#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 3.46 0.00 1.09 2.96 -1.26 -3.43 118.68 121.50 2own s LEU 4 Ca 0.00 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2own s LEU 4 Cb 0.00 -3.20 0.00 0.00 0.50 0.00 0.00 46.19 43.49 2own s LEU 4 CO 0.00 -1.74 0.00 0.61 -1.32 0.00 0.00 176.35 173.90 2own n GLY 5 N 5.32 0.86 0.30 7.98 0.00 -1.26 -4.85 105.19 113.55 2own n GLY 5 Ca 0.17 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 0.96 0.00 4.61 0.00 -1.85 -2.82 119.26 120.16 2own h ALA 6 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2own h ALA 6 Cb 0.77 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2own h ALA 6 CO 0.00 0.46 0.00 0.09 0.00 0.00 0.00 179.25 179.80 2own n ASN 7 N -4.47 0.00 -4.77 0.00 4.13 -1.26 -4.91 115.26 103.98 2own n ASN 7 Ca 0.07 0.13 -0.39 0.00 1.68 0.00 0.00 54.58 56.07 2own n ASN 7 Cb 0.08 -0.38 -0.02 0.00 -1.54 0.00 0.00 39.78 37.92 2own n ASN 7 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2own s ALA 8 N -2.75 3.30 0.29 5.41 0.00 -1.07 -4.93 121.76 122.02 2own s ALA 8 Ca 0.22 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 2own s ALA 8 Cb 0.19 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 2own s ALA 8 CO 0.48 -0.56 1.40 -1.12 0.00 0.00 0.00 175.76 175.95 2own s SER 9 N -0.85 6.66 -0.31 0.00 0.01 -0.96 -4.97 113.70 113.28 2own s SER 9 Ca 0.53 2.72 -0.09 0.00 1.31 0.00 0.00 55.95 60.43 2own s SER 9 Cb -0.35 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2own s SER 9 CO 0.45 -0.66 0.13 -0.22 0.41 0.00 0.00 173.24 173.35 2own s LEU 10 N -1.11 4.10 -0.15 2.44 2.96 -1.26 -4.32 118.68 121.33 2own s LEU 10 Ca 0.55 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2own s LEU 10 Cb -0.42 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 2own s LEU 10 CO 0.49 -0.22 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.80 2own s TYR 11 N 1.57 3.03 0.08 5.38 5.04 -0.49 -4.96 117.35 127.01 2own s TYR 11 Ca 0.04 -0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.42 2own s TYR 11 Cb -0.17 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.15 2own s TYR 11 CO 0.05 -0.01 -0.08 -1.54 -1.34 0.00 0.00 175.55 172.63 2own s SER 12 N 0.29 1.17 0.08 4.32 1.04 -1.26 -0.02 113.70 119.33 2own s SER 12 Ca -0.03 -0.83 -0.17 0.00 0.48 0.00 0.00 55.95 55.40 2own s SER 12 Cb -0.14 0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.07 2own s SER 12 CO 0.03 -0.33 0.40 -1.83 0.98 0.00 0.00 173.24 172.49 2own s GLU 13 N -2.92 0.99 0.10 4.02 -1.05 -0.91 -5.00 118.70 113.93 2own s GLU 13 Ca 0.04 -0.52 -0.08 0.00 -0.15 0.00 0.00 54.97 54.26 2own s GLU 13 Cb -0.01 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 34.06 2own s GLU 13 CO -0.02 -0.36 0.39 -0.65 0.95 0.00 0.00 175.26 175.57 2own s GLN 14 N -3.08 3.69 -0.06 -4.83 -0.21 -1.26 -0.47 119.66 113.44 2own s GLN 14 Ca -0.01 0.06 -0.03 0.00 0.02 0.00 0.00 55.36 55.40 2own s GLN 14 Cb 0.00 -2.93 0.04 0.00 1.00 0.00 0.00 33.01 31.12 2own s GLN 14 CO -0.07 0.52 0.14 -1.58 -2.12 0.00 0.00 175.29 172.18 2own s HIS 15 N -1.51 -0.15 -0.24 0.91 2.46 0.10 -4.95 115.29 111.91 2own s HIS 15 Ca 0.36 0.46 -0.20 0.00 0.47 0.00 0.00 55.06 56.15 2own s HIS 15 Cb -0.13 -0.10 -0.02 0.00 -0.13 0.00 0.00 32.58 32.20 2own s HIS 15 CO 0.20 -0.17 0.62 0.50 -2.47 0.00 0.00 174.74 173.43 2own s ARG 16 N 1.20 4.13 -0.22 2.88 3.00 -1.26 -0.67 118.95 128.01 2own s ARG 16 Ca -0.09 0.55 -0.29 0.00 -1.00 0.00 0.00 55.73 54.90 2own s ARG 16 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 34.95 31.20 2own s ARG 16 CO -0.06 -0.38 1.15 0.42 0.00 0.00 0.00 175.30 176.43 2own s ILE 17 N 2.39 4.47 0.44 4.11 -1.09 -0.41 -4.97 121.20 126.14 2own s ILE 17 Ca 0.26 1.77 -0.02 0.00 -2.23 0.00 0.00 60.65 60.43 2own s ILE 17 Cb -0.16 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 2own s ILE 17 CO 0.09 -0.21 0.69 0.42 -1.23 0.00 0.00 174.94 174.70 2own s THR 18 N 3.44 4.73 0.29 2.92 -4.23 -1.26 0.09 115.64 121.62 2own s THR 18 Ca 0.49 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2own s THR 18 Cb -0.17 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.18 2own s THR 18 CO 0.11 -0.63 1.89 0.10 -0.54 0.00 0.00 174.62 175.55 2own h TYR 19 N 0.41 1.10 0.00 3.99 -0.00 -1.95 -2.25 116.97 118.27 2own h TYR 19 Ca -0.48 0.03 0.00 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 37.59 2own h TYR 19 CO 0.53 0.55 0.00 0.10 -0.00 0.00 0.00 178.16 179.33 2own h TYR 20 N 1.06 0.00 -0.01 0.10 -0.00 -1.97 -2.19 116.97 113.96 2own h TYR 20 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.15 2own h TYR 20 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.98 2own h TYR 20 CO -0.00 0.00 -0.14 0.39 -0.00 0.00 0.00 178.16 178.40 2own n GLU 21 N -2.67 0.88 -4.11 0.10 1.02 -0.85 -4.93 120.64 110.07 2own n GLU 21 Ca 0.02 -0.41 -0.23 0.00 -0.02 0.00 0.00 57.16 56.53 2own n GLU 21 Cb 0.31 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.12 0.18 0.29 0.00 5.68 -0.45 -4.85 116.55 116.28 2own n ASP 23 Ca -0.04 -1.17 0.19 0.00 -0.50 0.00 0.00 54.79 53.27 2own n ASP 23 Cb 0.60 -0.12 0.94 0.00 -1.14 0.00 0.00 41.12 41.40 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 -0.05 0.11 0.11 -1.95 -2.85 114.38 109.74 2own h ARG 24 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2own h ARG 24 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2own h ARG 24 CO 0.06 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.38 2own n THR 25 N -2.96 0.06 -1.62 0.08 -2.24 -1.26 -4.93 114.28 101.41 2own n THR 25 Ca -0.01 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2own n THR 25 Cb 0.16 0.01 -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 1.00 0.49 3.20 3.38 0.00 -1.08 -5.02 105.19 107.16 2own n GLY 26 Ca 0.17 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.34 1.07 0.36 1.61 0.52 -1.26 -0.78 118.95 117.13 2own s ARG 27 Ca 0.00 -0.90 -0.28 0.00 -0.52 0.00 0.00 55.73 54.03 2own s ARG 27 Cb 0.00 -1.15 -0.12 0.00 0.52 0.00 0.00 34.95 34.20 2own s ARG 27 CO 0.00 0.28 1.41 0.00 0.02 0.00 0.00 175.30 177.01 2own n ALA 28 N 1.66 1.93 -1.93 2.13 0.00 0.12 -1.34 120.51 123.07 2own n ALA 28 Ca -0.18 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 2own n ALA 28 Cb 0.54 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.70 2own n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2own s THR 29 N -1.10 2.99 0.31 0.00 -4.23 -1.04 -4.78 115.64 107.79 2own s THR 29 Ca 0.54 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 61.24 2own s THR 29 Cb -0.51 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.21 2own s THR 29 CO 0.63 -0.36 1.87 -0.07 -0.54 0.00 0.00 174.62 176.15 2own h LEU 30 N -0.66 0.67 -0.14 4.79 3.38 -1.93 -1.46 115.31 119.95 2own h LEU 30 Ca -0.45 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.45 2own h LEU 30 Cb 1.28 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2own h LEU 30 CO 0.63 0.65 -0.09 0.74 0.09 0.00 0.00 178.44 180.47 2own h THR 31 N 0.71 0.73 -0.76 0.22 2.02 -1.90 -1.79 112.91 112.14 2own h THR 31 Ca 0.16 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 2own h THR 31 Cb 0.24 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2own h THR 31 CO -0.01 0.00 0.47 0.74 0.37 0.00 0.00 175.52 177.10 2own h THR 32 N -0.09 1.21 -0.15 3.16 2.02 -1.75 0.10 112.91 117.42 2own h THR 32 Ca 0.08 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.84 2own h THR 32 Cb 0.21 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2own h THR 32 CO -0.20 0.22 0.02 0.25 0.37 0.00 0.00 175.52 176.18 2own h LEU 33 N 1.04 -0.00 -0.43 2.58 5.85 -0.95 -0.56 115.31 122.83 2own h LEU 33 Ca 0.28 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2own h LEU 33 Cb -0.06 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2own h LEU 33 CO -0.05 0.02 -0.16 0.40 -0.34 0.00 0.00 178.44 178.30 2own h ILE 34 N 0.08 1.28 -0.38 4.05 1.08 -1.23 -2.48 117.51 119.91 2own h ILE 34 Ca 0.07 -1.30 0.08 0.00 -0.39 0.00 0.00 64.86 63.32 2own h ILE 34 Cb 0.06 1.21 -0.08 0.00 -3.07 0.00 0.00 36.82 34.95 2own h ILE 34 CO -0.09 0.44 -0.11 0.44 -0.69 0.00 0.00 178.15 178.13 2own h ASP 35 N 0.69 -0.41 0.48 1.72 3.32 -0.58 -0.85 116.42 120.80 2own h ASP 35 Ca 0.10 0.12 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 2own h ASP 35 Cb 0.72 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2own h ASP 35 CO 0.05 -0.15 -0.68 0.16 -1.72 0.00 0.00 179.24 176.90 2own h ILE 36 N -0.03 1.43 -0.01 0.35 3.07 -1.14 -0.89 117.51 120.30 2own h ILE 36 Ca 0.19 -2.20 -0.00 0.00 1.55 0.00 0.00 64.86 64.40 2own h ILE 36 Cb 0.31 2.16 -0.00 0.00 -0.27 0.00 0.00 36.82 39.02 2own h ILE 36 CO -0.41 0.64 0.00 0.00 -1.05 0.00 0.00 178.15 177.34 2own h ALA 37 N 1.17 0.01 -0.35 0.16 0.00 -1.18 -2.29 119.26 116.79 2own h ALA 37 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2own h ALA 37 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2own h ALA 37 CO 0.10 -0.39 -0.05 0.28 0.00 0.00 0.00 179.25 179.20 2own h VAL 38 N -0.18 1.22 -0.40 0.00 2.07 -1.16 -2.21 116.25 115.58 2own h VAL 38 Ca 0.00 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2own h VAL 38 Cb 0.20 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2own h VAL 38 CO -0.00 0.31 0.25 0.25 0.02 0.00 0.00 177.57 178.40 2own h LEU 39 N 0.53 0.43 -0.89 2.57 5.85 -1.09 0.57 115.31 123.28 2own h LEU 39 Ca 0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2own h LEU 39 Cb 0.42 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2own h LEU 39 CO 0.02 0.31 0.40 0.00 -0.34 0.00 0.00 178.44 178.83 2own h ALA 40 N 1.16 1.13 -0.23 1.25 0.00 -1.15 -2.30 119.26 119.13 2own h ALA 40 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2own h ALA 40 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2own h ALA 40 CO -0.05 0.66 -0.05 1.03 0.00 0.00 0.00 179.25 180.84 2own h SER 41 N 1.19 0.44 -0.41 0.00 0.87 -1.08 -1.90 113.55 112.67 2own h SER 41 Ca 0.29 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 2own h SER 41 Cb 0.12 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2own h SER 41 CO -0.04 0.70 0.05 -0.33 -0.53 0.00 0.00 176.83 176.69 2own h GLU 42 N 0.17 0.77 -0.15 2.24 5.08 -0.86 -1.90 114.58 119.93 2own h GLU 42 Ca 0.06 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 2own h GLU 42 Cb 0.51 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2own h GLU 42 CO 0.02 0.74 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.77 2own h ASP 43 N 0.73 0.51 -0.04 1.42 3.32 -1.40 0.12 116.42 121.08 2own h ASP 43 Ca 0.15 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2own h ASP 43 Cb 0.37 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2own h ASP 43 CO 0.01 0.96 0.01 -0.61 -1.72 0.00 0.00 179.24 177.90 2own h GLN 44 N 0.34 0.05 -0.87 3.56 4.15 -1.24 -1.90 115.11 119.21 2own h GLN 44 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2own h GLN 44 Cb 1.09 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 2own h GLN 44 CO 0.10 0.22 0.52 0.77 -1.93 0.00 0.00 178.83 178.52 2own h SER 45 N -0.13 1.04 -0.33 -0.69 0.02 -1.25 -2.35 113.55 109.87 2own h SER 45 Ca 0.01 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2own h SER 45 Cb 0.19 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2own h SER 45 CO -0.00 0.80 -0.03 0.44 -1.14 0.00 0.00 176.83 176.90 2own h ASP 46 N 1.19 0.59 -0.75 3.07 3.32 -0.75 0.39 116.42 123.48 2own h ASP 46 Ca 0.31 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2own h ASP 46 Cb -0.05 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 2own h ASP 46 CO -0.06 0.79 0.50 0.00 -1.72 0.00 0.00 179.24 178.74 2own h ALA 47 N 0.83 1.54 -0.00 3.45 0.00 -1.16 -2.32 119.26 121.60 2own h ALA 47 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2own h ALA 47 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2own h ALA 47 CO 0.02 0.40 -0.05 1.28 0.00 0.00 0.00 179.25 180.90 2own n LEU 48 N -4.45 0.30 0.00 0.00 4.77 -0.90 -4.94 117.00 111.78 2own n LEU 48 Ca 0.09 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2own n LEU 48 Cb 0.10 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2own n LEU 48 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2own n GLY 49 N 1.22 1.04 2.62 -0.72 0.00 -0.87 -5.01 105.19 103.47 2own n GLY 49 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 7.24 -4.84 0.99 4.77 0.14 -4.92 117.00 120.38 2own n LEU 50 Ca 0.00 -4.10 -0.29 0.00 -0.03 0.00 0.00 56.01 51.58 2own n LEU 50 Cb 0.00 -1.58 0.11 0.00 -2.33 0.00 0.00 43.42 39.61 2own n LEU 50 CO 0.00 1.31 0.75 0.42 -1.33 0.00 0.00 177.39 178.53 2own s THR 51 N 2.99 2.21 0.43 -5.08 -4.23 -1.26 -4.06 115.64 106.64 2own s THR 51 Ca 0.54 0.07 0.14 0.00 -1.18 0.00 0.00 61.69 61.26 2own s THR 51 Cb 0.15 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 71.22 2own s THR 51 CO -0.07 -0.09 1.95 0.71 -0.54 0.00 0.00 174.62 176.58 2own h THR 52 N -1.23 1.16 0.00 3.99 1.35 -1.96 -2.64 112.91 113.58 2own h THR 52 Ca -0.48 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2own h THR 52 Cb 1.32 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2own h THR 52 CO 0.63 0.23 0.00 -0.62 -0.25 0.00 0.00 175.52 175.51 2own n GLU 53 N -4.25 0.50 0.00 4.72 4.71 -1.26 -2.33 120.64 122.74 2own n GLU 53 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2own n GLU 53 Cb 0.29 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 2own n GLU 53 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2own n VAL 55 N -0.00 0.00 0.28 2.62 0.31 -1.00 -1.09 118.33 119.45 2own n VAL 55 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 2own n VAL 55 Cb 0.08 0.00 0.79 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.00 0.00 5.55 4.20 -1.48 -2.87 115.11 120.51 2own h GLN 56 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2own h GLN 56 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2own h GLN 56 CO 0.00 0.07 -0.27 0.66 -0.67 0.00 0.00 178.83 178.61 2own h SER 57 N 0.00 0.00 -0.09 1.46 4.64 -1.38 -2.77 113.55 115.41 2own h SER 57 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2own h SER 57 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2own h SER 57 CO 0.01 0.27 0.00 1.41 -0.87 0.00 0.00 176.83 177.65 2own n HIS 58 N -4.00 0.12 -2.51 4.77 8.25 -1.08 -4.92 115.22 115.84 2own n HIS 58 Ca -0.02 -0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 2own n HIS 58 Cb 0.34 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 0.69 -0.14 3.35 -1.41 0.00 -1.05 -5.02 105.19 101.61 2own n GLY 59 Ca 0.05 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.82 0.07 -0.15 1.61 -7.23 -1.25 -2.58 120.40 108.04 2own s VAL 60 Ca 0.10 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 58.80 2own s VAL 60 Cb -0.05 -1.70 0.06 0.00 0.56 0.00 0.00 36.38 35.26 2own s VAL 60 CO 0.13 -0.31 0.65 -0.83 -0.31 0.00 0.00 175.10 174.43 2own s GLY 61 N -2.93 -0.51 0.14 2.32 0.00 -1.26 -3.40 107.32 101.68 2own s GLY 61 Ca 0.14 1.55 -0.30 0.00 0.00 0.00 0.00 44.72 46.10 2own s GLY 61 CO -0.02 1.25 1.21 -0.98 0.00 0.00 0.00 173.10 174.55 2own s TRP 62 N -0.39 3.43 -0.16 1.90 0.52 -1.26 -4.80 118.94 118.17 2own s TRP 62 Ca -0.05 1.36 -0.02 0.00 0.02 0.00 0.00 56.10 57.41 2own s TRP 62 Cb -0.03 -3.44 0.05 0.00 -1.15 0.00 0.00 33.47 28.90 2own s TRP 62 CO 0.05 -1.28 -0.01 0.08 0.02 0.00 0.00 176.95 175.82 2own s VAL 63 N 0.40 0.73 -0.01 4.03 1.01 -0.07 -4.98 120.40 121.50 2own s VAL 63 Ca 0.55 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2own s VAL 63 Cb -0.32 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2own s VAL 63 CO 0.33 0.01 1.29 0.54 0.00 0.00 0.00 175.10 177.28 2own s VAL 64 N 1.79 3.97 -0.21 2.92 0.11 -1.26 -1.21 120.40 126.51 2own s VAL 64 Ca 0.01 1.34 0.13 0.00 -2.93 0.00 0.00 61.98 60.53 2own s VAL 64 Cb -0.15 -3.86 -0.23 0.00 -1.53 0.00 0.00 36.38 30.61 2own s VAL 64 CO -0.07 0.02 0.02 0.35 -3.33 0.00 0.00 175.10 172.09 2own n THR 65 N 4.51 1.44 -3.97 5.04 -2.24 -0.33 -4.77 114.28 113.96 2own n THR 65 Ca 0.12 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 61.04 2own n THR 65 Cb 0.45 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.51 0.35 -0.01 -0.78 -0.21 -1.11 -1.00 119.66 114.40 2own s GLN 66 Ca -0.17 -0.61 -0.00 0.00 0.02 0.00 0.00 55.36 54.59 2own s GLN 66 Cb 0.07 0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.21 2own s GLN 66 CO 0.76 -0.06 0.02 0.71 -2.12 0.00 0.00 175.29 174.60 2own s TYR 67 N -1.57 -0.01 -0.13 0.91 2.02 -0.79 -2.12 117.35 115.66 2own s TYR 67 Ca -0.15 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2own s TYR 67 Cb -0.09 -0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.48 2own s TYR 67 CO -0.01 -0.02 -0.06 0.00 -1.57 0.00 0.00 175.55 173.89 2own s ALA 68 N 0.14 1.29 -0.15 3.71 0.00 -0.31 -0.59 121.76 125.86 2own s ALA 68 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2own s ALA 68 Cb -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2own s ALA 68 CO -0.00 -0.55 -0.21 0.42 0.00 0.00 0.00 175.76 175.41 2own s ILE 69 N 1.72 2.10 -0.34 0.00 1.01 0.11 -0.74 121.20 125.05 2own s ILE 69 Ca 0.04 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 2own s ILE 69 Cb -0.13 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.52 2own s ILE 69 CO -0.08 0.55 0.14 -0.62 0.00 0.00 0.00 174.94 174.93 2own s ASP 70 N 0.90 5.46 -0.29 3.58 2.15 0.76 -1.20 116.67 128.02 2own s ASP 70 Ca -0.05 -0.97 -0.08 0.00 0.43 0.00 0.00 52.55 51.89 2own s ASP 70 Cb -0.15 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2own s ASP 70 CO -0.04 -0.32 0.10 -0.63 -0.17 0.00 0.00 175.17 174.12 2own s ILE 71 N 1.49 4.18 -0.12 4.11 1.01 0.32 -1.08 121.20 131.11 2own s ILE 71 Ca 0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2own s ILE 71 Cb -0.19 -3.13 -0.14 0.00 0.01 0.00 0.00 42.46 39.02 2own s ILE 71 CO 0.04 0.10 0.40 0.74 0.00 0.00 0.00 174.94 176.23 2own h THR 72 N 5.77 0.94 0.00 2.92 2.02 -1.11 -3.40 112.91 120.05 2own h THR 72 Ca -0.32 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.15 2own h THR 72 Cb 1.14 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2own h THR 72 CO 0.61 0.32 0.00 -2.11 0.37 0.00 0.00 175.52 174.70 2own n ARG 73 N -4.69 0.00 -3.97 6.66 1.85 -0.79 -5.01 116.66 110.71 2own n ARG 73 Ca -0.06 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.44 2own n ARG 73 Cb 0.26 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.60 2own n ARG 73 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2own s PRO 75 N 4.82 3.34 0.40 2.89 0.02 -1.26 -4.41 135.00 140.80 2own s PRO 75 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 61.00 60.75 2own s PRO 75 Cb 0.00 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2own s PRO 75 CO 0.00 0.74 0.66 1.03 -0.33 0.00 0.00 177.00 179.10 2own s ARG 76 N -1.23 3.54 0.29 5.54 0.52 -1.26 0.13 118.95 126.48 2own s ARG 76 Ca 0.18 -0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 2own s ARG 76 Cb -0.12 -2.53 -0.12 0.00 0.52 0.00 0.00 34.95 32.71 2own s ARG 76 CO 0.07 -0.00 1.55 0.94 0.02 0.00 0.00 175.30 177.88 2own n GLN 77 N -1.84 2.57 -1.05 3.54 7.27 0.04 -2.22 117.38 125.68 2own n GLN 77 Ca -0.02 0.91 -0.02 0.00 0.07 0.00 0.00 57.00 57.95 2own n GLN 77 Cb 0.55 -2.67 -0.01 0.00 2.41 0.00 0.00 30.24 30.53 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 2.04 -4.69 -4.78 1.69 8.00 0.11 -5.00 116.55 113.93 2own n ASP 78 Ca 0.09 0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 2own n ASP 78 Cb 0.36 -2.35 -0.06 0.00 -0.02 0.00 0.00 41.12 39.05 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 -1.43 4.49 -0.48 -1.24 2.12 -0.94 -4.77 118.70 116.45 2own s GLU 79 Ca 0.00 1.07 -0.17 0.00 0.36 0.00 0.00 54.97 56.23 2own s GLU 79 Cb 0.00 -3.27 0.06 0.00 0.26 0.00 0.00 34.13 31.18 2own s GLU 79 CO 0.00 0.54 0.47 0.08 -0.54 0.00 0.00 175.26 175.81 2own s VAL 80 N -0.98 5.11 0.10 3.70 1.01 -1.26 -1.29 120.40 126.79 2own s VAL 80 Ca 0.35 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2own s VAL 80 Cb -0.22 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2own s VAL 80 CO 0.24 -0.62 0.23 0.68 0.00 0.00 0.00 175.10 175.63 2own s VAL 81 N 1.99 5.24 -0.24 2.92 -7.23 0.15 -3.55 120.40 119.69 2own s VAL 81 Ca 0.08 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.59 2own s VAL 81 Cb -0.22 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 2own s VAL 81 CO 0.09 0.03 0.07 -0.89 -0.31 0.00 0.00 175.10 174.09 2own s THR 82 N -1.61 4.44 -0.42 5.32 2.01 0.29 0.01 115.64 125.68 2own s THR 82 Ca 0.34 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 2own s THR 82 Cb -0.12 -3.06 0.07 0.00 0.01 0.00 0.00 72.50 69.40 2own s THR 82 CO 0.27 0.36 0.26 -0.63 -0.69 0.00 0.00 174.62 174.19 2own s ILE 83 N 1.38 4.30 -0.07 1.82 1.09 0.38 -0.54 121.20 129.57 2own s ILE 83 Ca 0.05 -1.32 -0.10 0.00 -1.10 0.00 0.00 60.65 58.18 2own s ILE 83 Cb -0.15 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 2own s ILE 83 CO 0.04 -0.48 0.24 0.00 -0.10 0.00 0.00 174.94 174.64 2own s ALA 84 N 1.45 3.81 0.03 9.38 0.00 0.53 -2.13 121.76 134.83 2own s ALA 84 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2own s ALA 84 Cb -0.23 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 2own s ALA 84 CO 0.03 0.57 -0.05 0.54 0.00 0.00 0.00 175.76 176.85 2own s VAL 85 N -1.06 0.30 -0.20 0.00 0.11 0.98 -0.29 120.40 120.24 2own s VAL 85 Ca 0.18 -1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.05 2own s VAL 85 Cb -0.14 -0.53 0.07 0.00 -1.53 0.00 0.00 36.38 34.25 2own s VAL 85 CO 0.08 -0.50 0.48 -0.60 -3.33 0.00 0.00 175.10 171.22 2own s ARG 86 N -1.77 0.46 -1.13 1.54 3.52 -0.59 -1.39 118.95 119.59 2own s ARG 86 Ca -0.11 0.93 -0.16 0.00 -0.13 0.00 0.00 55.73 56.26 2own s ARG 86 Cb -0.08 0.07 0.15 0.00 -1.56 0.00 0.00 34.95 33.52 2own s ARG 86 CO -0.01 -0.17 1.38 0.20 -0.81 0.00 0.00 175.30 175.89 2own s GLY 87 N 1.60 2.15 0.08 8.12 0.00 -1.26 -1.55 107.32 116.46 2own s GLY 87 Ca -0.09 -3.11 -0.25 0.00 0.00 0.00 0.00 44.72 41.27 2own s GLY 87 CO -0.15 2.13 1.68 1.76 0.00 0.00 0.00 173.10 178.52 2own h SER 88 N 7.78 -0.18 -5.05 1.64 0.02 -1.80 -3.32 113.55 112.64 2own h SER 88 Ca 0.28 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 2own h SER 88 Cb 0.92 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2own h SER 88 CO 1.23 -0.10 0.29 0.00 -1.14 0.00 0.00 176.83 177.11 2own s ALA 89 N -6.03 -1.05 0.08 3.77 0.00 -1.06 -2.38 121.76 115.09 2own s ALA 89 Ca -0.14 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.07 2own s ALA 89 Cb 0.05 0.75 0.08 0.00 0.00 0.00 0.00 23.12 24.00 2own s ALA 89 CO 0.65 -1.02 0.68 1.52 0.00 0.00 0.00 175.76 177.59 2own s TYR 90 N -3.03 -0.52 0.50 0.00 1.13 -0.64 -0.13 117.35 114.67 2own s TYR 90 Ca 0.14 0.46 0.01 0.00 -1.41 0.00 0.00 57.07 56.27 2own s TYR 90 Cb -0.05 0.53 -0.00 0.00 -1.10 0.00 0.00 41.96 41.33 2own s TYR 90 CO 0.09 -0.73 0.03 0.27 -2.51 0.00 0.00 175.55 172.69 2own n ASN 91 N -0.08 3.04 -0.35 -0.18 6.94 0.14 -1.21 115.26 123.56 2own n ASN 91 Ca -0.16 -3.26 0.34 0.00 -0.02 0.00 0.00 54.58 51.49 2own n ASN 91 Cb 0.63 0.48 0.71 0.00 -2.36 0.00 0.00 39.78 39.24 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 0.07 0.00 -0.53 0.11 -1.94 -3.32 132.00 126.40 2own h PRO 92 Ca -0.41 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2own h PRO 92 Cb 1.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2own h PRO 92 CO 0.68 0.05 -1.11 0.66 -0.21 0.00 0.00 178.00 178.06 2own n TYR 93 N -4.27 0.00 -4.24 0.65 4.02 -1.26 -0.22 117.16 111.83 2own n TYR 93 Ca 0.27 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.81 2own n TYR 93 Cb 1.23 -0.08 -0.08 0.00 -0.02 0.00 0.00 39.34 40.39 2own n TYR 93 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2own s PHE 94 N -2.04 3.25 -0.12 -0.72 0.08 -1.25 -4.54 117.98 112.65 2own s PHE 94 Ca -0.02 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.29 2own s PHE 94 Cb 0.01 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2own s PHE 94 CO 0.05 0.53 -0.17 0.00 -0.10 0.00 0.00 175.22 175.53 2own s ALA 95 N -0.96 2.48 -0.34 5.36 0.00 -0.16 -0.69 121.76 127.44 2own s ALA 95 Ca 0.15 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 2own s ALA 95 Cb -0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 2own s ALA 95 CO 0.05 0.27 0.24 -0.47 0.00 0.00 0.00 175.76 175.85 2own s TYR 96 N 0.31 3.23 -0.10 0.00 5.04 0.82 -1.37 117.35 125.26 2own s TYR 96 Ca -0.13 -0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.29 2own s TYR 96 Cb -0.16 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.67 2own s TYR 96 CO 0.07 -0.38 -0.22 0.50 -1.34 0.00 0.00 175.55 174.18 2own s ARG 97 N 1.71 2.84 0.06 4.97 3.52 -0.83 -2.44 118.95 128.79 2own s ARG 97 Ca 0.06 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 2own s ARG 97 Cb -0.17 -2.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 2own s ARG 97 CO 0.10 0.11 -0.02 -1.21 -0.81 0.00 0.00 175.30 173.47 2own s GLU 98 N 0.52 2.53 0.01 5.12 2.02 -0.60 -1.37 118.70 126.93 2own s GLU 98 Ca -0.15 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.04 2own s GLU 98 Cb -0.17 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2own s GLU 98 CO 0.05 0.56 -0.03 -0.06 0.02 0.00 0.00 175.26 175.81 2own s PHE 99 N -1.22 0.25 -0.10 1.61 0.40 0.37 -1.54 117.98 117.76 2own s PHE 99 Ca 0.23 -0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2own s PHE 99 Cb -0.11 -0.16 0.02 0.00 0.51 0.00 0.00 43.02 43.28 2own s PHE 99 CO 0.15 -0.05 -0.07 -1.58 0.70 0.00 0.00 175.22 174.37 2own s TRP 100 N -0.52 1.30 -0.27 0.36 0.51 0.60 -1.03 118.94 119.89 2own s TRP 100 Ca -0.04 -0.59 -0.09 0.00 -2.12 0.00 0.00 56.10 53.26 2own s TRP 100 Cb -0.04 -1.10 -0.03 0.00 -0.81 0.00 0.00 33.47 31.49 2own s TRP 100 CO -0.00 -0.43 0.12 0.42 -0.51 0.00 0.00 176.95 176.54 2own s ILE 101 N 1.56 4.61 0.18 2.03 -1.09 0.02 -0.35 121.20 128.16 2own s ILE 101 Ca 0.01 -0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.36 2own s ILE 101 Cb -0.13 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 2own s ILE 101 CO -0.06 0.25 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.59 2own s ARG 102 N 1.65 1.34 0.89 2.79 0.52 0.30 -0.86 118.95 125.58 2own s ARG 102 Ca 0.06 -1.47 -0.12 0.00 -0.52 0.00 0.00 55.73 53.68 2own s ARG 102 Cb -0.16 -1.39 0.17 0.00 0.52 0.00 0.00 34.95 34.10 2own s ARG 102 CO 0.06 0.28 1.23 0.16 0.02 0.00 0.00 175.30 177.05 2own s ASP 103 N -2.82 3.50 0.44 0.23 1.47 -0.30 -0.54 116.67 118.64 2own s ASP 103 Ca 0.18 0.15 0.14 0.00 1.18 0.00 0.00 52.55 54.20 2own s ASP 103 Cb -0.05 -0.30 1.04 0.00 -0.34 0.00 0.00 42.92 43.27 2own s ASP 103 CO 0.08 -2.47 1.99 0.00 0.68 0.00 0.00 175.17 175.45 2own h ALA 104 N -1.34 2.02 -0.04 2.11 0.00 -1.90 -1.97 119.26 118.14 2own h ALA 104 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2own h ALA 104 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2own h ALA 104 CO 0.40 -0.14 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 2own n ASP 105 N -4.47 0.97 0.00 0.00 8.00 -1.26 -4.96 116.55 114.83 2own n ASP 105 Ca 0.09 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.20 2own n ASP 105 Cb 0.35 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.08 0.95 3.75 0.44 0.00 -0.74 -5.07 105.19 105.60 2own n GLY 106 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.52 4.63 0.01 1.61 1.11 -1.26 -4.72 119.66 120.52 2own s GLN 107 Ca 0.00 1.76 -0.30 0.00 0.01 0.00 0.00 55.36 56.83 2own s GLN 107 Cb 0.00 -3.22 -0.06 0.00 -1.01 0.00 0.00 33.01 28.72 2own s GLN 107 CO 0.00 0.17 1.38 -1.14 0.01 0.00 0.00 175.29 175.72 2own s GLN 108 N -1.04 4.29 -0.24 2.91 0.74 -1.26 -1.15 119.66 123.91 2own s GLN 108 Ca 0.46 1.95 -0.14 0.00 0.05 0.00 0.00 55.36 57.69 2own s GLN 108 Cb -0.31 -3.54 -0.16 0.00 1.10 0.00 0.00 33.01 30.10 2own s GLN 108 CO 0.38 -0.55 -0.12 1.28 -0.55 0.00 0.00 175.29 175.73 2own n LEU 109 N 5.22 2.12 -3.83 3.68 4.77 -0.04 -4.70 117.00 124.21 2own n LEU 109 Ca 0.13 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 2own n LEU 109 Cb 0.44 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 2own n LEU 109 CO 0.58 0.56 -0.10 0.00 -1.33 0.00 0.00 177.39 177.11 2own s ALA 110 N -2.47 -0.48 -0.09 -1.18 0.00 -0.60 -0.60 121.76 116.33 2own s ALA 110 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2own s ALA 110 Cb 0.11 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2own s ALA 110 CO 0.56 -0.25 -0.03 -0.47 0.00 0.00 0.00 175.76 175.56 2own s TYR 111 N -1.55 1.05 -0.11 0.00 5.04 -0.24 -0.80 117.35 120.73 2own s TYR 111 Ca -0.13 -0.44 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 2own s TYR 111 Cb -0.06 -1.00 -0.01 0.00 0.35 0.00 0.00 41.96 41.24 2own s TYR 111 CO 0.02 -0.42 -0.19 0.42 -1.34 0.00 0.00 175.55 174.04 2own s ILE 112 N 1.85 2.53 0.13 3.14 1.01 -0.20 -0.17 121.20 129.49 2own s ILE 112 Ca 0.05 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.93 2own s ILE 112 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2own s ILE 112 CO -0.07 0.55 -0.17 0.42 0.00 0.00 0.00 174.94 175.67 2own s THR 113 N 0.25 2.89 0.16 2.92 -4.23 0.08 -0.48 115.64 117.22 2own s THR 113 Ca -0.13 -1.53 -0.20 0.00 -1.18 0.00 0.00 61.69 58.65 2own s THR 113 Cb -0.16 -2.34 0.05 0.00 1.34 0.00 0.00 72.50 71.39 2own s THR 113 CO 0.07 0.07 0.53 -0.94 -0.54 0.00 0.00 174.62 173.81 2own s SER 114 N -2.24 -0.42 -0.06 3.99 1.04 -0.47 -1.16 113.70 114.37 2own s SER 114 Ca 0.19 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.50 2own s SER 114 Cb -0.10 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.57 2own s SER 114 CO 0.11 -0.95 -0.22 -0.63 0.98 0.00 0.00 173.24 172.53 2own s ILE 115 N -3.78 1.80 0.05 -1.02 -1.09 -0.90 -1.96 121.20 114.29 2own s ILE 115 Ca 0.03 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.59 2own s ILE 115 Cb -0.00 -1.54 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 2own s ILE 115 CO -0.11 0.51 -0.15 0.26 -1.23 0.00 0.00 174.94 174.21 2own s TRP 116 N 0.07 1.34 0.00 3.97 0.52 -0.47 -1.18 118.94 123.18 2own s TRP 116 Ca -0.08 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.67 2own s TRP 116 Cb -0.14 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.39 2own s TRP 116 CO 0.04 0.05 0.00 1.33 0.02 0.00 0.00 176.95 178.40 2own n VAL 117 N 1.80 0.00 -4.40 4.03 0.24 -0.35 -0.99 118.33 118.65 2own n VAL 117 Ca -0.18 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.81 2own n VAL 117 Cb 0.54 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.81 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 4.32 0.02 -1.34 0.15 -0.91 -0.89 113.70 116.04 2own s SER 120 Ca 0.00 -0.32 -0.20 0.00 0.70 0.00 0.00 55.95 56.13 2own s SER 120 Cb 0.00 -0.86 -0.18 0.00 -1.71 0.00 0.00 66.02 63.27 2own s SER 120 CO 0.00 0.23 1.21 1.56 1.20 0.00 0.00 173.24 177.44 2own h GLN 121 N 4.10 0.39 0.00 5.44 1.08 -1.84 -3.05 115.11 121.24 2own h GLN 121 Ca -0.48 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.41 2own h GLN 121 Cb 1.16 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2own h GLN 121 CO 0.52 0.93 -0.01 1.15 -0.95 0.00 0.00 178.83 180.47 2own h THR 122 N -0.07 0.00 0.00 -0.54 2.02 -2.01 -3.40 112.91 108.90 2own h THR 122 Ca -0.02 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 2own h THR 122 Cb 0.99 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2own h THR 122 CO 0.07 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.63 2own h THR 123 N -0.31 0.99 -5.08 3.16 1.03 -1.96 -3.48 112.91 107.27 2own h THR 123 Ca 0.00 -1.24 -0.29 0.00 -0.01 0.00 0.00 66.41 64.88 2own h THR 123 Cb 0.01 1.72 0.14 0.00 -1.07 0.00 0.00 68.15 68.94 2own h THR 123 CO 0.00 0.32 -0.64 0.54 -0.01 0.00 0.00 175.52 175.73 2own n ARG 124 N -3.79 -5.75 -4.36 0.00 5.12 -1.15 -5.01 116.66 101.72 2own n ARG 124 Ca -0.01 0.71 -0.20 0.00 -1.93 0.00 0.00 57.85 56.43 2own n ARG 124 Cb 0.41 -5.35 -0.10 0.00 -1.16 0.00 0.00 32.46 26.27 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 -5.28 1.35 -0.90 5.56 3.00 -1.26 -4.86 118.95 116.56 2own s ARG 125 Ca 0.07 -1.57 -0.24 0.00 0.00 0.00 0.00 55.73 53.98 2own s ARG 125 Cb -0.03 -1.23 0.01 0.00 0.00 0.00 0.00 34.95 33.70 2own s ARG 125 CO 0.62 0.22 1.63 0.42 0.00 0.00 0.00 175.30 178.19 2own s ILE 126 N -2.74 3.68 0.70 1.52 1.09 -1.26 -2.15 121.20 122.03 2own s ILE 126 Ca 0.22 -0.36 -0.11 0.00 -1.10 0.00 0.00 60.65 59.30 2own s ILE 126 Cb -0.02 -4.57 0.02 0.00 -1.06 0.00 0.00 42.46 36.83 2own s ILE 126 CO 0.08 -1.49 1.08 0.68 -0.10 0.00 0.00 174.94 175.19 2own s VAL 127 N 7.21 3.27 0.53 2.92 -7.23 -1.26 -5.04 120.40 120.80 2own s VAL 127 Ca 0.55 0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 60.85 2own s VAL 127 Cb -0.05 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.43 2own s VAL 127 CO -0.00 -0.50 1.10 -0.54 -0.31 0.00 0.00 175.10 174.84 2own s LYS 128 N -5.34 3.47 -0.01 4.82 1.02 -1.26 -4.85 119.74 117.58 2own s LYS 128 Ca 0.58 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.79 2own s LYS 128 Cb -0.11 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2own s LYS 128 CO 0.50 -0.74 1.26 0.42 -0.92 0.00 0.00 175.35 175.88 2own s ILE 129 N -1.87 4.03 -0.22 2.17 1.01 0.69 -5.00 121.20 122.02 2own s ILE 129 Ca 0.71 1.40 -0.28 0.00 0.00 0.00 0.00 60.65 62.47 2own s ILE 129 Cb -0.21 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2own s ILE 129 CO 0.26 0.02 1.00 -0.76 0.00 0.00 0.00 174.94 175.46 2own s LEU 130 N 2.04 4.12 0.56 2.97 1.43 -1.26 -4.96 118.68 123.58 2own s LEU 130 Ca 0.59 1.34 0.25 0.00 -1.03 0.00 0.00 54.13 55.28 2own s LEU 130 Cb -0.28 -3.48 1.60 0.00 0.03 0.00 0.00 46.19 44.06 2own s LEU 130 CO 0.25 -0.61 2.19 1.55 0.23 0.00 0.00 176.35 179.96 2own h PRO 131 N 7.44 0.00 -0.53 1.29 0.13 -1.99 -2.81 132.00 135.52 2own h PRO 131 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 2own h PRO 131 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2own h PRO 131 CO 0.95 0.03 0.16 1.05 -0.23 0.00 0.00 178.00 179.95 2own h GLU 132 N 0.00 0.80 0.00 0.86 4.11 -2.00 0.31 114.58 118.66 2own h GLU 132 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2own h GLU 132 Cb 0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2own h GLU 132 CO 0.00 0.70 0.00 1.28 0.07 0.00 0.00 179.01 181.06 2own n LEU 133 N -4.30 0.34 -0.05 3.06 4.77 -1.06 -4.08 117.00 115.69 2own n LEU 133 Ca 0.04 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 2own n LEU 133 Cb 0.20 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 2own n LEU 133 CO 0.39 -0.10 -0.83 0.52 -1.33 0.00 0.00 177.39 176.04 2own n VAL 134 N -1.83 0.65 -0.26 4.08 0.31 -1.11 -4.81 118.33 115.37 2own n VAL 134 Ca 0.06 -0.35 0.05 0.00 -0.01 0.00 0.00 64.34 64.09 2own n VAL 134 Cb 0.37 -0.81 0.16 0.00 -0.91 0.00 0.00 33.84 32.64 2own n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2own h ALA 135 N 0.30 0.78 -0.44 3.52 0.00 -0.53 -2.22 119.26 120.68 2own h ALA 135 Ca -0.26 0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2own h ALA 135 Cb 1.52 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2own h ALA 135 CO -0.01 -0.42 0.36 -1.35 0.00 0.00 0.00 179.25 177.83 2own h PRO 136 N 0.10 0.00 0.00 0.00 0.11 -1.84 -0.45 132.00 129.91 2own h PRO 136 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2own h PRO 136 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2own h PRO 136 CO -0.67 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 179.00 2own h TYR 137 N 0.00 0.00 -4.14 0.65 0.05 -1.74 -3.48 116.97 108.31 2own h TYR 137 Ca 0.21 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.71 2own h TYR 137 Cb 0.92 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.74 2own h TYR 137 CO 0.00 0.00 -0.46 1.04 -1.05 0.00 0.00 178.16 177.69 2own n GLN 138 N -2.34 -5.13 -2.55 4.88 6.02 -0.18 -2.26 117.38 115.83 2own n GLN 138 Ca 0.04 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 57.21 2own n GLN 138 Cb 0.36 -4.85 -0.04 0.00 1.02 0.00 0.00 30.24 26.73 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 -3.14 7.32 0.33 1.08 0.01 -1.25 -3.67 113.70 114.38 2own s SER 139 Ca 0.37 2.10 -0.26 0.00 1.31 0.00 0.00 55.95 59.47 2own s SER 139 Cb -0.16 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.36 2own s SER 139 CO 0.46 -0.15 0.96 -1.83 0.41 0.00 0.00 173.24 173.09 2own s GLU 140 N -0.69 4.55 -0.16 12.44 -1.05 -1.00 -4.83 118.70 127.97 2own s GLU 140 Ca 0.47 1.37 -0.24 0.00 -0.15 0.00 0.00 54.97 56.42 2own s GLU 140 Cb -0.29 -2.80 -0.02 0.00 -0.44 0.00 0.00 34.13 30.58 2own s GLU 140 CO 0.36 0.24 0.79 0.08 0.95 0.00 0.00 175.26 177.67 2own s VAL 141 N -1.59 4.92 0.00 1.83 1.01 -1.26 -1.62 120.40 123.69 2own s VAL 141 Ca 0.50 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2own s VAL 141 Cb -0.20 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2own s VAL 141 CO 0.25 0.07 0.00 1.33 0.00 0.00 0.00 175.10 176.75 2own n VAL 142 N 4.59 0.00 -3.28 2.92 0.24 -0.35 -4.97 118.33 117.49 2own n VAL 142 Ca 0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 2own n VAL 142 Cb 0.49 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.82 2own n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2own s ARG 144 N -0.62 3.75 -0.33 7.34 1.70 -1.26 -4.33 118.95 125.20 2own s ARG 144 Ca 0.00 0.23 -0.09 0.00 -0.47 0.00 0.00 55.73 55.40 2own s ARG 144 Cb 0.00 -2.59 0.01 0.00 -0.57 0.00 0.00 34.95 31.80 2own s ARG 144 CO 0.00 0.21 0.15 0.42 -1.08 0.00 0.00 175.30 175.00 2own s ILE 145 N -2.01 4.33 0.49 4.99 1.01 -1.26 -5.10 121.20 123.66 2own s ILE 145 Ca 0.47 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 2own s ILE 145 Cb -0.11 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 2own s ILE 145 CO 0.26 -0.07 0.94 -2.65 0.00 0.00 0.00 174.94 173.42 2own n PRO 146 N 4.94 1.11 -2.28 2.79 -0.02 -1.26 -4.94 135.00 135.35 2own n PRO 146 Ca -0.13 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2own n PRO 146 Cb 0.47 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2own n PRO 146 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2own s ARG 147 N -2.25 4.35 0.69 -0.52 3.52 -1.26 -5.02 118.95 118.46 2own s ARG 147 Ca 0.68 1.93 -0.12 0.00 -0.13 0.00 0.00 55.73 58.09 2own s ARG 147 Cb -0.50 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2own s ARG 147 CO 0.54 -0.41 1.07 -0.51 -0.81 0.00 0.00 175.30 175.17 2own s LEU 148 N 1.45 3.19 0.02 -0.88 1.02 -1.26 -4.95 118.68 117.27 2own s LEU 148 Ca 0.62 1.73 -0.31 0.00 0.02 0.00 0.00 54.13 56.19 2own s LEU 148 Cb -0.33 -4.51 -0.10 0.00 0.02 0.00 0.00 46.19 41.28 2own s LEU 148 CO 0.29 -1.55 1.95 -2.65 0.02 0.00 0.00 176.35 174.40 2own n PRO 149 N -2.97 2.74 -2.53 1.29 -0.02 -1.26 -4.96 135.00 127.29 2own n PRO 149 Ca 0.08 1.01 -0.37 0.00 -2.02 0.00 0.00 63.50 62.20 2own n PRO 149 Cb 0.53 -2.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.03 2own n PRO 149 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2own s ARG 150 N 4.29 4.26 0.82 -0.52 0.52 -1.26 -4.83 118.95 122.23 2own s ARG 150 Ca 0.89 1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 57.56 2own s ARG 150 Cb -0.49 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 32.39 2own s ARG 150 CO 0.44 -0.07 1.09 -2.14 0.02 0.00 0.00 175.30 174.64 2own s PRO 151 N -2.27 1.93 0.32 3.54 0.02 -1.26 -5.00 135.00 132.27 2own s PRO 151 Ca 0.55 0.82 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 2own s PRO 151 Cb -0.24 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 2own s PRO 151 CO 0.30 -1.78 1.32 0.42 -0.33 0.00 0.00 177.00 176.94 2own s ILE 152 N -3.03 2.72 -0.31 2.83 1.01 -1.26 -4.93 121.20 118.24 2own s ILE 152 Ca 0.61 0.71 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 2own s ILE 152 Cb -0.16 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2own s ILE 152 CO 0.56 0.16 1.62 -0.55 0.00 0.00 0.00 174.94 176.72 2own s SER 153 N -0.34 6.20 0.14 3.58 0.15 -1.26 -4.85 113.70 117.32 2own s SER 153 Ca 0.51 1.27 -0.31 0.00 0.70 0.00 0.00 55.95 58.12 2own s SER 153 Cb -0.40 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.27 2own s SER 153 CO 0.51 -1.46 1.76 0.12 1.20 0.00 0.00 173.24 175.37 2own s PHE 154 N 5.85 2.42 -0.14 3.44 5.36 -1.26 -5.01 117.98 128.64 2own s PHE 154 Ca 0.71 0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 56.83 2own s PHE 154 Cb -0.21 -4.12 0.03 0.00 -0.34 0.00 0.00 43.02 38.38 2own s PHE 154 CO 0.32 -4.50 -0.07 -1.21 -1.46 0.00 0.00 175.22 168.30 2own s GLU 155 N 2.25 1.52 0.34 10.12 2.02 -1.26 -5.13 118.70 128.56 2own s GLU 155 Ca 0.78 -0.39 -0.27 0.00 0.02 0.00 0.00 54.97 55.11 2own s GLU 155 Cb -0.46 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 2own s GLU 155 CO 0.34 -0.34 1.14 0.00 0.02 0.00 0.00 175.26 176.43 2own s ALA 156 N 1.66 3.29 0.34 5.21 0.00 -1.26 -5.02 121.76 125.99 2own s ALA 156 Ca 0.03 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.97 2own s ALA 156 Cb -0.14 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2own s ALA 156 CO -0.08 -0.36 0.14 0.95 0.00 0.00 0.00 175.76 176.41 2own s THR 157 N -1.31 0.55 0.52 0.00 -4.23 -1.26 -5.03 115.64 104.87 2own s THR 157 Ca 0.51 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.23 2own s THR 157 Cb -0.31 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.38 2own s THR 157 CO 0.40 0.00 2.05 -2.24 -0.54 0.00 0.00 174.62 174.29 2own h ASP 158 N 2.05 0.04 -0.47 3.99 2.03 -2.04 -2.52 116.42 119.50 2own h ASP 158 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2own h ASP 158 Cb 1.26 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2own h ASP 158 CO 0.56 0.03 0.00 0.35 -1.03 0.00 0.00 179.24 179.15 2own n THR 159 N -4.44 0.62 -1.97 1.15 -2.24 -1.26 -4.99 114.28 101.15 2own n THR 159 Ca 0.05 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 2own n THR 159 Cb 0.40 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.38 2.66 -0.22 4.28 2.01 -0.95 -4.89 115.64 117.15 2own s THR 160 Ca 0.37 0.50 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 2own s THR 160 Cb 0.20 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 2own s THR 160 CO 0.27 0.05 0.68 -0.63 -0.69 0.00 0.00 174.62 174.30 2own s ILE 161 N 0.75 4.97 -0.08 1.82 1.01 0.34 -4.92 121.20 125.08 2own s ILE 161 Ca 0.66 1.27 0.03 0.00 0.00 0.00 0.00 60.65 62.62 2own s ILE 161 Cb -0.43 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.06 2own s ILE 161 CO 0.35 0.05 -0.18 -0.89 0.00 0.00 0.00 174.94 174.27 2own s THR 162 N 2.26 1.59 -0.02 2.92 2.01 -1.26 -0.41 115.64 122.74 2own s THR 162 Ca 0.30 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2own s THR 162 Cb -0.16 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2own s THR 162 CO 0.09 0.46 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.92 2own s LYS 163 N 0.45 0.34 0.27 4.92 1.02 -0.39 -5.02 119.74 121.34 2own s LYS 163 Ca -0.16 -0.04 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 2own s LYS 163 Cb -0.16 -0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 36.65 2own s LYS 163 CO 0.06 -0.03 0.71 -1.25 -0.92 0.00 0.00 175.35 173.92 2own s PRO 164 N 0.48 4.07 -0.00 -1.68 0.04 -1.26 -1.07 135.00 135.57 2own s PRO 164 Ca -0.05 0.69 0.01 0.00 0.04 0.00 0.00 61.00 61.70 2own s PRO 164 Cb -0.08 -2.63 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 2own s PRO 164 CO -0.01 0.27 -0.04 0.71 0.04 0.00 0.00 177.00 177.97 2own s TYR 165 N -1.79 0.37 -0.12 0.56 2.02 0.14 -4.95 117.35 113.58 2own s TYR 165 Ca 0.49 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 57.06 2own s TYR 165 Cb -0.13 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 2own s TYR 165 CO 0.19 -0.01 0.09 -1.01 -1.57 0.00 0.00 175.55 173.24 2own s HIS 166 N -0.10 3.41 -0.13 2.71 3.76 -1.26 0.14 115.29 123.81 2own s HIS 166 Ca 0.01 0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 2own s HIS 166 Cb -0.02 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 2own s HIS 166 CO -0.00 0.56 1.13 0.08 -0.85 0.00 0.00 174.74 175.66 2own s VAL 167 N -0.76 4.50 0.48 -0.90 1.01 -0.94 -4.97 120.40 118.83 2own s VAL 167 Ca 0.13 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.91 2own s VAL 167 Cb -0.12 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2own s VAL 167 CO 0.03 -0.07 0.70 -0.13 0.00 0.00 0.00 175.10 175.63 2own s ARG 168 N 2.66 2.89 0.13 2.72 0.52 -1.26 -3.97 118.95 122.64 2own s ARG 168 Ca 0.51 -0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 54.94 2own s ARG 168 Cb -0.20 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 2own s ARG 168 CO 0.16 -0.42 1.78 0.35 0.02 0.00 0.00 175.30 177.19 2own h PHE 169 N 0.29 0.28 0.00 -0.53 3.57 -1.96 -2.58 116.94 116.01 2own h PHE 169 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2own h PHE 169 Cb 1.27 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2own h PHE 169 CO 0.42 0.18 0.00 1.19 -2.23 0.00 0.00 178.31 177.87 2own n PHE 170 N -4.93 0.57 0.22 0.41 3.72 -1.26 -2.27 117.46 113.91 2own n PHE 170 Ca -0.02 0.24 0.09 0.00 -0.05 0.00 0.00 57.45 57.70 2own n PHE 170 Cb 0.03 -0.89 0.49 0.00 -0.94 0.00 0.00 39.48 38.17 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 -3.20 4.37 3.32 -1.85 -3.41 116.42 115.65 2own h ASP 171 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2own h ASP 171 Cb 0.24 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.67 2own h ASP 171 CO 0.00 0.26 0.57 -0.63 -1.72 0.00 0.00 179.24 177.72 2own s ILE 172 N -3.86 4.38 0.88 0.35 1.09 -0.96 -1.40 121.20 121.69 2own s ILE 172 Ca -0.01 0.28 -0.14 0.00 -1.10 0.00 0.00 60.65 59.68 2own s ILE 172 Cb 0.12 -4.54 0.14 0.00 -1.06 0.00 0.00 42.46 37.11 2own s ILE 172 CO 0.65 -1.12 1.25 1.51 -0.10 0.00 0.00 174.94 177.12 2own s ASP 173 N 2.85 3.85 0.57 3.58 -4.77 -0.88 -4.85 116.67 117.02 2own s ASP 173 Ca 0.30 0.54 0.29 0.00 -3.30 0.00 0.00 52.55 50.38 2own s ASP 173 Cb -0.13 -0.82 0.98 0.00 -1.09 0.00 0.00 42.92 41.87 2own s ASP 173 CO 0.19 -2.30 1.27 -2.65 0.70 0.00 0.00 175.17 172.38 2own n PRO 174 N -3.53 0.01 -0.19 2.11 -0.02 -1.26 -1.92 135.00 130.20 2own n PRO 174 Ca 0.11 0.98 0.03 0.00 -2.02 0.00 0.00 63.50 62.61 2own n PRO 174 Cb 0.60 -2.42 0.12 0.00 -0.02 0.00 0.00 33.50 31.78 2own n PRO 174 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2own n ASN 175 N -3.25 1.79 -2.30 2.55 0.23 -1.26 -4.93 115.26 108.09 2own n ASN 175 Ca 0.25 -2.12 -0.18 0.00 -0.53 0.00 0.00 54.58 52.00 2own n ASN 175 Cb 1.53 -0.32 0.01 0.00 -2.08 0.00 0.00 39.78 38.93 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 0.20 -2.95 -3.98 -3.83 1.74 -0.81 -5.03 116.66 102.01 2own n ARG 176 Ca 0.08 0.79 -0.09 0.00 -0.77 0.00 0.00 57.85 57.87 2own n ARG 176 Cb 0.35 -5.30 -0.11 0.00 -1.02 0.00 0.00 32.46 26.38 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 -2.98 0.26 -0.28 -1.55 3.76 -1.25 -5.01 115.29 108.24 2own s HIS 177 Ca 0.15 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 2own s HIS 177 Cb -0.06 -0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.41 2own s HIS 177 CO 0.18 -0.23 1.64 0.08 -0.85 0.00 0.00 174.74 175.56 2own s VAL 178 N -1.80 3.66 0.04 -0.90 1.01 -1.26 -2.07 120.40 119.09 2own s VAL 178 Ca -0.13 0.72 -0.34 0.00 0.00 0.00 0.00 61.98 62.23 2own s VAL 178 Cb -0.07 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.42 2own s VAL 178 CO -0.02 -0.40 1.74 -3.20 0.00 0.00 0.00 175.10 173.22 2own n ASN 179 N 9.05 3.32 0.05 3.32 5.15 -0.49 -4.91 115.26 130.76 2own n ASN 179 Ca 0.20 1.02 0.15 0.00 -0.60 0.00 0.00 54.58 55.35 2own n ASN 179 Cb 0.46 -1.41 0.63 0.00 -0.53 0.00 0.00 39.78 38.93 2own n ASN 179 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2own h ASN 180 N 7.63 0.09 -0.60 1.20 -1.07 -1.92 -2.76 115.58 118.14 2own h ASN 180 Ca -0.47 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 55.90 2own h ASN 180 Cb 1.26 -0.02 -0.03 0.00 -2.07 0.00 0.00 38.32 37.46 2own h ASN 180 CO 0.92 0.05 0.36 0.00 0.07 0.00 0.00 177.43 178.83 2own h ALA 181 N 1.80 1.49 0.00 4.14 0.00 -1.91 -2.75 119.26 122.04 2own h ALA 181 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2own h ALA 181 Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2own h ALA 181 CO -0.02 0.44 0.00 0.45 0.00 0.00 0.00 179.25 180.12 2own h HIS 182 N 0.84 0.00 -0.74 0.00 3.86 -1.83 -2.52 115.15 114.76 2own h HIS 182 Ca 0.22 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 2own h HIS 182 Cb -0.02 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 2own h HIS 182 CO 0.00 0.00 0.49 1.88 0.86 0.00 0.00 177.93 181.16 2own h TYR 183 N 0.00 0.85 0.00 2.45 -1.99 -1.65 -1.93 116.97 114.70 2own h TYR 183 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2own h TYR 183 Cb 0.21 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.66 2own h TYR 183 CO 0.00 0.49 -0.03 0.74 -0.00 0.00 0.00 178.16 179.36 2own h PHE 184 N 0.87 0.00 -0.64 4.88 0.04 -1.64 -0.62 116.94 119.83 2own h PHE 184 Ca 0.30 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 2own h PHE 184 Cb 0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2own h PHE 184 CO -0.00 0.03 0.37 -0.44 -0.60 0.00 0.00 178.31 177.67 2own h ASP 185 N 0.00 0.79 0.00 2.17 3.32 -1.51 -1.41 116.42 119.78 2own h ASP 185 Ca -0.00 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2own h ASP 185 Cb 0.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2own h ASP 185 CO 0.00 0.64 -0.20 -0.50 -1.72 0.00 0.00 179.24 177.47 2own h TRP 186 N 0.87 0.19 0.11 4.55 6.55 -1.41 -2.77 115.95 124.04 2own h TRP 186 Ca 0.23 -0.11 0.02 0.00 0.95 0.00 0.00 58.89 59.98 2own h TRP 186 Cb 0.01 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.26 2own h TRP 186 CO -0.01 0.92 -0.21 -0.07 -1.05 0.00 0.00 178.44 178.01 2own h LEU 187 N -0.59 -0.60 -0.23 -4.49 3.38 -1.16 -1.93 115.31 109.68 2own h LEU 187 Ca -0.03 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2own h LEU 187 Cb 0.98 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2own h LEU 187 CO 0.04 -0.30 -0.18 0.58 0.09 0.00 0.00 178.44 178.67 2own h VAL 188 N -0.40 1.32 0.00 1.22 2.07 -1.41 -3.09 116.25 115.96 2own h VAL 188 Ca 0.03 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 2own h VAL 188 Cb 0.42 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2own h VAL 188 CO -0.12 0.41 -0.04 -0.78 0.02 0.00 0.00 177.57 177.05 2own h ASP 189 N 0.22 0.00 -0.84 0.57 3.58 -1.48 -2.55 116.42 115.93 2own h ASP 189 Ca 0.04 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.57 2own h ASP 189 Cb 0.72 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.71 2own h ASP 189 CO 0.05 0.04 0.54 0.74 -2.88 0.00 0.00 179.24 177.73 2own h THR 190 N 0.00 1.00 -3.93 2.25 2.02 -1.26 -3.42 112.91 109.58 2own h THR 190 Ca -0.00 -0.29 -0.47 0.00 0.77 0.00 0.00 66.41 66.41 2own h THR 190 Cb 0.20 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2own h THR 190 CO 0.01 0.16 0.38 -0.76 0.37 0.00 0.00 175.52 175.67 2own s LEU 191 N -9.85 4.24 0.60 2.58 1.43 -0.96 -4.90 118.68 111.81 2own s LEU 191 Ca -0.10 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.78 2own s LEU 191 Cb 0.20 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2own s LEU 191 CO 0.79 -0.26 1.04 -2.16 0.23 0.00 0.00 176.35 175.98 2own s PRO 192 N -2.28 3.43 0.42 1.29 0.04 -1.26 -4.86 135.00 131.77 2own s PRO 192 Ca 0.54 1.02 0.15 0.00 0.04 0.00 0.00 61.00 62.74 2own s PRO 192 Cb -0.20 -2.05 1.03 0.00 0.04 0.00 0.00 34.50 33.31 2own s PRO 192 CO 0.25 -0.71 1.94 0.00 0.04 0.00 0.00 177.00 178.52 2own h ALA 193 N 0.18 2.06 -0.42 8.56 0.00 -1.95 -1.40 119.26 126.29 2own h ALA 193 Ca -0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2own h ALA 193 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2own h ALA 193 CO 0.59 -0.24 0.24 1.79 0.00 0.00 0.00 179.25 181.63 2own h THR 194 N 0.43 1.13 0.06 0.00 1.35 -1.98 0.13 112.91 114.03 2own h THR 194 Ca 0.34 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2own h THR 194 Cb 0.73 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2own h THR 194 CO -0.11 0.14 -0.03 0.15 -0.25 0.00 0.00 175.52 175.42 2own h PHE 195 N 0.58 -0.08 -0.82 4.73 3.04 -1.67 -3.35 116.94 119.38 2own h PHE 195 Ca 0.15 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.15 2own h PHE 195 Cb -0.00 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.48 2own h PHE 195 CO 0.00 0.48 0.54 -0.07 -2.02 0.00 0.00 178.31 177.24 2own h LEU 196 N -0.91 0.84 -0.13 0.59 3.38 -1.10 -2.53 115.31 115.45 2own h LEU 196 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2own h LEU 196 Cb 0.59 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2own h LEU 196 CO 0.01 0.56 0.00 0.18 0.09 0.00 0.00 178.44 179.28 2own n LEU 197 N -4.46 0.18 -0.83 1.67 4.77 0.43 -3.53 117.00 115.24 2own n LEU 197 Ca 0.11 0.54 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 2own n LEU 197 Cb 0.16 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 40.87 2own n LEU 197 CO 0.34 -0.24 0.28 1.67 -1.33 0.00 0.00 177.39 178.11 2own n GLN 198 N -1.69 0.94 -3.76 3.23 7.27 -0.97 -0.21 117.38 122.18 2own n GLN 198 Ca 0.04 -2.65 -0.13 0.00 0.07 0.00 0.00 57.00 54.33 2own n GLN 198 Cb 0.24 -1.01 -0.13 0.00 2.41 0.00 0.00 30.24 31.75 2own n GLN 198 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2own s HIS 199 N -1.94 -0.27 0.06 3.69 3.76 -1.13 -1.23 115.29 118.23 2own s HIS 199 Ca 0.33 0.66 0.05 0.00 -0.15 0.00 0.00 55.06 55.96 2own s HIS 199 Cb 0.34 0.05 -0.04 0.00 1.11 0.00 0.00 32.58 34.05 2own s HIS 199 CO -0.09 -0.17 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.04 2own s ASP 200 N 0.72 4.51 0.14 1.40 1.01 -0.61 -4.85 116.67 118.99 2own s ASP 200 Ca -0.05 -0.28 -0.30 0.00 0.71 0.00 0.00 52.55 52.63 2own s ASP 200 Cb -0.06 -0.95 -0.07 0.00 1.01 0.00 0.00 42.92 42.84 2own s ASP 200 CO -0.04 0.22 1.21 -0.76 0.21 0.00 0.00 175.17 176.01 2own s LEU 201 N -1.89 4.42 -0.09 1.23 1.43 -1.26 -0.36 118.68 122.17 2own s LEU 201 Ca 0.20 2.17 -0.04 0.00 -1.03 0.00 0.00 54.13 55.43 2own s LEU 201 Cb -0.11 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2own s LEU 201 CO 0.12 -0.42 -0.11 0.52 0.23 0.00 0.00 176.35 176.69 2own n VAL 202 N 3.02 0.48 -3.76 -1.59 0.31 -0.16 -4.76 118.33 111.87 2own n VAL 202 Ca 0.06 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 2own n VAL 202 Cb 0.45 -1.59 -0.08 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.16 -0.17 -0.04 3.52 5.65 -0.83 -0.52 115.29 120.74 2own s HIS 203 Ca -0.12 0.23 -0.01 0.00 0.25 0.00 0.00 55.06 55.41 2own s HIS 203 Cb 0.05 0.10 0.03 0.00 -1.18 0.00 0.00 32.58 31.58 2own s HIS 203 CO 0.15 -0.41 0.09 0.08 -0.65 0.00 0.00 174.74 174.01 2own s VAL 204 N -1.48 -0.06 -0.09 0.89 1.01 -0.34 -0.48 120.40 119.85 2own s VAL 204 Ca -0.13 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2own s VAL 204 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2own s VAL 204 CO 0.03 0.08 -0.19 -1.81 0.00 0.00 0.00 175.10 173.22 2own s ASP 205 N 1.13 3.57 -0.01 3.32 1.01 -0.31 0.04 116.67 125.42 2own s ASP 205 Ca -0.09 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 52.80 2own s ASP 205 Cb -0.12 -1.19 -0.00 0.00 1.01 0.00 0.00 42.92 42.62 2own s ASP 205 CO -0.04 0.22 -0.09 -0.69 0.21 0.00 0.00 175.17 174.78 2own s VAL 206 N -0.03 0.76 -0.11 -1.27 1.01 0.24 -2.12 120.40 118.89 2own s VAL 206 Ca -0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2own s VAL 206 Cb -0.15 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2own s VAL 206 CO 0.05 0.22 -0.07 -0.13 0.00 0.00 0.00 175.10 175.17 2own s ARG 207 N -0.11 1.46 -0.35 2.72 1.81 -0.35 -1.89 118.95 122.25 2own s ARG 207 Ca 0.02 -0.24 -0.13 0.00 -1.72 0.00 0.00 55.73 53.66 2own s ARG 207 Cb -0.05 -1.52 -0.01 0.00 -0.45 0.00 0.00 34.95 32.91 2own s ARG 207 CO -0.00 -0.25 0.25 0.71 -0.68 0.00 0.00 175.30 175.33 2own s TYR 208 N 1.65 3.23 -0.24 -0.53 2.02 -0.17 -1.47 117.35 121.83 2own s TYR 208 Ca 0.03 -0.23 -0.18 0.00 -0.37 0.00 0.00 57.07 56.32 2own s TYR 208 Cb -0.13 -2.50 -0.16 0.00 -0.40 0.00 0.00 41.96 38.78 2own s TYR 208 CO -0.07 -0.38 -0.04 0.39 -1.57 0.00 0.00 175.55 173.87 2own n GLU 209 N 5.13 0.57 -4.07 -0.62 4.71 -0.46 -4.81 120.64 121.09 2own n GLU 209 Ca -0.12 0.44 -0.16 0.00 -0.01 0.00 0.00 57.16 57.31 2own n GLU 209 Cb 0.49 -1.63 -0.15 0.00 -1.01 0.00 0.00 31.44 29.14 2own n GLU 209 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2own s ASN 210 N -7.10 0.50 0.36 1.62 0.01 -1.10 -4.99 114.94 104.24 2own s ASN 210 Ca -0.33 -0.07 -0.26 0.00 -0.71 0.00 0.00 52.86 51.49 2own s ASN 210 Cb 0.10 -0.12 -0.09 0.00 0.41 0.00 0.00 41.25 41.55 2own s ASN 210 CO 0.54 0.01 1.07 -1.61 -1.51 0.00 0.00 177.10 175.61 2own s GLU 211 N 0.19 4.33 -0.05 -0.60 8.01 -1.26 -4.48 118.70 124.83 2own s GLU 211 Ca -0.02 1.63 -0.09 0.00 0.01 0.00 0.00 54.97 56.50 2own s GLU 211 Cb -0.05 -2.78 -0.05 0.00 -4.31 0.00 0.00 34.13 26.94 2own s GLU 211 CO -0.00 -0.02 0.25 0.08 0.01 0.00 0.00 175.26 175.57 2own s VAL 212 N -1.46 5.31 0.35 2.63 1.01 -1.26 -5.07 120.40 121.90 2own s VAL 212 Ca 0.53 0.41 0.08 0.00 0.00 0.00 0.00 61.98 63.00 2own s VAL 212 Cb -0.26 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2own s VAL 212 CO 0.33 0.55 0.12 -0.54 0.00 0.00 0.00 175.10 175.56 2own s LYS 213 N -1.19 2.30 0.32 2.72 1.02 -1.26 -4.37 119.74 119.28 2own s LYS 213 Ca 0.20 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 2own s LYS 213 Cb -0.14 -2.11 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 2own s LYS 213 CO 0.09 0.10 1.41 -0.47 -0.92 0.00 0.00 175.35 175.56 2own s TYR 214 N -2.46 2.90 0.00 3.18 5.04 -1.26 -2.91 117.35 121.84 2own s TYR 214 Ca 0.37 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 2own s TYR 214 Cb -0.02 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.46 2own s TYR 214 CO 0.22 -2.50 0.00 0.41 -1.34 0.00 0.00 175.55 172.33 2own n GLY 215 N 1.19 2.82 3.81 8.97 0.00 -1.25 -5.05 105.19 115.67 2own n GLY 215 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.52 4.36 -0.30 1.61 -0.21 -1.14 -4.89 119.66 118.57 2own s GLN 216 Ca 0.00 1.19 -0.09 0.00 0.02 0.00 0.00 55.36 56.48 2own s GLN 216 Cb 0.00 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 2own s GLN 216 CO 0.00 0.10 0.12 0.99 -2.12 0.00 0.00 175.29 174.38 2own s THR 217 N -1.95 4.41 0.21 -0.19 2.01 -1.26 -2.20 115.64 116.67 2own s THR 217 Ca 0.57 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 2own s THR 217 Cb -0.13 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.09 2own s THR 217 CO 0.17 0.12 0.53 0.68 -0.69 0.00 0.00 174.62 175.43 2own s VAL 218 N 1.59 4.95 -0.25 3.82 -7.23 0.12 -4.56 120.40 118.84 2own s VAL 218 Ca 0.04 0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 60.66 2own s VAL 218 Cb -0.17 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2own s VAL 218 CO 0.05 -0.02 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.88 2own s THR 219 N -1.76 2.94 -0.21 5.32 2.01 0.10 -0.68 115.64 123.36 2own s THR 219 Ca 0.45 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 2own s THR 219 Cb -0.12 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2own s THR 219 CO 0.21 0.19 0.14 0.00 -0.69 0.00 0.00 174.62 174.47 2own s ALA 220 N 1.33 3.67 0.12 7.40 0.00 -0.24 -1.35 121.76 132.69 2own s ALA 220 Ca 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.33 2own s ALA 220 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2own s ALA 220 CO -0.04 0.06 -0.24 -1.01 0.00 0.00 0.00 175.76 174.53 2own s HIS 221 N 0.55 2.38 -0.17 0.00 3.76 0.76 -1.26 115.29 121.31 2own s HIS 221 Ca 0.08 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 54.51 2own s HIS 221 Cb -0.12 -1.29 0.05 0.00 1.11 0.00 0.00 32.58 32.34 2own s HIS 221 CO -0.00 0.34 0.44 0.00 -0.85 0.00 0.00 174.74 174.67 2own s ALA 222 N -1.07 -1.10 -0.15 -1.40 0.00 0.46 -1.95 121.76 116.55 2own s ALA 222 Ca 0.15 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.51 2own s ALA 222 Cb -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.21 2own s ALA 222 CO 0.07 -0.23 -0.21 -0.80 0.00 0.00 0.00 175.76 174.58 2own s ASN 223 N 0.68 3.09 -0.37 0.00 0.01 -0.36 -0.51 114.94 117.50 2own s ASN 223 Ca -0.04 -0.61 -0.19 0.00 -0.71 0.00 0.00 52.86 51.31 2own s ASN 223 Cb -0.05 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.17 2own s ASN 223 CO -0.05 0.06 0.58 -0.63 -1.51 0.00 0.00 177.10 175.55 2own s ILE 224 N 0.94 4.94 0.15 0.60 1.01 -1.26 -1.49 121.20 126.09 2own s ILE 224 Ca -0.04 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.09 2own s ILE 224 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2own s ILE 224 CO -0.05 -0.31 -0.12 -0.76 0.00 0.00 0.00 174.94 173.70 2own s LEU 225 N 2.57 2.92 0.60 2.97 1.43 0.17 -5.01 118.68 124.33 2own s LEU 225 Ca 0.21 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 2own s LEU 225 Cb -0.15 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2own s LEU 225 CO 0.15 0.14 1.06 -2.16 0.23 0.00 0.00 176.35 175.76 2own s PRO 226 N -2.53 3.30 0.05 1.29 0.04 -1.26 -1.49 135.00 134.39 2own s PRO 226 Ca 0.22 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.53 2own s PRO 226 Cb -0.10 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2own s PRO 226 CO 0.14 -0.83 -0.21 0.45 0.04 0.00 0.00 177.00 176.59 2own s SER 227 N -2.83 2.52 0.47 6.66 0.15 -1.26 -4.56 113.70 114.85 2own s SER 227 Ca 0.63 -0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.01 2own s SER 227 Cb -0.16 -0.20 0.71 0.00 -1.71 0.00 0.00 66.02 64.66 2own s SER 227 CO 0.38 0.16 1.74 -0.33 1.20 0.00 0.00 173.24 176.39 2own h GLU 228 N 4.80 0.00 -6.54 5.44 4.39 -1.98 -3.46 114.58 117.24 2own h GLU 228 Ca -0.43 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.74 2own h GLU 228 Cb 1.16 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2own h GLU 228 CO 0.43 0.05 0.56 0.08 -1.16 0.00 0.00 179.01 178.97 2own s VAL 229 N -3.38 3.88 0.17 3.13 1.01 -1.26 -4.96 120.40 118.99 2own s VAL 229 Ca 0.04 1.42 -0.34 0.00 0.00 0.00 0.00 61.98 63.11 2own s VAL 229 Cb 0.07 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 2own s VAL 229 CO 0.63 0.15 1.51 0.00 0.00 0.00 0.00 175.10 177.39 2own n ALA 230 N 3.49 1.08 -1.61 5.51 0.00 -1.26 -2.41 120.51 125.30 2own n ALA 230 Ca 0.08 0.45 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 2own n ALA 230 Cb 0.46 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 2own n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2own n ASP 231 N 3.05 -5.01 -4.41 0.00 8.00 -1.26 -4.99 116.55 111.93 2own n ASP 231 Ca 0.16 0.35 -0.21 0.00 0.71 0.00 0.00 54.79 55.80 2own n ASP 231 Cb 0.28 -4.00 -0.10 0.00 -0.02 0.00 0.00 41.12 37.28 2own n ASP 231 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2own s GLN 232 N -3.64 1.49 0.05 -1.24 -0.21 -1.01 0.51 119.66 115.62 2own s GLN 232 Ca 0.00 -1.72 -0.01 0.00 0.02 0.00 0.00 55.36 53.65 2own s GLN 232 Cb 0.00 -1.21 -0.04 0.00 1.00 0.00 0.00 33.01 32.76 2own s GLN 232 CO 0.00 0.12 -0.03 0.14 -2.12 0.00 0.00 175.29 173.39 2own s VAL 233 N -2.95 0.26 -0.03 1.09 -7.23 -0.71 -4.11 120.40 106.72 2own s VAL 233 Ca 0.27 -1.77 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 2own s VAL 233 Cb 0.01 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 2own s VAL 233 CO 0.10 -0.96 -0.22 -0.89 -0.31 0.00 0.00 175.10 172.82 2own s THR 234 N -3.75 1.78 -0.11 5.32 2.01 -0.56 -1.15 115.64 119.19 2own s THR 234 Ca 0.06 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2own s THR 234 Cb 0.07 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2own s THR 234 CO -0.09 0.50 -0.23 0.42 -0.69 0.00 0.00 174.62 174.53 2own s THR 235 N -0.34 2.04 -0.21 -0.82 -4.23 -0.13 0.43 115.64 112.38 2own s THR 235 Ca 0.04 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.49 2own s THR 235 Cb -0.10 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 2own s THR 235 CO 0.01 0.55 0.03 -0.55 -0.54 0.00 0.00 174.62 174.12 2own s SER 236 N 0.45 4.98 0.15 3.99 0.15 -0.55 -0.83 113.70 122.04 2own s SER 236 Ca -0.16 -0.18 0.10 0.00 0.70 0.00 0.00 55.95 56.40 2own s SER 236 Cb -0.17 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 2own s SER 236 CO 0.06 0.04 -0.22 -1.00 1.20 0.00 0.00 173.24 173.32 2own s HIS 237 N 1.16 2.05 -0.09 3.44 3.76 0.24 -1.22 115.29 124.62 2own s HIS 237 Ca 0.03 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2own s HIS 237 Cb -0.14 -1.06 0.05 0.00 1.11 0.00 0.00 32.58 32.53 2own s HIS 237 CO 0.02 0.36 0.20 -1.17 -0.85 0.00 0.00 174.74 173.30 2own s LEU 238 N -2.39 0.38 -0.18 0.89 2.96 -0.82 -1.48 118.68 118.04 2own s LEU 238 Ca 0.15 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2own s LEU 238 Cb -0.08 0.53 -0.02 0.00 0.50 0.00 0.00 46.19 47.12 2own s LEU 238 CO 0.07 -0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.23 2own s ILE 239 N 1.50 3.50 0.10 6.68 -1.09 0.67 -0.17 121.20 132.39 2own s ILE 239 Ca -0.06 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 2own s ILE 239 Cb -0.11 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2own s ILE 239 CO -0.07 0.46 -0.08 -1.83 -1.23 0.00 0.00 174.94 172.19 2own s GLU 240 N 0.88 0.83 -0.49 2.79 -1.05 -0.46 -0.82 118.70 120.38 2own s GLU 240 Ca -0.01 -1.25 0.03 0.00 -0.15 0.00 0.00 54.97 53.58 2own s GLU 240 Cb -0.15 -0.33 0.15 0.00 -0.44 0.00 0.00 34.13 33.36 2own s GLU 240 CO 0.01 0.02 0.30 0.08 0.95 0.00 0.00 175.26 176.62 2own s VAL 241 N -3.12 1.64 -0.71 1.83 1.01 -0.90 0.01 120.40 120.16 2own s VAL 241 Ca 0.09 -2.97 -0.02 0.00 0.00 0.00 0.00 61.98 59.09 2own s VAL 241 Cb 0.02 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2own s VAL 241 CO -0.03 -0.96 0.65 -0.90 0.00 0.00 0.00 175.10 173.86 2own n ASP 242 N 3.10 -6.54 -3.50 3.32 5.75 -1.26 -4.09 116.55 113.33 2own n ASP 242 Ca 0.13 -0.24 -0.19 0.00 -0.01 0.00 0.00 54.79 54.49 2own n ASP 242 Cb 0.36 -4.56 0.07 0.00 -1.03 0.00 0.00 41.12 35.96 2own n ASP 242 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2own n ASP 243 N -2.08 -2.62 -3.61 -1.12 8.00 -1.26 -5.03 116.55 108.82 2own n ASP 243 Ca -0.02 -0.72 -0.05 0.00 0.71 0.00 0.00 54.79 54.72 2own n ASP 243 Cb 0.53 -4.72 -0.07 0.00 -0.02 0.00 0.00 41.12 36.85 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 -5.44 0.44 0.06 -1.24 2.12 -1.26 -5.15 118.70 108.24 2own s GLU 244 Ca 0.09 1.18 -0.31 0.00 0.36 0.00 0.00 54.97 56.29 2own s GLU 244 Cb -0.02 0.52 -0.08 0.00 0.26 0.00 0.00 34.13 34.82 2own s GLU 244 CO 0.76 -0.27 1.59 0.15 -0.54 0.00 0.00 175.26 176.96 2own s LYS 245 N 2.74 4.22 -0.20 4.30 1.02 -1.26 -2.11 119.74 128.44 2own s LYS 245 Ca -0.01 2.25 -0.04 0.00 0.02 0.00 0.00 55.97 58.19 2own s LYS 245 Cb -0.12 -3.57 -0.11 0.00 -0.52 0.00 0.00 37.83 33.50 2own s LYS 245 CO -0.16 -0.69 -0.22 0.00 -0.92 0.00 0.00 175.35 173.36 2own s GLU 248 N 1.19 3.23 -0.00 0.00 2.02 -0.55 -0.24 118.70 124.36 2own s GLU 248 Ca -0.08 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.16 2own s GLU 248 Cb -0.07 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2own s GLU 248 CO -0.10 0.11 -0.02 0.08 0.02 0.00 0.00 175.26 175.34 2own s VAL 249 N 0.58 0.20 -0.10 2.63 1.01 -0.55 -1.21 120.40 122.95 2own s VAL 249 Ca -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2own s VAL 249 Cb -0.16 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.05 2own s VAL 249 CO 0.03 0.06 -0.16 -0.89 0.00 0.00 0.00 175.10 174.14 2own s THR 250 N 0.02 1.56 -0.07 3.92 2.01 -0.90 0.80 115.64 122.97 2own s THR 250 Ca 0.00 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2own s THR 250 Cb -0.02 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2own s THR 250 CO -0.00 0.45 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.51 2own s ILE 251 N 0.84 2.00 -0.19 1.82 1.01 -0.01 -1.16 121.20 125.51 2own s ILE 251 Ca -0.10 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 2own s ILE 251 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2own s ILE 251 CO 0.01 0.55 0.07 -1.10 0.00 0.00 0.00 174.94 174.47 2own s GLN 252 N 0.03 4.00 0.14 2.79 -1.52 0.36 -0.95 119.66 124.51 2own s GLN 252 Ca -0.09 -0.33 0.09 0.00 -1.95 0.00 0.00 55.36 53.09 2own s GLN 252 Cb -0.15 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 2own s GLN 252 CO 0.05 0.27 -0.21 -1.58 -0.25 0.00 0.00 175.29 173.57 2own s TRP 253 N 0.40 1.91 -0.21 0.91 0.52 -0.30 -0.99 118.94 121.18 2own s TRP 253 Ca 0.04 -0.42 -0.08 0.00 0.02 0.00 0.00 56.10 55.66 2own s TRP 253 Cb -0.12 -1.00 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 2own s TRP 253 CO -0.00 0.29 0.08 0.50 0.02 0.00 0.00 176.95 177.84 2own s ARG 254 N -2.31 3.88 -0.12 4.98 3.52 0.52 -1.74 118.95 127.69 2own s ARG 254 Ca 0.12 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 2own s ARG 254 Cb -0.08 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 2own s ARG 254 CO 0.06 0.10 1.13 0.99 -0.81 0.00 0.00 175.30 176.77 2own s THR 255 N 0.86 4.48 0.33 4.11 2.01 0.18 -1.58 115.64 126.03 2own s THR 255 Ca 0.04 1.78 -0.21 0.00 0.31 0.00 0.00 61.69 63.61 2own s THR 255 Cb -0.14 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 2own s THR 255 CO 0.03 -0.05 0.86 -0.76 -0.69 0.00 0.00 174.62 174.00 2own s LEU 256 N 2.52 4.19 0.26 4.42 1.43 -0.36 -4.90 118.68 126.24 2own s LEU 256 Ca 0.52 1.61 -0.03 0.00 -1.03 0.00 0.00 54.13 55.19 2own s LEU 256 Cb -0.21 -4.06 0.38 0.00 0.03 0.00 0.00 46.19 42.33 2own s LEU 256 CO 0.17 -0.14 1.89 -0.65 0.23 0.00 0.00 176.35 177.84 2own h PRO 257 N 2.75 1.15 -5.20 1.29 0.11 -1.96 -3.44 132.00 126.69 2own h PRO 257 Ca -0.48 -0.07 -0.37 0.00 0.11 0.00 0.00 66.00 65.19 2own h PRO 257 Cb 1.19 -0.26 -0.18 0.00 0.11 0.00 0.00 31.00 31.85 2own h PRO 257 CO 0.64 0.76 -0.75 -1.21 -0.21 0.00 0.00 178.00 177.23 2own s GLU 258 N -6.05 0.92 0.55 1.05 2.02 -1.26 -5.15 118.70 110.78 2own s GLU 258 Ca -0.13 -1.17 -0.19 0.00 0.02 0.00 0.00 54.97 53.51 2own s GLU 258 Cb 0.20 -0.73 -0.05 0.00 0.10 0.00 0.00 34.13 33.64 2own s GLU 258 CO 0.81 0.13 1.10 -2.14 0.02 0.00 0.00 175.26 175.18 2own s PRO 259 N -2.62 3.38 -0.10 0.39 0.02 -1.26 -4.80 135.00 130.00 2own s PRO 259 Ca 0.06 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.26 2own s PRO 259 Cb -0.05 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 2own s PRO 259 CO 0.02 -0.80 0.99 0.42 -0.33 0.00 0.00 177.00 177.29 2own s ILE 260 N -1.98 4.80 -2.00 2.83 1.01 0.70 -4.99 121.20 121.57 2own s ILE 260 Ca 0.70 2.01 0.10 0.00 0.00 0.00 0.00 60.65 63.45 2own s ILE 260 Cb -0.21 -4.30 0.27 0.00 0.01 0.00 0.00 42.46 38.24 2own s ILE 260 CO 0.28 0.02 1.01 0.00 0.00 0.00 0.00 174.94 176.26