 2own h ASP 43 N 0.93 0.99 0.14 1.42 3.32 -1.02 0.21 116.42 122.42 2own h ASP 43 Ca 0.21 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2own h ASP 43 Cb 0.29 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2own h ASP 43 CO -0.01 0.95 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.75 2own h GLN 44 N 0.98 -0.24 -0.37 3.56 4.15 -0.88 -1.76 115.11 120.54 2own h GLN 44 Ca 0.21 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.66 2own h GLN 44 Cb 0.33 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 2own h GLN 44 CO -0.00 -0.16 0.21 0.77 -1.93 0.00 0.00 178.83 177.72 2own h SER 45 N -0.25 0.34 -0.60 -0.69 0.02 -1.02 -2.62 113.55 108.74 2own h SER 45 Ca -0.01 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2own h SER 45 Cb 0.22 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 2own h SER 45 CO -0.00 0.24 0.36 0.44 -1.14 0.00 0.00 176.83 176.73 2own h ASP 46 N 0.43 0.58 -0.23 3.07 3.32 -0.54 0.30 116.42 123.35 2own h ASP 46 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2own h ASP 46 Cb 0.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2own h ASP 46 CO -0.07 0.40 0.15 0.00 -1.72 0.00 0.00 179.24 178.00 2own h ALA 47 N 1.27 1.83 -0.14 3.45 0.00 -1.07 -2.03 119.26 122.57 2own h ALA 47 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2own h ALA 47 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2own h ALA 47 CO -0.11 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2own n LEU 48 N -4.50 1.45 0.00 0.00 4.77 -0.89 -4.92 117.00 112.90 2own n LEU 48 Ca 0.00 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2own n LEU 48 Cb 0.07 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2own n LEU 48 CO 0.35 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2own n GLY 49 N 1.09 0.70 2.55 -0.72 0.00 -0.76 -4.96 105.19 103.08 2own n GLY 49 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2own n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2own n LEU 50 N 0.00 7.71 -4.81 0.99 4.77 0.10 -4.88 117.00 120.88 2own n LEU 50 Ca 0.00 -4.98 -0.30 0.00 -0.03 0.00 0.00 56.01 50.70 2own n LEU 50 Cb 0.00 -1.28 0.08 0.00 -2.33 0.00 0.00 43.42 39.89 2own n LEU 50 CO 0.00 2.02 0.71 0.42 -1.33 0.00 0.00 177.39 179.22 2own s THR 51 N -2.36 3.34 0.28 -5.08 -4.23 -1.26 -4.03 115.64 102.30 2own s THR 51 Ca 0.50 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 61.43 2own s THR 51 Cb 0.21 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2own s THR 51 CO -0.13 -0.57 1.90 0.71 -0.54 0.00 0.00 174.62 176.00 2own h THR 52 N -0.97 1.09 0.00 3.99 1.35 -1.95 -0.82 112.91 115.60 2own h THR 52 Ca -0.46 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2own h THR 52 Cb 1.25 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2own h THR 52 CO 0.59 0.20 0.00 1.21 -0.25 0.00 0.00 175.52 177.27 2own n GLU 53 N -4.48 0.29 0.00 4.72 0.00 -1.26 -1.52 120.64 118.39 2own n GLU 53 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2own n GLU 53 Cb 0.17 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.44 2own n GLU 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2own n VAL 55 N 0.43 0.00 0.20 6.31 0.31 -0.31 -1.48 118.33 123.78 2own n VAL 55 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2own n VAL 55 Cb 0.08 0.00 0.58 0.00 -0.91 0.00 0.00 33.84 33.59 2own n VAL 55 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2own h GLN 56 N 0.00 0.11 0.00 5.55 4.20 -1.35 -2.24 115.11 121.39 2own h GLN 56 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2own h GLN 56 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2own h GLN 56 CO 0.00 0.10 0.00 0.66 -0.67 0.00 0.00 178.83 178.92 2own h SER 57 N 0.12 0.00 -0.38 1.46 4.64 -1.52 -2.18 113.55 115.68 2own h SER 57 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2own h SER 57 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2own h SER 57 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2own n HIS 58 N -2.98 0.55 -1.27 4.77 8.25 -0.84 -4.95 115.22 118.76 2own n HIS 58 Ca -0.01 -0.26 -0.09 0.00 -0.26 0.00 0.00 57.72 57.09 2own n HIS 58 Cb 0.19 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 2own n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2own n GLY 59 N 1.06 1.07 3.33 -1.41 0.00 -0.82 -5.02 105.19 103.41 2own n GLY 59 Ca 0.13 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2own n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2own s VAL 60 N -2.28 0.73 -0.12 1.61 -7.23 -1.25 -0.64 120.40 111.22 2own s VAL 60 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 2own s VAL 60 Cb 0.00 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.42 2own s VAL 60 CO 0.00 -0.10 0.42 -0.83 -0.31 0.00 0.00 175.10 174.27 2own s GLY 61 N -3.32 -0.30 0.10 2.32 0.00 -1.26 -3.69 107.32 101.18 2own s GLY 61 Ca 0.35 1.03 -0.28 0.00 0.00 0.00 0.00 44.72 45.82 2own s GLY 61 CO 0.12 0.85 0.88 -0.98 0.00 0.00 0.00 173.10 173.97 2own s TRP 62 N -0.16 3.81 -0.06 1.90 0.52 -1.26 -4.72 118.94 118.97 2own s TRP 62 Ca -0.03 1.69 0.01 0.00 0.02 0.00 0.00 56.10 57.78 2own s TRP 62 Cb -0.03 -2.95 0.02 0.00 -1.15 0.00 0.00 33.47 29.36 2own s TRP 62 CO 0.02 0.28 -0.06 0.08 0.02 0.00 0.00 176.95 177.28 2own s VAL 63 N -0.22 0.72 -0.03 4.03 1.01 -0.42 -5.00 120.40 120.49 2own s VAL 63 Ca 0.43 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2own s VAL 63 Cb -0.23 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2own s VAL 63 CO 0.27 0.28 0.92 0.54 0.00 0.00 0.00 175.10 177.11 2own s VAL 64 N 1.05 4.90 -0.21 2.92 0.11 -1.26 -0.98 120.40 126.92 2own s VAL 64 Ca -0.09 1.91 0.14 0.00 -2.93 0.00 0.00 61.98 61.01 2own s VAL 64 Cb -0.14 -4.25 -0.23 0.00 -1.53 0.00 0.00 36.38 30.23 2own s VAL 64 CO -0.00 0.17 -0.01 0.35 -3.33 0.00 0.00 175.10 172.27 2own n THR 65 N 3.94 1.39 -3.79 5.04 -2.24 0.27 -4.70 114.28 114.19 2own n THR 65 Ca 0.05 -0.77 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 2own n THR 65 Cb 0.51 -0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 2own n THR 65 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2own s GLN 66 N -2.49 0.60 -0.01 -0.78 -0.21 -1.14 -0.63 119.66 115.00 2own s GLN 66 Ca -0.16 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.05 2own s GLN 66 Cb 0.07 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.33 2own s GLN 66 CO 0.76 -0.16 -0.11 0.71 -2.12 0.00 0.00 175.29 174.37 2own s TYR 67 N -1.23 1.05 -0.13 0.91 2.02 -0.75 -1.75 117.35 117.47 2own s TYR 67 Ca -0.13 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2own s TYR 67 Cb -0.06 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.84 2own s TYR 67 CO 0.03 -0.05 -0.12 0.00 -1.57 0.00 0.00 175.55 173.85 2own s ALA 68 N -0.14 1.66 -0.15 3.71 0.00 -0.35 -0.57 121.76 125.92 2own s ALA 68 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2own s ALA 68 Cb -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2own s ALA 68 CO -0.00 -0.39 -0.18 0.42 0.00 0.00 0.00 175.76 175.62 2own s ILE 69 N 1.55 1.83 -0.30 0.00 1.01 0.90 -1.02 121.20 125.17 2own s ILE 69 Ca 0.05 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 2own s ILE 69 Cb -0.13 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2own s ILE 69 CO -0.10 0.50 0.18 -1.81 0.00 0.00 0.00 174.94 173.72 2own s ASP 70 N 1.24 5.83 -0.23 3.58 1.01 0.46 -1.32 116.67 127.23 2own s ASP 70 Ca 0.02 -0.24 -0.05 0.00 0.71 0.00 0.00 52.55 52.99 2own s ASP 70 Cb -0.14 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 2own s ASP 70 CO -0.09 -0.12 0.00 -0.63 0.21 0.00 0.00 175.17 174.54 2own s ILE 71 N 1.70 3.72 -0.17 0.77 1.09 0.70 -1.13 121.20 127.90 2own s ILE 71 Ca 0.06 -0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 59.04 2own s ILE 71 Cb -0.16 -2.73 -0.15 0.00 -1.06 0.00 0.00 42.46 38.36 2own s ILE 71 CO 0.09 0.37 0.20 0.74 -0.10 0.00 0.00 174.94 176.24 2own h THR 72 N 5.67 0.76 0.00 2.92 2.02 -1.32 -3.40 112.91 119.56 2own h THR 72 Ca -0.40 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 64.97 2own h THR 72 Cb 1.16 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2own h THR 72 CO 0.59 0.26 0.00 -1.14 0.37 0.00 0.00 175.52 175.60 2own n ARG 73 N -4.54 0.00 -3.89 6.66 0.63 -0.95 -5.03 116.66 109.54 2own n ARG 73 Ca -0.19 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.38 2own n ARG 73 Cb 0.48 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.33 2own n ARG 73 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2own s PRO 75 N 4.54 3.43 0.37 -0.14 0.02 -1.26 -4.43 135.00 137.53 2own s PRO 75 Ca 0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 61.00 60.83 2own s PRO 75 Cb 0.00 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 2own s PRO 75 CO 0.00 0.75 0.59 1.03 -0.33 0.00 0.00 177.00 179.04 2own s ARG 76 N -1.29 3.49 0.22 5.54 0.52 -1.26 -0.02 118.95 126.15 2own s ARG 76 Ca 0.18 -0.24 -0.32 0.00 -0.52 0.00 0.00 55.73 54.83 2own s ARG 76 Cb -0.12 -2.61 -0.13 0.00 0.52 0.00 0.00 34.95 32.61 2own s ARG 76 CO 0.08 0.08 1.58 0.94 0.02 0.00 0.00 175.30 178.00 2own n GLN 77 N -1.87 2.41 -1.01 3.54 7.27 0.54 -2.10 117.38 126.16 2own n GLN 77 Ca -0.04 0.86 -0.00 0.00 0.07 0.00 0.00 57.00 57.89 2own n GLN 77 Cb 0.56 -2.63 -0.00 0.00 2.41 0.00 0.00 30.24 30.58 2own n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2own n ASP 78 N 2.92 -4.52 -4.77 1.69 8.00 0.15 -5.00 116.55 115.03 2own n ASP 78 Ca 0.13 0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 2own n ASP 78 Cb 0.33 -2.05 -0.06 0.00 -0.02 0.00 0.00 41.12 39.32 2own n ASP 78 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2own s GLU 79 N -1.09 4.58 -0.49 -1.24 2.12 -0.89 -4.75 118.70 116.93 2own s GLU 79 Ca 0.00 1.17 -0.17 0.00 0.36 0.00 0.00 54.97 56.33 2own s GLU 79 Cb 0.00 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.18 2own s GLU 79 CO 0.00 0.52 0.52 0.08 -0.54 0.00 0.00 175.26 175.84 2own s VAL 80 N -0.97 5.04 0.20 3.70 1.01 -1.26 -1.02 120.40 127.10 2own s VAL 80 Ca 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2own s VAL 80 Cb -0.23 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2own s VAL 80 CO 0.26 -0.72 0.38 0.68 0.00 0.00 0.00 175.10 175.71 2own s VAL 81 N 2.16 5.22 -0.22 2.92 -7.23 -0.02 -3.72 120.40 119.51 2own s VAL 81 Ca 0.10 -0.47 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 2own s VAL 81 Cb -0.22 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 32.94 2own s VAL 81 CO 0.09 -0.19 0.06 -0.89 -0.31 0.00 0.00 175.10 173.86 2own s THR 82 N -1.88 4.47 -0.30 5.32 2.01 0.96 -0.83 115.64 125.39 2own s THR 82 Ca 0.38 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 2own s THR 82 Cb -0.11 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2own s THR 82 CO 0.29 0.38 0.11 -0.63 -0.69 0.00 0.00 174.62 174.09 2own s ILE 83 N 1.14 4.25 -0.06 1.82 1.09 0.07 -0.57 121.20 128.95 2own s ILE 83 Ca 0.04 -0.55 -0.00 0.00 -1.10 0.00 0.00 60.65 59.04 2own s ILE 83 Cb -0.14 -3.17 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 2own s ILE 83 CO 0.03 0.09 -0.02 0.00 -0.10 0.00 0.00 174.94 174.94 2own s ALA 84 N 1.55 3.18 0.03 9.38 0.00 0.47 -1.68 121.76 134.69 2own s ALA 84 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2own s ALA 84 Cb -0.17 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2own s ALA 84 CO 0.04 0.60 -0.06 0.54 0.00 0.00 0.00 175.76 176.88 2own s VAL 85 N -0.90 0.37 -0.14 0.00 0.11 0.15 -0.87 120.40 119.12 2own s VAL 85 Ca 0.14 -0.84 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 2own s VAL 85 Cb -0.11 -0.44 0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2own s VAL 85 CO 0.04 -0.32 0.31 -0.60 -3.33 0.00 0.00 175.10 171.20 2own s ARG 86 N -1.24 0.27 -1.19 1.54 3.52 -0.41 -1.09 118.95 120.35 2own s ARG 86 Ca -0.09 0.68 -0.16 0.00 -0.13 0.00 0.00 55.73 56.03 2own s ARG 86 Cb -0.08 -0.05 0.14 0.00 -1.56 0.00 0.00 34.95 33.40 2own s ARG 86 CO -0.00 -0.19 1.47 0.20 -0.81 0.00 0.00 175.30 175.97 2own s GLY 87 N 1.57 2.11 0.15 8.12 0.00 -1.26 -1.26 107.32 116.75 2own s GLY 87 Ca -0.07 -3.13 -0.13 0.00 0.00 0.00 0.00 44.72 41.38 2own s GLY 87 CO -0.10 2.24 1.69 1.76 0.00 0.00 0.00 173.10 178.69 2own h SER 88 N 7.58 0.73 -5.05 1.64 0.02 -1.71 -3.32 113.55 113.45 2own h SER 88 Ca 0.32 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2own h SER 88 Cb 0.90 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 2own h SER 88 CO 1.29 0.73 0.17 0.00 -1.14 0.00 0.00 176.83 177.88 2own s ALA 89 N -5.46 -1.02 0.03 3.77 0.00 -0.81 -1.22 121.76 117.04 2own s ALA 89 Ca -0.13 -0.43 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 2own s ALA 89 Cb 0.12 0.88 0.07 0.00 0.00 0.00 0.00 23.12 24.19 2own s ALA 89 CO 0.78 -1.00 0.65 1.52 0.00 0.00 0.00 175.76 177.71 2own s TYR 90 N -3.87 -0.62 0.17 0.00 1.13 -0.85 0.11 117.35 113.43 2own s TYR 90 Ca 0.13 0.83 0.00 0.00 -1.41 0.00 0.00 57.07 56.63 2own s TYR 90 Cb -0.05 0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 41.27 2own s TYR 90 CO 0.08 -0.70 0.01 0.27 -2.51 0.00 0.00 175.55 172.70 2own n ASN 91 N 0.44 2.27 -0.20 -0.18 6.94 -0.20 -1.14 115.26 123.18 2own n ASN 91 Ca -0.18 -1.77 0.15 0.00 -0.02 0.00 0.00 54.58 52.76 2own n ASN 91 Cb 0.60 0.16 0.47 0.00 -2.36 0.00 0.00 39.78 38.65 2own n ASN 91 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 2own h PRO 92 N 0.00 0.47 0.00 -0.53 0.11 -1.89 -3.32 132.00 126.84 2own h PRO 92 Ca -0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2own h PRO 92 Cb 0.44 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2own h PRO 92 CO 0.23 0.31 -0.74 0.66 -0.21 0.00 0.00 178.00 178.26 2own n TYR 93 N -4.50 0.00 -4.52 0.65 4.01 -1.26 0.09 117.16 111.62 2own n TYR 93 Ca 0.16 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.69 2own n TYR 93 Cb 0.54 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.37 2own n TYR 93 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2own s PHE 94 N -1.91 1.22 -0.08 -0.72 0.08 -1.25 -4.58 117.98 110.74 2own s PHE 94 Ca -0.00 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.80 2own s PHE 94 Cb 0.03 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 2own s PHE 94 CO 0.20 0.00 -0.13 0.00 -0.10 0.00 0.00 175.22 175.19 2own s ALA 95 N -0.51 2.67 -0.30 5.36 0.00 0.02 -1.03 121.76 127.96 2own s ALA 95 Ca 0.04 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 2own s ALA 95 Cb -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2own s ALA 95 CO 0.00 0.44 0.06 -0.47 0.00 0.00 0.00 175.76 175.79 2own s TYR 96 N -0.32 3.17 -0.08 0.00 5.04 0.12 -1.00 117.35 124.27 2own s TYR 96 Ca 0.03 -1.24 0.05 0.00 -2.44 0.00 0.00 57.07 53.47 2own s TYR 96 Cb -0.13 -2.22 -0.00 0.00 0.35 0.00 0.00 41.96 39.96 2own s TYR 96 CO 0.02 -0.65 -0.24 0.50 -1.34 0.00 0.00 175.55 173.84 2own s ARG 97 N 1.43 2.82 0.09 4.97 3.52 -0.66 -1.91 118.95 129.21 2own s ARG 97 Ca 0.01 -0.89 0.06 0.00 -0.13 0.00 0.00 55.73 54.78 2own s ARG 97 Cb -0.18 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 2own s ARG 97 CO 0.01 0.27 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.49 2own s GLU 98 N 0.12 2.29 0.00 5.12 2.02 -0.39 -0.88 118.70 126.98 2own s GLU 98 Ca -0.12 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2own s GLU 98 Cb -0.16 -2.39 -0.00 0.00 0.10 0.00 0.00 34.13 31.67 2own s GLU 98 CO 0.07 0.52 -0.02 -0.06 0.02 0.00 0.00 175.26 175.79 2own s PHE 99 N -1.23 0.17 -0.06 1.61 0.40 0.70 -1.29 117.98 118.27 2own s PHE 99 Ca 0.22 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 2own s PHE 99 Cb -0.11 -0.11 0.01 0.00 0.51 0.00 0.00 43.02 43.32 2own s PHE 99 CO 0.15 -0.03 -0.12 -1.58 0.70 0.00 0.00 175.22 174.33 2own s TRP 100 N -0.30 1.46 -0.25 0.36 0.51 -0.05 -0.70 118.94 119.97 2own s TRP 100 Ca -0.02 -0.53 -0.04 0.00 -2.12 0.00 0.00 56.10 53.38 2own s TRP 100 Cb -0.02 -1.07 0.01 0.00 -0.81 0.00 0.00 33.47 31.58 2own s TRP 100 CO -0.00 -0.27 -0.01 0.42 -0.51 0.00 0.00 176.95 176.58 2own s ILE 101 N 0.63 3.43 0.15 2.03 -1.09 0.21 -0.40 121.20 126.17 2own s ILE 101 Ca -0.14 -0.71 0.09 0.00 -2.23 0.00 0.00 60.65 57.66 2own s ILE 101 Cb -0.16 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 2own s ILE 101 CO 0.04 0.24 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.66 2own s ARG 102 N 1.44 1.27 1.06 2.79 0.52 0.26 -0.03 118.95 126.27 2own s ARG 102 Ca 0.03 -1.37 -0.18 0.00 -0.52 0.00 0.00 55.73 53.69 2own s ARG 102 Cb -0.16 -1.42 0.25 0.00 0.52 0.00 0.00 34.95 34.14 2own s ARG 102 CO -0.02 0.30 1.29 0.16 0.02 0.00 0.00 175.30 177.06 2own s ASP 103 N -2.49 2.20 0.50 0.23 1.47 -0.49 -0.03 116.67 118.07 2own s ASP 103 Ca 0.14 0.24 0.20 0.00 1.18 0.00 0.00 52.55 54.31 2own s ASP 103 Cb -0.07 -0.23 1.27 0.00 -0.34 0.00 0.00 42.92 43.54 2own s ASP 103 CO 0.06 -3.30 2.04 0.00 0.68 0.00 0.00 175.17 174.65 2own h ALA 104 N -2.03 2.23 -0.00 2.11 0.00 -1.91 -0.48 119.26 119.18 2own h ALA 104 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2own h ALA 104 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2own h ALA 104 CO 0.31 -0.34 -0.10 -0.25 0.00 0.00 0.00 179.25 178.88 2own n ASP 105 N -4.45 0.21 0.00 0.00 8.00 -1.26 -4.94 116.55 114.11 2own n ASP 105 Ca 0.06 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2own n ASP 105 Cb 0.40 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2own n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2own n GLY 106 N 1.37 0.60 3.73 0.44 0.00 -0.19 -5.05 105.19 106.09 2own n GLY 106 Ca 0.11 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2own n GLY 106 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2own s GLN 107 N -0.97 4.67 0.01 1.61 -0.21 -1.26 -4.77 119.66 118.73 2own s GLN 107 Ca 0.00 1.56 -0.30 0.00 0.02 0.00 0.00 55.36 56.64 2own s GLN 107 Cb 0.00 -3.33 -0.06 0.00 1.00 0.00 0.00 33.01 30.62 2own s GLN 107 CO 0.00 0.18 1.47 -1.14 -2.12 0.00 0.00 175.29 173.68 2own s GLN 108 N -0.24 4.26 -0.25 2.91 0.74 -1.26 -1.39 119.66 124.42 2own s GLN 108 Ca 0.47 2.05 -0.13 0.00 0.05 0.00 0.00 55.36 57.80 2own s GLN 108 Cb -0.26 -3.61 -0.15 0.00 1.10 0.00 0.00 33.01 30.08 2own s GLN 108 CO 0.32 -0.63 -0.15 1.28 -0.55 0.00 0.00 175.29 175.56 2own n LEU 109 N 5.58 2.12 -3.88 3.68 4.77 0.95 -4.73 117.00 125.48 2own n LEU 109 Ca 0.14 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.30 2own n LEU 109 Cb 0.43 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 2own n LEU 109 CO 0.60 0.57 -0.22 0.00 -1.33 0.00 0.00 177.39 177.00 2own s ALA 110 N -2.48 -0.23 -0.08 -1.18 0.00 -0.81 -0.98 121.76 115.99 2own s ALA 110 Ca -0.35 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2own s ALA 110 Cb 0.11 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2own s ALA 110 CO 0.55 -0.16 -0.10 -0.47 0.00 0.00 0.00 175.76 175.58 2own s TYR 111 N -1.06 1.44 -0.09 0.00 5.04 -0.28 -0.62 117.35 121.78 2own s TYR 111 Ca -0.11 -0.61 0.03 0.00 -2.44 0.00 0.00 57.07 53.93 2own s TYR 111 Cb -0.06 -1.12 0.01 0.00 0.35 0.00 0.00 41.96 41.14 2own s TYR 111 CO 0.01 -0.37 -0.17 0.42 -1.34 0.00 0.00 175.55 174.09 2own s ILE 112 N 1.11 1.57 0.12 3.14 1.01 0.13 -0.41 121.20 127.88 2own s ILE 112 Ca -0.06 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.93 2own s ILE 112 Cb -0.14 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2own s ILE 112 CO -0.02 0.45 -0.03 0.42 0.00 0.00 0.00 174.94 175.77 2own s THR 113 N 0.66 3.74 0.05 2.92 -4.23 -0.19 -0.22 115.64 118.36 2own s THR 113 Ca -0.13 -1.22 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 2own s THR 113 Cb -0.16 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 70.91 2own s THR 113 CO 0.04 0.03 0.48 -0.94 -0.54 0.00 0.00 174.62 173.69 2own s SER 114 N -2.51 -0.38 -0.12 3.99 1.04 -0.06 -1.21 113.70 114.45 2own s SER 114 Ca 0.25 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.82 2own s SER 114 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2own s SER 114 CO 0.17 -0.70 -0.22 -0.63 0.98 0.00 0.00 173.24 172.85 2own s ILE 115 N -2.46 2.23 0.03 -1.02 -1.09 -0.72 -1.65 121.20 116.51 2own s ILE 115 Ca -0.05 -0.95 0.07 0.00 -2.23 0.00 0.00 60.65 57.49 2own s ILE 115 Cb -0.01 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 2own s ILE 115 CO -0.02 0.55 -0.20 0.26 -1.23 0.00 0.00 174.94 174.30 2own s TRP 116 N 0.48 1.77 0.00 3.97 0.52 -0.17 -0.57 118.94 124.93 2own s TRP 116 Ca -0.14 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.61 2own s TRP 116 Cb -0.17 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 2own s TRP 116 CO 0.06 0.06 0.00 1.33 0.02 0.00 0.00 176.95 178.41 2own n VAL 117 N 2.05 0.00 -4.65 4.03 0.24 -0.15 -0.80 118.33 119.04 2own n VAL 117 Ca -0.17 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 2own n VAL 117 Cb 0.53 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 2own n VAL 117 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2own s SER 120 N 1.00 3.09 0.47 -1.34 0.15 -0.62 -1.31 113.70 115.14 2own s SER 120 Ca 0.00 -0.60 0.21 0.00 0.70 0.00 0.00 55.95 56.25 2own s SER 120 Cb 0.00 -1.44 1.15 0.00 -1.71 0.00 0.00 66.02 64.03 2own s SER 120 CO 0.00 0.08 1.99 1.56 1.20 0.00 0.00 173.24 178.07 2own h GLN 121 N 7.34 0.00 0.00 5.44 1.08 -1.18 -1.31 115.11 126.48 2own h GLN 121 Ca -0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2own h GLN 121 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2own h GLN 121 CO 0.55 0.19 -0.23 1.79 -0.95 0.00 0.00 178.83 180.19 2own h THR 122 N 0.00 0.00 0.00 -0.54 1.35 -1.99 -3.41 112.91 108.32 2own h THR 122 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2own h THR 122 Cb 0.42 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 2own h THR 122 CO 0.03 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.65 2own n THR 123 N -3.66 0.65 -1.65 6.82 -2.24 -1.26 -4.95 114.28 107.99 2own n THR 123 Ca -0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 2own n THR 123 Cb 0.12 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.44 2own n THR 123 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2own n ARG 124 N -2.06 -1.38 -4.46 -0.78 5.12 -0.49 -5.00 116.66 107.60 2own n ARG 124 Ca 0.04 1.17 -0.24 0.00 -1.93 0.00 0.00 57.85 56.89 2own n ARG 124 Cb 0.32 -5.52 -0.10 0.00 -1.16 0.00 0.00 32.46 25.99 2own n ARG 124 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2own s ARG 125 N -3.79 1.66 0.11 5.56 3.00 -1.26 -4.84 118.95 119.39 2own s ARG 125 Ca 0.00 -1.76 -0.31 0.00 0.00 0.00 0.00 55.73 53.67 2own s ARG 125 Cb 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 34.95 33.15 2own s ARG 125 CO 0.00 0.32 1.30 0.42 0.00 0.00 0.00 175.30 177.34 2own s ILE 126 N -2.54 3.55 0.38 1.52 1.01 -1.26 -1.59 121.20 122.28 2own s ILE 126 Ca 0.29 1.15 0.07 0.00 0.00 0.00 0.00 60.65 62.16 2own s ILE 126 Cb -0.05 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 2own s ILE 126 CO 0.14 0.11 -0.01 0.68 0.00 0.00 0.00 174.94 175.87 2own s VAL 127 N 0.87 1.93 0.50 2.92 -7.23 -1.26 -4.94 120.40 113.18 2own s VAL 127 Ca 0.61 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 2own s VAL 127 Cb -0.34 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 2own s VAL 127 CO 0.31 -0.05 1.26 -0.54 -0.31 0.00 0.00 175.10 175.77 2own s LYS 128 N -3.72 3.44 -0.01 4.82 1.02 -1.26 -4.80 119.74 119.24 2own s LYS 128 Ca 0.34 1.99 -0.30 0.00 0.02 0.00 0.00 55.97 58.03 2own s LYS 128 Cb 0.08 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 2own s LYS 128 CO 0.17 -0.87 1.51 0.42 -0.92 0.00 0.00 175.35 175.66 2own s ILE 129 N -1.43 3.55 -0.24 2.17 1.01 0.11 -4.95 121.20 121.43 2own s ILE 129 Ca 0.68 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 2own s ILE 129 Cb -0.34 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2own s ILE 129 CO 0.41 -0.02 1.49 -0.76 0.00 0.00 0.00 174.94 176.06 2own s LEU 130 N 2.88 3.93 0.46 2.97 1.43 -1.26 -4.92 118.68 124.17 2own s LEU 130 Ca 0.68 1.52 0.17 0.00 -1.03 0.00 0.00 54.13 55.47 2own s LEU 130 Cb -0.33 -3.53 1.15 0.00 0.03 0.00 0.00 46.19 43.50 2own s LEU 130 CO 0.28 -1.15 1.98 1.55 0.23 0.00 0.00 176.35 179.24 2own h PRO 131 N 10.05 0.27 0.00 1.29 0.13 -1.99 -1.48 132.00 140.27 2own h PRO 131 Ca -0.31 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2own h PRO 131 Cb 1.13 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2own h PRO 131 CO 1.01 0.18 -0.06 1.05 -0.23 0.00 0.00 178.00 179.94 2own h GLU 132 N 0.28 0.00 -0.00 0.86 9.09 -2.00 0.33 114.58 123.13 2own h GLU 132 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 2own h GLU 132 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 2own h GLU 132 CO -0.06 0.06 -0.41 1.28 0.05 0.00 0.00 179.01 179.93 2own n LEU 133 N -3.54 0.58 -0.03 3.06 4.77 -0.56 -4.42 117.00 116.86 2own n LEU 133 Ca -0.02 -0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 55.90 2own n LEU 133 Cb 0.18 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2own n LEU 133 CO 0.28 0.13 -0.67 1.33 -1.33 0.00 0.00 177.39 177.12 2own n VAL 134 N -1.31 0.32 -0.30 4.08 0.24 -0.97 -4.83 118.33 115.57 2own n VAL 134 Ca 0.07 -0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.31 2own n VAL 134 Cb 0.34 -0.77 0.21 0.00 -1.47 0.00 0.00 33.84 32.15 2own n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2own h ALA 135 N 0.08 0.95 -0.34 2.33 0.00 -0.57 -2.23 119.26 119.48 2own h ALA 135 Ca -0.13 0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2own h ALA 135 Cb 1.23 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2own h ALA 135 CO -0.01 -0.47 0.29 -1.35 0.00 0.00 0.00 179.25 177.70 2own h PRO 136 N 0.07 0.00 0.00 0.00 0.11 -1.83 -0.94 132.00 129.42 2own h PRO 136 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2own h PRO 136 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2own h PRO 136 CO -0.78 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.67 2own n TYR 137 N -4.13 0.08 -3.02 0.65 4.01 -0.84 -4.92 117.16 109.00 2own n TYR 137 Ca 0.05 0.03 -0.18 0.00 -0.16 0.00 0.00 57.90 57.64 2own n TYR 137 Cb 0.46 -0.54 0.04 0.00 -0.31 0.00 0.00 39.34 38.99 2own n TYR 137 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2own n GLN 138 N -1.56 -4.63 -2.27 -0.72 6.02 -0.36 -2.24 117.38 111.62 2own n GLN 138 Ca 0.05 0.69 -0.38 0.00 -0.01 0.00 0.00 57.00 57.35 2own n GLN 138 Cb 0.27 -5.16 -0.02 0.00 1.02 0.00 0.00 30.24 26.35 2own n GLN 138 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2own s SER 139 N -2.93 6.51 -0.08 1.08 0.01 -1.25 -3.68 113.70 113.37 2own s SER 139 Ca 0.31 2.38 -0.28 0.00 1.31 0.00 0.00 55.95 59.67 2own s SER 139 Cb -0.14 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2own s SER 139 CO 0.38 -0.69 0.92 -0.70 0.41 0.00 0.00 173.24 173.56 2own s GLU 140 N -2.28 4.44 0.16 12.44 2.12 -0.36 -4.87 118.70 130.36 2own s GLU 140 Ca 0.57 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 2own s GLU 140 Cb -0.31 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.50 2own s GLU 140 CO 0.40 -0.18 1.00 0.54 -0.54 0.00 0.00 175.26 176.48 2own s VAL 141 N 1.55 4.20 0.11 3.70 0.11 -1.26 -2.01 120.40 126.80 2own s VAL 141 Ca 0.46 1.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.43 2own s VAL 141 Cb -0.19 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2own s VAL 141 CO 0.20 0.34 -0.02 0.68 -3.33 0.00 0.00 175.10 172.98 2own s VAL 142 N -0.34 0.44 -0.14 2.04 -7.23 -0.30 -4.93 120.40 109.95 2own s VAL 142 Ca 0.46 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 2own s VAL 142 Cb -0.26 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 2own s VAL 142 CO 0.32 -0.73 0.10 0.11 -0.31 0.00 0.00 175.10 174.59 2own h LYS 143 N 2.93 0.00 -4.95 4.82 1.57 -1.97 -3.37 116.57 115.60 2own h LYS 143 Ca -0.35 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.77 2own h LYS 143 Cb 1.17 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.32 2own h LYS 143 CO 0.63 0.35 -0.33 0.50 -0.57 0.00 0.00 179.45 180.03 2own s ARG 144 N -2.04 3.68 0.33 3.15 3.52 -1.26 -4.86 118.95 121.46 2own s ARG 144 Ca -0.13 -0.35 -0.27 0.00 -0.13 0.00 0.00 55.73 54.85 2own s ARG 144 Cb 0.01 -3.76 -0.09 0.00 -1.56 0.00 0.00 34.95 29.55 2own s ARG 144 CO 0.29 -0.43 1.00 -1.50 -0.81 0.00 0.00 175.30 173.85 2own s ILE 145 N 1.96 3.94 0.36 4.11 1.10 -1.26 -5.00 121.20 126.41 2own s ILE 145 Ca 0.11 1.67 -0.28 0.00 -0.51 0.00 0.00 60.65 61.64 2own s ILE 145 Cb -0.16 -3.95 -0.12 0.00 0.15 0.00 0.00 42.46 38.38 2own s ILE 145 CO 0.11 0.19 1.43 -2.65 -2.11 0.00 0.00 174.94 171.91 2own n PRO 146 N 0.61 2.50 -3.15 3.50 -0.02 -1.26 -4.98 135.00 132.19 2own n PRO 146 Ca 0.02 0.88 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 2own n PRO 146 Cb 0.49 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 2own n PRO 146 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2own s ARG 147 N -1.90 4.40 -0.03 -0.52 0.52 -1.26 -5.04 118.95 115.12 2own s ARG 147 Ca 0.55 0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 56.40 2own s ARG 147 Cb -0.51 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.48 2own s ARG 147 CO 0.62 0.11 0.23 -0.51 0.02 0.00 0.00 175.30 175.78 2own s LEU 148 N 0.69 4.38 0.15 2.53 1.02 -1.26 -5.06 118.68 121.14 2own s LEU 148 Ca 0.33 0.54 -0.31 0.00 0.02 0.00 0.00 54.13 54.71 2own s LEU 148 Cb -0.17 -2.49 -0.10 0.00 0.02 0.00 0.00 46.19 43.45 2own s LEU 148 CO 0.15 0.30 1.61 -2.16 0.02 0.00 0.00 176.35 176.28 2own s PRO 149 N -1.53 4.20 0.42 1.29 0.04 -1.26 -4.96 135.00 133.20 2own s PRO 149 Ca 0.24 2.39 -0.25 0.00 0.04 0.00 0.00 61.00 63.42 2own s PRO 149 Cb -0.13 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2own s PRO 149 CO 0.13 -0.66 1.24 1.03 0.04 0.00 0.00 177.00 178.78 2own s ARG 150 N 1.53 3.93 0.81 4.56 0.52 -1.26 -4.83 118.95 124.22 2own s ARG 150 Ca 0.72 2.00 -0.10 0.00 -0.52 0.00 0.00 55.73 57.83 2own s ARG 150 Cb -0.44 -2.67 0.08 0.00 0.52 0.00 0.00 34.95 32.44 2own s ARG 150 CO 0.32 -0.47 1.10 -2.14 0.02 0.00 0.00 175.30 174.13 2own s PRO 151 N -2.34 1.97 0.23 3.54 0.02 -1.26 -4.96 135.00 132.20 2own s PRO 151 Ca 0.58 1.26 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 2own s PRO 151 Cb -0.34 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.20 2own s PRO 151 CO 0.44 -1.88 1.65 0.42 -0.33 0.00 0.00 177.00 177.30 2own s ILE 152 N -2.85 2.15 -0.22 2.83 1.01 -1.26 -4.90 121.20 117.97 2own s ILE 152 Ca 0.62 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 2own s ILE 152 Cb -0.18 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2own s ILE 152 CO 0.56 0.01 1.71 -0.55 0.00 0.00 0.00 174.94 176.67 2own s SER 153 N 0.91 6.25 0.18 3.58 0.15 -1.26 -4.80 113.70 118.72 2own s SER 153 Ca 0.70 1.66 -0.31 0.00 0.70 0.00 0.00 55.95 58.70 2own s SER 153 Cb -0.48 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.20 2own s SER 153 CO 0.38 -1.36 1.54 0.12 1.20 0.00 0.00 173.24 175.12 2own s PHE 154 N 5.61 3.05 0.01 3.44 5.36 -1.26 -5.03 117.98 129.16 2own s PHE 154 Ca 0.76 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 57.44 2own s PHE 154 Cb -0.26 -3.91 -0.01 0.00 -0.34 0.00 0.00 43.02 38.50 2own s PHE 154 CO 0.31 -3.26 -0.03 -1.21 -1.46 0.00 0.00 175.22 169.57 2own s GLU 155 N 0.82 0.25 0.48 10.12 0.41 -1.26 -5.09 118.70 124.43 2own s GLU 155 Ca 0.68 -0.34 -0.23 0.00 -0.41 0.00 0.00 54.97 54.66 2own s GLU 155 Cb -0.43 -0.08 -0.07 0.00 -1.78 0.00 0.00 34.13 31.77 2own s GLU 155 CO 0.34 0.01 1.28 0.00 -0.49 0.00 0.00 175.26 176.40 2own s ALA 156 N -0.69 3.00 0.37 5.21 0.00 -1.26 -5.00 121.76 123.38 2own s ALA 156 Ca -0.06 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.10 2own s ALA 156 Cb -0.05 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2own s ALA 156 CO -0.00 -0.98 0.11 0.95 0.00 0.00 0.00 175.76 175.84 2own s THR 157 N -1.38 0.70 -0.08 0.00 -4.23 -1.26 -5.04 115.64 104.36 2own s THR 157 Ca 0.65 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.46 2own s THR 157 Cb -0.36 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.34 2own s THR 157 CO 0.44 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.86 2own h ASP 158 N 1.92 0.00 -0.17 3.99 3.32 -2.02 -3.05 116.42 120.41 2own h ASP 158 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2own h ASP 158 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2own h ASP 158 CO 0.59 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.46 2own n THR 159 N -2.74 1.89 -1.70 0.35 -2.24 -1.26 -5.05 114.28 103.53 2own n THR 159 Ca 0.01 -1.81 -0.42 0.00 -2.27 0.00 0.00 64.05 59.55 2own n THR 159 Cb 0.24 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 2own n THR 159 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2own s THR 160 N -2.45 2.58 -0.18 4.28 2.01 -1.16 -4.73 115.64 116.00 2own s THR 160 Ca 0.33 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.22 2own s THR 160 Cb 0.26 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2own s THR 160 CO 0.07 -0.00 0.33 -0.63 -0.69 0.00 0.00 174.62 173.70 2own s ILE 161 N 2.97 5.27 -0.06 1.82 1.01 0.46 -4.94 121.20 127.73 2own s ILE 161 Ca 0.82 0.59 0.02 0.00 0.00 0.00 0.00 60.65 62.09 2own s ILE 161 Cb -0.46 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2own s ILE 161 CO 0.37 0.34 -0.11 -0.89 0.00 0.00 0.00 174.94 174.65 2own s THR 162 N 0.76 1.05 -0.01 2.92 2.01 -1.26 -0.15 115.64 120.96 2own s THR 162 Ca 0.17 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2own s THR 162 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.42 2own s THR 162 CO 0.05 0.33 0.01 -0.54 -0.69 0.00 0.00 174.62 173.79 2own s LYS 163 N 0.66 0.03 0.30 4.92 1.02 -0.47 -5.01 119.74 121.19 2own s LYS 163 Ca -0.13 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 2own s LYS 163 Cb -0.15 -0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 36.92 2own s LYS 163 CO 0.03 -0.07 0.75 -1.25 -0.92 0.00 0.00 175.35 173.90 2own s PRO 164 N 0.46 4.10 -0.02 -1.68 0.04 -1.26 -1.32 135.00 135.32 2own s PRO 164 Ca -0.04 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 61.76 2own s PRO 164 Cb -0.06 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 31.96 2own s PRO 164 CO -0.01 0.21 0.04 0.71 0.04 0.00 0.00 177.00 177.98 2own s TYR 165 N -1.87 -0.02 -0.07 0.56 2.02 -0.06 -4.95 117.35 112.96 2own s TYR 165 Ca 0.52 0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 57.25 2own s TYR 165 Cb -0.12 -0.09 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 2own s TYR 165 CO 0.18 -0.05 0.24 -1.01 -1.57 0.00 0.00 175.55 173.33 2own s HIS 166 N 0.49 3.63 -0.29 2.71 3.76 -1.26 -0.06 115.29 124.28 2own s HIS 166 Ca -0.04 0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 55.25 2own s HIS 166 Cb -0.06 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.59 2own s HIS 166 CO -0.02 0.69 1.18 0.08 -0.85 0.00 0.00 174.74 175.83 2own s VAL 167 N -1.09 4.35 0.57 -0.90 1.01 -0.43 -4.97 120.40 118.95 2own s VAL 167 Ca 0.19 1.56 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 2own s VAL 167 Cb -0.14 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2own s VAL 167 CO 0.09 -0.42 0.86 -0.13 0.00 0.00 0.00 175.10 175.50 2own s ARG 168 N 3.80 2.90 0.12 2.72 0.52 -1.26 -2.94 118.95 124.81 2own s ARG 168 Ca 0.51 -0.14 -0.20 0.00 -0.52 0.00 0.00 55.73 55.38 2own s ARG 168 Cb -0.15 -2.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.93 2own s ARG 168 CO 0.18 -0.65 1.76 0.35 0.02 0.00 0.00 175.30 176.95 2own h PHE 169 N -0.08 0.15 0.00 -0.53 3.57 -1.96 -2.47 116.94 115.61 2own h PHE 169 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2own h PHE 169 Cb 1.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2own h PHE 169 CO 0.46 0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.81 2own n PHE 170 N -5.02 0.26 0.39 0.41 3.72 -1.26 -1.78 117.46 114.17 2own n PHE 170 Ca -0.03 0.11 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 2own n PHE 170 Cb 0.06 -0.68 0.49 0.00 -0.94 0.00 0.00 39.48 38.41 2own n PHE 170 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2own h ASP 171 N 0.00 0.00 -3.58 4.37 3.32 -1.83 -3.42 116.42 115.28 2own h ASP 171 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2own h ASP 171 Cb 0.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.58 2own h ASP 171 CO 0.00 0.00 0.09 -0.63 -1.72 0.00 0.00 179.24 176.98 2own s ILE 172 N -3.36 4.91 0.77 0.35 -1.09 -0.73 -0.65 121.20 121.40 2own s ILE 172 Ca 0.05 0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 58.84 2own s ILE 172 Cb 0.09 -4.07 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 2own s ILE 172 CO 0.51 -0.33 1.08 1.51 -1.23 0.00 0.00 174.94 176.48 2own s ASP 173 N 1.82 4.29 0.56 3.58 -4.77 -0.66 -4.92 116.67 116.56 2own s ASP 173 Ca 0.23 0.21 0.44 0.00 -3.30 0.00 0.00 52.55 50.13 2own s ASP 173 Cb -0.15 -0.65 1.63 0.00 -1.09 0.00 0.00 42.92 42.66 2own s ASP 173 CO 0.15 -1.94 1.65 -0.65 0.70 0.00 0.00 175.17 175.08 2own h PRO 174 N -0.84 0.00 0.00 2.11 0.11 -1.98 -1.96 132.00 129.44 2own h PRO 174 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2own h PRO 174 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2own h PRO 174 CO 0.50 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 2own n ASN 175 N -3.98 0.00 0.00 -2.05 0.23 -1.26 -4.90 115.26 103.31 2own n ASN 175 Ca 0.36 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 2own n ASN 175 Cb 1.71 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 39.41 2own n ASN 175 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2own n ARG 176 N -0.70 -0.47 -4.51 -3.83 1.74 -0.74 -5.03 116.66 103.13 2own n ARG 176 Ca 0.08 0.12 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2own n ARG 176 Cb 0.03 -3.47 -0.10 0.00 -1.02 0.00 0.00 32.46 27.90 2own n ARG 176 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2own s HIS 177 N -1.84 2.31 0.28 -1.55 3.76 -1.26 -4.94 115.29 112.04 2own s HIS 177 Ca 0.00 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 2own s HIS 177 Cb 0.00 -1.28 -0.10 0.00 1.11 0.00 0.00 32.58 32.31 2own s HIS 177 CO 0.00 0.55 1.34 0.08 -0.85 0.00 0.00 174.74 175.86 2own s VAL 178 N -2.67 2.82 -0.36 -0.90 1.01 -1.26 -1.66 120.40 117.38 2own s VAL 178 Ca 0.32 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 2own s VAL 178 Cb 0.02 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2own s VAL 178 CO 0.15 0.15 1.30 0.21 0.00 0.00 0.00 175.10 176.92 2own s ASN 179 N -0.09 6.58 0.46 3.32 3.84 0.18 -4.83 114.94 124.40 2own s ASN 179 Ca 0.53 0.99 0.27 0.00 0.21 0.00 0.00 52.86 54.86 2own s ASN 179 Cb -0.39 -2.54 1.31 0.00 -0.55 0.00 0.00 41.25 39.08 2own s ASN 179 CO 0.47 -1.20 1.79 0.78 -2.79 0.00 0.00 177.10 176.15 2own h ASN 180 N 9.65 0.24 -0.93 -4.21 4.21 -1.92 -0.76 115.58 121.85 2own h ASN 180 Ca -0.26 0.05 0.10 0.00 1.21 0.00 0.00 56.30 57.40 2own h ASN 180 Cb 1.09 0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 38.24 2own h ASN 180 CO 1.06 0.04 0.60 0.00 -1.29 0.00 0.00 177.43 177.84 2own h ALA 181 N 1.53 1.58 0.00 -0.83 0.00 -1.90 -2.47 119.26 117.18 2own h ALA 181 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2own h ALA 181 Cb 1.85 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2own h ALA 181 CO -0.17 0.23 0.00 0.45 0.00 0.00 0.00 179.25 179.76 2own h HIS 182 N 0.95 0.00 -0.73 0.00 3.86 -1.47 -2.40 115.15 115.36 2own h HIS 182 Ca 0.43 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.72 2own h HIS 182 Cb 0.39 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.81 2own h HIS 182 CO -0.00 0.00 0.48 1.88 0.86 0.00 0.00 177.93 181.15 2own h TYR 183 N 0.00 0.76 0.00 2.45 -1.99 -1.59 -1.74 116.97 114.86 2own h TYR 183 Ca 0.00 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 2own h TYR 183 Cb 0.11 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.59 2own h TYR 183 CO 0.00 0.39 -0.15 0.74 -0.00 0.00 0.00 178.16 179.14 2own h PHE 184 N 0.74 0.00 -0.89 4.88 0.04 -1.63 -0.63 116.94 119.46 2own h PHE 184 Ca 0.32 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.12 2own h PHE 184 Cb 0.31 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 2own h PHE 184 CO -0.00 0.15 0.57 -0.44 -0.60 0.00 0.00 178.31 178.00 2own h ASP 185 N 0.00 0.96 0.01 2.17 3.32 -1.48 -1.18 116.42 120.22 2own h ASP 185 Ca -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2own h ASP 185 Cb 0.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2own h ASP 185 CO 0.02 0.66 -0.00 -0.50 -1.72 0.00 0.00 179.24 177.70 2own h TRP 186 N 1.12 -0.01 -0.06 4.55 6.55 -1.47 -2.95 115.95 123.69 2own h TRP 186 Ca 0.35 -0.00 0.04 0.00 0.95 0.00 0.00 58.89 60.23 2own h TRP 186 Cb -0.01 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.25 2own h TRP 186 CO -0.02 0.84 -0.20 -0.07 -1.05 0.00 0.00 178.44 177.94 2own h LEU 187 N -0.91 -0.61 -0.29 -4.49 3.38 -1.13 -2.16 115.31 109.10 2own h LEU 187 Ca -0.00 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2own h LEU 187 Cb 0.85 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2own h LEU 187 CO 0.00 -0.26 -0.18 0.58 0.09 0.00 0.00 178.44 178.67 2own h VAL 188 N -0.30 1.30 0.00 1.22 2.07 -1.38 -3.07 116.25 116.10 2own h VAL 188 Ca 0.08 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2own h VAL 188 Cb 0.40 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2own h VAL 188 CO -0.23 0.41 -0.04 -0.78 0.02 0.00 0.00 177.57 176.95 2own h ASP 189 N 0.37 0.00 -0.77 0.57 3.58 -1.45 -2.37 116.42 116.35 2own h ASP 189 Ca 0.06 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2own h ASP 189 Cb 0.72 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 2own h ASP 189 CO 0.05 0.04 0.51 0.74 -2.88 0.00 0.00 179.24 177.70 2own h THR 190 N 0.00 1.16 -3.90 2.25 2.02 -1.28 -3.42 112.91 109.74 2own h THR 190 Ca -0.00 -0.34 -0.49 0.00 0.77 0.00 0.00 66.41 66.35 2own h THR 190 Cb 0.22 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2own h THR 190 CO 0.01 0.18 0.41 -0.76 0.37 0.00 0.00 175.52 175.73 2own s LEU 191 N -9.86 4.31 0.55 2.58 1.43 -0.89 -4.91 118.68 111.89 2own s LEU 191 Ca -0.11 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.86 2own s LEU 191 Cb 0.18 -3.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 2own s LEU 191 CO 0.78 -0.29 1.09 -2.16 0.23 0.00 0.00 176.35 176.00 2own s PRO 192 N -2.07 3.42 0.35 1.29 0.04 -1.26 -4.86 135.00 131.90 2own s PRO 192 Ca 0.52 1.43 0.11 0.00 0.04 0.00 0.00 61.00 63.10 2own s PRO 192 Cb -0.24 -2.03 0.89 0.00 0.04 0.00 0.00 34.50 33.16 2own s PRO 192 CO 0.31 -0.76 1.79 0.00 0.04 0.00 0.00 177.00 178.38 2own h ALA 193 N 1.02 1.91 -0.68 8.56 0.00 -1.95 -1.28 119.26 126.85 2own h ALA 193 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2own h ALA 193 Cb 1.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2own h ALA 193 CO 0.57 -0.27 0.44 1.79 0.00 0.00 0.00 179.25 181.78 2own h THR 194 N 0.61 1.18 -0.10 0.00 1.35 -1.99 0.01 112.91 113.97 2own h THR 194 Ca 0.56 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 66.05 2own h THR 194 Cb 1.08 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2own h THR 194 CO -0.32 0.18 0.01 0.15 -0.25 0.00 0.00 175.52 175.29 2own h PHE 195 N 0.92 0.19 -0.37 4.73 3.04 -1.64 -3.13 116.94 120.68 2own h PHE 195 Ca 0.25 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 2own h PHE 195 Cb -0.08 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 2own h PHE 195 CO -0.02 0.39 0.07 -0.07 -2.02 0.00 0.00 178.31 176.66 2own h LEU 196 N -0.07 0.50 -0.15 0.59 3.38 -1.14 -3.06 115.31 115.36 2own h LEU 196 Ca 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2own h LEU 196 Cb 0.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2own h LEU 196 CO 0.00 0.52 -0.05 -0.07 0.09 0.00 0.00 178.44 178.93 2own h LEU 197 N 0.53 0.00 -3.20 1.67 3.38 -1.03 -3.33 115.31 113.33 2own h LEU 197 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2own h LEU 197 Cb 0.24 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2own h LEU 197 CO -0.00 0.05 -0.30 0.00 0.09 0.00 0.00 178.44 178.28 2own n GLN 198 N -3.12 1.78 -3.76 1.13 10.64 -1.17 -4.99 117.38 117.89 2own n GLN 198 Ca 0.03 -3.29 -0.12 0.00 -1.83 0.00 0.00 57.00 51.79 2own n GLN 198 Cb 0.53 -1.74 -0.11 0.00 -0.86 0.00 0.00 30.24 28.05 2own n GLN 198 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2own s HIS 199 N -3.27 -0.35 0.05 2.61 3.76 -1.17 -1.62 115.29 115.30 2own s HIS 199 Ca 0.42 0.84 0.04 0.00 -0.15 0.00 0.00 55.06 56.21 2own s HIS 199 Cb 0.39 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 34.16 2own s HIS 199 CO -0.04 -0.19 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.11 2own s ASP 200 N 0.49 4.77 0.18 1.40 1.01 -0.68 -4.85 116.67 118.99 2own s ASP 200 Ca -0.03 -0.18 -0.30 0.00 0.71 0.00 0.00 52.55 52.75 2own s ASP 200 Cb -0.04 -1.10 -0.08 0.00 1.01 0.00 0.00 42.92 42.70 2own s ASP 200 CO -0.03 0.23 1.19 -0.76 0.21 0.00 0.00 175.17 176.02 2own s LEU 201 N -1.86 4.45 -0.06 1.23 1.43 -1.26 -1.00 118.68 121.62 2own s LEU 201 Ca 0.21 2.22 -0.04 0.00 -1.03 0.00 0.00 54.13 55.49 2own s LEU 201 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2own s LEU 201 CO 0.12 -0.37 -0.10 0.52 0.23 0.00 0.00 176.35 176.75 2own n VAL 202 N 2.56 0.65 -3.77 -1.59 0.31 -0.46 -4.74 118.33 111.29 2own n VAL 202 Ca 0.04 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 2own n VAL 202 Cb 0.45 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.63 2own n VAL 202 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2own s HIS 203 N -2.18 -0.20 -0.03 3.52 5.65 -0.88 -0.21 115.29 120.95 2own s HIS 203 Ca -0.11 0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.56 2own s HIS 203 Cb 0.04 0.09 0.03 0.00 -1.18 0.00 0.00 32.58 31.56 2own s HIS 203 CO 0.14 -0.35 0.01 0.08 -0.65 0.00 0.00 174.74 173.97 2own s VAL 204 N -1.05 0.13 -0.18 0.89 1.01 -0.43 -0.26 120.40 120.50 2own s VAL 204 Ca -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2own s VAL 204 Cb -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 2own s VAL 204 CO 0.03 0.15 -0.12 -1.81 0.00 0.00 0.00 175.10 173.34 2own s ASP 205 N 1.17 3.81 -0.04 3.32 1.01 -0.20 -0.07 116.67 125.68 2own s ASP 205 Ca -0.08 -0.46 0.05 0.00 0.71 0.00 0.00 52.55 52.77 2own s ASP 205 Cb -0.13 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 2own s ASP 205 CO -0.02 0.05 -0.18 -0.69 0.21 0.00 0.00 175.17 174.53 2own s VAL 206 N 1.04 1.50 -0.11 -1.27 1.01 0.27 -1.40 120.40 121.43 2own s VAL 206 Ca -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2own s VAL 206 Cb -0.15 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2own s VAL 206 CO -0.03 0.43 -0.04 -0.60 0.00 0.00 0.00 175.10 174.86 2own s ARG 207 N -0.13 1.14 -0.25 2.72 3.52 -0.35 -1.81 118.95 123.79 2own s ARG 207 Ca -0.00 -0.19 -0.17 0.00 -0.13 0.00 0.00 55.73 55.24 2own s ARG 207 Cb -0.10 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.77 2own s ARG 207 CO 0.01 -0.33 0.49 0.71 -0.81 0.00 0.00 175.30 175.37 2own s TYR 208 N 1.80 3.28 -0.17 5.12 2.02 0.20 -1.71 117.35 127.89 2own s TYR 208 Ca 0.04 0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 57.34 2own s TYR 208 Cb -0.13 -2.68 -0.10 0.00 -0.40 0.00 0.00 41.96 38.64 2own s TYR 208 CO -0.07 -0.24 -0.17 0.39 -1.57 0.00 0.00 175.55 173.89 2own n GLU 209 N 5.38 0.40 -3.81 -0.62 1.02 0.41 -4.77 120.64 118.65 2own n GLU 209 Ca -0.05 0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 2own n GLU 209 Cb 0.50 -1.28 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 2own n GLU 209 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2own s ASN 210 N -5.87 -0.19 0.32 1.62 0.01 -0.90 -4.96 114.94 104.98 2own s ASN 210 Ca -0.23 0.34 -0.28 0.00 -0.71 0.00 0.00 52.86 51.98 2own s ASN 210 Cb 0.07 0.40 -0.10 0.00 0.41 0.00 0.00 41.25 42.03 2own s ASN 210 CO 0.36 -0.12 1.18 -0.70 -1.51 0.00 0.00 177.10 176.31 2own s GLU 211 N -0.11 4.41 -0.14 -0.60 2.12 -1.26 -4.55 118.70 118.58 2own s GLU 211 Ca -0.02 1.94 -0.06 0.00 0.36 0.00 0.00 54.97 57.18 2own s GLU 211 Cb -0.02 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2own s GLU 211 CO 0.01 -0.04 0.09 0.08 -0.54 0.00 0.00 175.26 174.85 2own s VAL 212 N -1.22 5.03 0.27 3.70 1.01 -1.26 -5.04 120.40 122.90 2own s VAL 212 Ca 0.49 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.60 2own s VAL 212 Cb -0.34 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2own s VAL 212 CO 0.44 0.56 -0.02 -0.54 0.00 0.00 0.00 175.10 175.54 2own s LYS 213 N -0.48 2.23 0.26 2.72 1.02 -1.26 -4.50 119.74 119.73 2own s LYS 213 Ca 0.11 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.32 2own s LYS 213 Cb -0.12 -2.11 -0.13 0.00 -0.52 0.00 0.00 37.83 34.95 2own s LYS 213 CO 0.02 0.34 1.35 0.98 -0.92 0.00 0.00 175.35 177.12 2own n TYR 214 N -0.88 2.12 0.00 3.18 9.36 -1.26 -2.50 117.16 127.18 2own n TYR 214 Ca -0.06 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.64 2own n TYR 214 Cb 0.59 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 2own n TYR 214 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2own n GLY 215 N 1.78 2.75 3.79 2.98 0.00 -1.15 -5.02 105.19 110.32 2own n GLY 215 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2own n GLY 215 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2own s GLN 216 N -0.21 3.12 -0.24 1.61 -0.21 -1.04 -4.74 119.66 117.95 2own s GLN 216 Ca 0.00 1.24 -0.08 0.00 0.02 0.00 0.00 55.36 56.54 2own s GLN 216 Cb 0.00 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2own s GLN 216 CO 0.00 -0.97 0.08 0.99 -2.12 0.00 0.00 175.29 173.27 2own s THR 217 N -2.47 4.48 0.04 -0.19 2.01 -1.26 -1.31 115.64 116.93 2own s THR 217 Ca 0.64 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 2own s THR 217 Cb -0.17 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2own s THR 217 CO 0.40 0.34 0.21 0.68 -0.69 0.00 0.00 174.62 175.56 2own s VAL 218 N 1.49 5.39 -0.24 3.82 -7.23 0.91 -4.65 120.40 119.88 2own s VAL 218 Ca 0.06 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.93 2own s VAL 218 Cb -0.15 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2own s VAL 218 CO 0.04 0.21 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.11 2own s THR 219 N -1.45 3.20 -0.22 5.32 2.01 0.20 -0.88 115.64 123.82 2own s THR 219 Ca 0.32 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 2own s THR 219 Cb -0.13 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 2own s THR 219 CO 0.24 0.30 0.22 0.00 -0.69 0.00 0.00 174.62 174.70 2own s ALA 220 N 1.42 3.60 0.05 7.40 0.00 -0.43 -1.62 121.76 132.18 2own s ALA 220 Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2own s ALA 220 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2own s ALA 220 CO -0.04 -0.19 -0.13 -1.01 0.00 0.00 0.00 175.76 174.39 2own s HIS 221 N 1.06 2.68 -0.14 0.00 3.76 0.93 -1.37 115.29 122.20 2own s HIS 221 Ca 0.11 -0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 54.75 2own s HIS 221 Cb -0.14 -1.49 0.05 0.00 1.11 0.00 0.00 32.58 32.11 2own s HIS 221 CO 0.05 0.33 0.34 0.00 -0.85 0.00 0.00 174.74 174.61 2own s ALA 222 N -1.02 -0.84 -0.17 -1.40 0.00 0.79 -1.65 121.76 117.48 2own s ALA 222 Ca 0.17 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2own s ALA 222 Cb -0.11 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2own s ALA 222 CO 0.08 -0.21 -0.19 -0.80 0.00 0.00 0.00 175.76 174.64 2own s ASN 223 N 0.91 3.26 -0.43 0.00 0.01 -0.19 -0.41 114.94 118.10 2own s ASN 223 Ca -0.06 -0.59 -0.22 0.00 -0.71 0.00 0.00 52.86 51.28 2own s ASN 223 Cb -0.07 -1.49 0.02 0.00 0.41 0.00 0.00 41.25 40.12 2own s ASN 223 CO -0.07 0.04 0.71 -0.63 -1.51 0.00 0.00 177.10 175.64 2own s ILE 224 N 1.07 4.75 0.16 0.60 1.01 -1.26 -1.19 121.20 126.34 2own s ILE 224 Ca -0.01 0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.05 2own s ILE 224 Cb -0.14 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2own s ILE 224 CO -0.07 -0.62 -0.03 -0.76 0.00 0.00 0.00 174.94 173.46 2own s LEU 225 N 3.03 3.22 0.79 2.97 1.43 0.11 -5.01 118.68 125.22 2own s LEU 225 Ca 0.26 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2own s LEU 225 Cb -0.13 -1.91 0.07 0.00 0.03 0.00 0.00 46.19 44.25 2own s LEU 225 CO 0.20 0.11 1.09 -2.84 0.23 0.00 0.00 176.35 175.14 2own s PRO 226 N -2.77 2.12 0.04 1.29 0.02 -1.26 -2.37 135.00 132.06 2own s PRO 226 Ca 0.26 0.89 0.04 0.00 0.02 0.00 0.00 61.00 62.20 2own s PRO 226 Cb -0.10 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 2own s PRO 226 CO 0.17 -1.66 -0.11 0.45 -0.33 0.00 0.00 177.00 175.52 2own s SER 227 N -3.64 1.25 0.39 2.53 0.15 -1.26 -4.60 113.70 108.53 2own s SER 227 Ca 0.61 -0.46 0.20 0.00 0.70 0.00 0.00 55.95 56.99 2own s SER 227 Cb -0.16 -0.05 0.72 0.00 -1.71 0.00 0.00 66.02 64.82 2own s SER 227 CO 0.55 -0.06 1.75 1.05 1.20 0.00 0.00 173.24 177.74 2own h GLU 228 N 4.84 0.00 -6.56 5.44 9.09 -1.98 -3.44 114.58 121.96 2own h GLU 228 Ca -0.36 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.52 2own h GLU 228 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2own h GLU 228 CO 0.43 0.35 0.46 0.08 0.05 0.00 0.00 179.01 180.38 2own s VAL 229 N -3.62 4.18 0.42 -1.06 1.01 -1.26 -5.03 120.40 115.04 2own s VAL 229 Ca 0.00 1.73 -0.25 0.00 0.00 0.00 0.00 61.98 63.47 2own s VAL 229 Cb 0.11 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2own s VAL 229 CO 0.68 0.23 1.18 0.00 0.00 0.00 0.00 175.10 177.18 2own s ALA 230 N 0.30 3.11 -1.85 5.51 0.00 -1.26 -3.22 121.76 124.36 2own s ALA 230 Ca 0.52 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2own s ALA 230 Cb -0.27 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2own s ALA 230 CO 0.32 -0.58 0.00 -3.47 0.00 0.00 0.00 175.76 172.03 2own n ASP 231 N -0.08 -5.25 -4.26 0.00 -0.08 -1.26 -4.99 116.55 100.64 2own n ASP 231 Ca 0.05 0.43 -0.17 0.00 -1.51 0.00 0.00 54.79 53.59 2own n ASP 231 Cb 0.47 -4.28 -0.11 0.00 2.34 0.00 0.00 41.12 39.54 2own n ASP 231 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2own s GLN 232 N -3.46 1.08 0.02 -0.67 -0.21 -1.20 -0.16 119.66 115.06 2own s GLN 232 Ca 0.00 -1.33 -0.02 0.00 0.02 0.00 0.00 55.36 54.03 2own s GLN 232 Cb 0.00 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 33.10 2own s GLN 232 CO 0.00 0.16 0.02 0.54 -2.12 0.00 0.00 175.29 173.89 2own s VAL 233 N -2.47 0.11 -0.08 1.09 0.11 -0.74 -4.36 120.40 114.06 2own s VAL 233 Ca 0.12 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 2own s VAL 233 Cb -0.03 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2own s VAL 233 CO 0.03 -0.52 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.22 2own s THR 234 N -1.71 2.70 -0.11 5.04 2.01 -1.00 -0.80 115.64 121.78 2own s THR 234 Ca -0.13 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.06 2own s THR 234 Cb -0.08 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2own s THR 234 CO -0.01 0.56 -0.17 0.42 -0.69 0.00 0.00 174.62 174.73 2own s THR 235 N -0.14 2.69 -0.17 -0.82 -4.23 -0.24 0.07 115.64 112.80 2own s THR 235 Ca -0.02 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2own s THR 235 Cb -0.14 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 2own s THR 235 CO 0.04 0.54 -0.06 -0.55 -0.54 0.00 0.00 174.62 174.05 2own s SER 236 N 0.19 4.45 0.11 3.99 0.15 -0.34 -0.85 113.70 121.40 2own s SER 236 Ca -0.10 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.36 2own s SER 236 Cb -0.16 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 2own s SER 236 CO 0.06 0.10 -0.19 -1.00 1.20 0.00 0.00 173.24 173.40 2own s HIS 237 N 0.77 1.71 -0.02 3.44 3.76 0.15 -1.02 115.29 124.08 2own s HIS 237 Ca -0.02 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2own s HIS 237 Cb -0.15 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.64 2own s HIS 237 CO 0.02 0.20 0.00 -1.17 -0.85 0.00 0.00 174.74 172.95 2own s LEU 238 N -2.02 1.30 -0.19 0.89 2.96 -0.66 -1.59 118.68 119.37 2own s LEU 238 Ca 0.07 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2own s LEU 238 Cb -0.09 -0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 2own s LEU 238 CO 0.04 -0.08 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.31 2own s ILE 239 N 0.83 3.50 0.03 6.68 -1.09 0.32 -0.05 121.20 131.42 2own s ILE 239 Ca -0.08 -0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 57.84 2own s ILE 239 Cb -0.11 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.19 2own s ILE 239 CO -0.02 0.45 0.03 -1.83 -1.23 0.00 0.00 174.94 172.35 2own s GLU 240 N 1.00 0.51 -0.15 2.79 4.04 -0.64 -1.00 118.70 125.25 2own s GLU 240 Ca 0.00 -0.80 -0.01 0.00 0.04 0.00 0.00 54.97 54.20 2own s GLU 240 Cb -0.15 0.19 0.04 0.00 0.02 0.00 0.00 34.13 34.23 2own s GLU 240 CO 0.00 -0.11 -0.05 0.08 -1.84 0.00 0.00 175.26 173.35 2own s VAL 241 N -2.52 1.01 -1.41 1.83 1.01 -0.97 -0.63 120.40 118.72 2own s VAL 241 Ca -0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2own s VAL 241 Cb -0.02 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2own s VAL 241 CO -0.05 0.17 1.00 0.47 0.00 0.00 0.00 175.10 176.69 2own n ASP 242 N 4.92 -4.35 -0.12 3.32 8.00 -1.26 -2.08 116.55 124.98 2own n ASP 242 Ca -0.11 -0.70 -0.02 0.00 0.71 0.00 0.00 54.79 54.67 2own n ASP 242 Cb 0.48 -4.38 -0.01 0.00 -0.02 0.00 0.00 41.12 37.20 2own n ASP 242 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2own n ASP 243 N -2.96 -5.10 -4.64 -2.24 8.00 -1.26 -4.99 116.55 103.36 2own n ASP 243 Ca -0.06 0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.09 2own n ASP 243 Cb 0.58 -2.73 -0.08 0.00 -0.02 0.00 0.00 41.12 38.86 2own n ASP 243 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2own s GLU 244 N -1.61 4.09 -0.03 -1.24 2.12 -0.88 -5.04 118.70 116.11 2own s GLU 244 Ca 0.00 0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.15 2own s GLU 244 Cb 0.00 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2own s GLU 244 CO 0.00 -0.16 1.52 0.15 -0.54 0.00 0.00 175.26 176.23 2own s LYS 245 N 1.69 4.22 -0.22 4.30 1.02 -1.26 -2.30 119.74 127.19 2own s LYS 245 Ca 0.17 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.25 2own s LYS 245 Cb -0.15 -3.77 -0.15 0.00 -0.52 0.00 0.00 37.83 33.24 2own s LYS 245 CO 0.09 -0.72 -0.18 0.00 -0.92 0.00 0.00 175.35 173.62 2own s GLU 248 N 1.20 3.12 -0.01 0.00 2.02 -0.69 -0.52 118.70 123.81 2own s GLU 248 Ca -0.07 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.13 2own s GLU 248 Cb -0.06 -2.40 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 2own s GLU 248 CO -0.12 0.21 -0.08 0.08 0.02 0.00 0.00 175.26 175.38 2own s VAL 249 N 0.29 0.64 -0.11 2.63 1.01 -0.62 -1.22 120.40 123.02 2own s VAL 249 Ca -0.15 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2own s VAL 249 Cb -0.17 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2own s VAL 249 CO 0.07 0.19 -0.17 -0.89 0.00 0.00 0.00 175.10 174.31 2own s THR 250 N -0.01 1.60 -0.08 3.92 2.01 -0.50 0.30 115.64 122.89 2own s THR 250 Ca 0.00 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.34 2own s THR 250 Cb -0.05 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 2own s THR 250 CO -0.00 0.46 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.52 2own s ILE 251 N 0.91 2.01 -0.25 1.82 1.01 -0.03 -1.03 121.20 125.64 2own s ILE 251 Ca -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 2own s ILE 251 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2own s ILE 251 CO -0.01 0.55 0.12 -1.10 0.00 0.00 0.00 174.94 174.50 2own s GLN 252 N 0.15 3.86 0.24 2.79 -1.52 0.64 -1.08 119.66 124.74 2own s GLN 252 Ca -0.12 -0.37 0.11 0.00 -1.95 0.00 0.00 55.36 53.02 2own s GLN 252 Cb -0.16 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.14 2own s GLN 252 CO 0.07 -0.08 -0.14 -1.58 -0.25 0.00 0.00 175.29 173.31 2own s TRP 253 N 1.38 2.46 -0.14 0.91 0.52 0.02 -1.35 118.94 122.75 2own s TRP 253 Ca 0.06 -0.29 -0.00 0.00 0.02 0.00 0.00 56.10 55.89 2own s TRP 253 Cb -0.15 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2own s TRP 253 CO 0.06 0.61 -0.13 -0.98 0.02 0.00 0.00 176.95 176.52 2own s ARG 254 N -3.26 3.33 -0.07 4.98 1.70 -0.17 -1.79 118.95 123.68 2own s ARG 254 Ca 0.28 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.53 2own s ARG 254 Cb -0.07 -2.64 -0.03 0.00 -0.57 0.00 0.00 34.95 31.65 2own s ARG 254 CO 0.15 0.14 1.14 0.99 -1.08 0.00 0.00 175.30 176.65 2own s THR 255 N 0.52 4.40 0.49 4.99 2.01 0.78 -1.69 115.64 127.14 2own s THR 255 Ca -0.09 1.71 -0.17 0.00 0.31 0.00 0.00 61.69 63.45 2own s THR 255 Cb -0.16 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 2own s THR 255 CO 0.04 0.00 0.96 -0.76 -0.69 0.00 0.00 174.62 174.17 2own s LEU 256 N 2.14 3.72 -0.01 4.42 1.43 -0.64 -4.93 118.68 124.81 2own s LEU 256 Ca 0.54 1.57 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 2own s LEU 256 Cb -0.23 -4.49 -0.19 0.00 0.03 0.00 0.00 46.19 41.32 2own s LEU 256 CO 0.21 -0.52 1.24 1.55 0.23 0.00 0.00 176.35 179.06 2own h PRO 257 N 1.19 0.13 0.00 1.29 0.13 -1.96 -3.47 132.00 129.31 2own h PRO 257 Ca -0.47 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2own h PRO 257 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2own h PRO 257 CO 0.62 0.64 0.00 -1.91 -0.23 0.00 0.00 178.00 177.12