#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0r s LEU 8 N 0.00 3.90 -0.12 7.52 2.96 -0.68 -4.97 118.68 127.30 1u0r s LEU 8 Ca 0.00 2.27 -0.03 0.00 -0.22 0.00 0.00 54.13 56.15 1u0r s LEU 8 Cb 0.00 -4.38 0.04 0.00 0.50 0.00 0.00 46.19 42.36 1u0r s LEU 8 CO 0.00 -1.05 0.04 -0.22 -1.32 0.00 0.00 176.35 173.80 1u0r s LEU 9 N -3.35 0.59 -0.17 -0.68 2.96 -1.26 -1.59 118.68 115.18 1u0r s LEU 9 Ca 0.67 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1u0r s LEU 9 Cb -0.27 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1u0r s LEU 9 CO 0.32 -0.27 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.31 1u0r s VAL 10 N 2.02 3.34 0.28 1.68 1.01 -0.10 -5.00 120.40 123.64 1u0r s VAL 10 Ca 0.03 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1u0r s VAL 10 Cb -0.14 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1u0r s VAL 10 CO -0.06 0.48 -0.11 0.68 0.00 0.00 0.00 175.10 176.08 1u0r s VAL 11 N 0.84 1.95 0.26 2.92 -7.23 -1.26 -1.41 120.40 116.47 1u0r s VAL 11 Ca -0.02 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1u0r s VAL 11 Cb -0.15 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1u0r s VAL 11 CO 0.01 -0.36 0.00 1.57 -0.31 0.00 0.00 175.10 176.01 1u0r n HIS 12 N -0.60 -1.84 -1.24 2.82 -0.00 -0.67 -4.97 115.22 108.72 1u0r n HIS 12 Ca -0.06 0.98 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 1u0r n HIS 12 Cb 0.62 -1.68 -0.10 0.00 -0.00 0.00 0.00 29.99 28.83 1u0r n HIS 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1u0r n ALA 18 N -2.94 0.77 -1.42 1.57 0.00 -1.26 -4.93 120.51 112.31 1u0r n ALA 18 Ca -0.03 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.23 1u0r n ALA 18 Cb 0.52 -1.45 0.14 0.00 0.00 0.00 0.00 19.45 18.65 1u0r n ALA 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u0r n THR 19 N 5.13 3.09 -0.29 0.00 -1.04 -1.26 -4.66 114.28 115.25 1u0r n THR 19 Ca 0.32 -2.72 0.11 0.00 -2.04 0.00 0.00 64.05 59.72 1u0r n THR 19 Cb 0.34 -0.72 0.29 0.00 -1.82 0.00 0.00 70.33 68.42 1u0r n THR 19 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1u0r n GLU 20 N -1.02 2.72 0.00 -2.82 0.28 -1.26 -3.44 120.64 115.09 1u0r n GLU 20 Ca 0.52 -2.54 0.04 0.00 -0.16 0.00 0.00 57.16 55.02 1u0r n GLU 20 Cb 1.13 -1.52 0.24 0.00 1.43 0.00 0.00 31.44 32.72 1u0r n GLU 20 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1u0r n THR 21 N 1.46 0.00 0.01 3.84 -2.24 -1.26 -2.49 114.28 113.60 1u0r n THR 21 Ca 0.22 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.03 1u0r n THR 21 Cb 0.59 -0.69 0.39 0.00 -2.10 0.00 0.00 70.33 68.52 1u0r n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u0r h ALA 22 N 2.43 1.61 -0.00 6.98 0.00 -1.96 -3.20 119.26 125.12 1u0r h ALA 22 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1u0r h ALA 22 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u0r h ALA 22 CO 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.53 1u0r h ARG 23 N 0.52 0.03 0.00 0.00 3.08 -1.81 -3.17 114.38 113.03 1u0r h ARG 23 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1u0r h ARG 23 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1u0r h ARG 23 CO -0.02 0.79 0.21 0.54 -1.07 0.00 0.00 179.97 180.42 1u0r n ARG 24 N -4.69 0.02 0.02 0.04 1.74 -1.21 -0.06 116.66 112.53 1u0r n ARG 24 Ca -0.09 0.38 -0.22 0.00 -0.77 0.00 0.00 57.85 57.15 1u0r n ARG 24 Cb 0.39 -1.78 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 1u0r n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u0r h VAL 25 N 0.00 0.97 -0.02 1.55 2.07 -1.60 -3.29 116.25 115.94 1u0r h VAL 25 Ca 0.00 -2.42 -0.15 0.00 0.82 0.00 0.00 66.70 64.95 1u0r h VAL 25 Cb 0.42 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1u0r h VAL 25 CO 0.00 0.75 -0.69 -0.33 0.02 0.00 0.00 177.57 177.32 1u0r h GLU 26 N -0.18 0.10 0.38 1.57 5.08 -0.53 -2.65 114.58 118.35 1u0r h GLU 26 Ca -0.33 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1u0r h GLU 26 Cb 1.86 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.10 1u0r h GLU 26 CO 0.09 0.75 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.12 1u0r h LYS 27 N 0.07 -0.88 0.00 2.33 1.63 -1.14 -2.74 116.57 115.84 1u0r h LYS 27 Ca -0.01 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1u0r h LYS 27 Cb 1.23 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1u0r h LYS 27 CO 0.10 -0.59 0.00 0.28 -3.45 0.00 0.00 179.45 175.79 1u0r h VAL 28 N -0.91 0.00 0.17 2.00 2.07 -1.62 -2.81 116.25 115.15 1u0r h VAL 28 Ca -0.05 -0.45 -0.33 0.00 0.82 0.00 0.00 66.70 66.70 1u0r h VAL 28 Cb 0.82 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1u0r h VAL 28 CO -0.13 0.00 -1.57 -0.07 0.02 0.00 0.00 177.57 175.82 1u0r h LEU 29 N 0.00 0.58 -0.15 2.57 4.07 -1.41 -3.25 115.31 117.71 1u0r h LEU 29 Ca 0.00 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.21 1u0r h LEU 29 Cb 0.66 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1u0r h LEU 29 CO 0.00 1.62 -0.09 0.61 -1.08 0.00 0.00 178.44 179.49 1u0r n GLY 30 N 1.73 -1.06 0.24 0.83 0.00 -1.04 -2.53 105.19 103.36 1u0r n GLY 30 Ca -0.19 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.73 1u0r n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0r h ASP 31 N 0.38 0.00 0.00 1.61 5.19 -1.53 -3.51 116.42 118.56 1u0r h ASP 31 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1u0r h ASP 31 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1u0r h ASP 31 CO 0.00 0.09 -0.53 0.59 -3.12 0.00 0.00 179.24 176.27 1u0r n ASN 32 N -3.17 1.94 0.00 6.45 3.02 -1.05 -5.10 115.26 117.34 1u0r n ASN 32 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1u0r n ASN 32 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1u0r n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1u0r n ASP 69 N -2.10 0.00 -4.59 6.41 -0.08 -1.26 -4.93 116.55 110.01 1u0r n ASP 69 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 1u0r n ASP 69 Cb 0.27 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.70 1u0r n ASP 69 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1u0r s GLN 70 N 0.00 3.22 0.00 -0.67 1.11 -1.26 -3.72 119.66 118.33 1u0r s GLN 70 Ca 0.00 1.33 0.00 0.00 0.01 0.00 0.00 55.36 56.70 1u0r s GLN 70 Cb 0.00 -4.23 0.00 0.00 -1.01 0.00 0.00 33.01 27.77 1u0r s GLN 70 CO 0.00 -2.00 0.00 1.58 0.01 0.00 0.00 175.29 174.88 1u0r n HIS 71 N 10.74 0.00 -1.16 0.91 -0.00 -1.26 -4.86 115.22 119.58 1u0r n HIS 71 Ca 0.23 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.47 1u0r n HIS 71 Cb 0.48 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.56 1u0r n HIS 71 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1u0r n ALA 72 N 0.00 3.17 0.44 1.57 0.00 -1.26 -4.81 120.51 119.62 1u0r n ALA 72 Ca 0.00 -2.66 0.01 0.00 0.00 0.00 0.00 53.44 50.79 1u0r n ALA 72 Cb 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 19.45 18.88 1u0r n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u0r n ALA 73 N -0.94 1.73 -1.00 0.00 0.00 -1.24 -4.00 120.51 115.06 1u0r n ALA 73 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1u0r n ALA 73 Cb 0.85 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1u0r n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1u0r n ASP 74 N -0.61 0.00 0.00 0.00 5.75 -1.26 -4.72 116.55 115.71 1u0r n ASP 74 Ca 0.01 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1u0r n ASP 74 Cb 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1u0r n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u0r n GLY 75 N 1.05 0.00 0.00 6.12 0.00 -1.26 -4.75 105.19 106.36 1u0r n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u0r n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0r n GLU 77 N -0.58 2.07 -3.93 0.00 0.28 -1.26 -4.98 120.64 112.23 1u0r n GLU 77 Ca 0.00 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.89 1u0r n GLU 77 Cb 0.00 -1.30 -0.10 0.00 1.43 0.00 0.00 31.44 31.48 1u0r n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1u0r s LEU 78 N -4.82 1.84 -0.13 -1.84 2.96 -1.26 -4.23 118.68 111.20 1u0r s LEU 78 Ca -0.06 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1u0r s LEU 78 Cb 0.04 0.52 -0.02 0.00 0.50 0.00 0.00 46.19 47.23 1u0r s LEU 78 CO 0.47 -0.44 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.28 1u0r s VAL 79 N -2.16 3.44 -0.12 1.68 1.01 -0.65 -1.69 120.40 121.90 1u0r s VAL 79 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1u0r s VAL 79 Cb -0.04 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1u0r s VAL 79 CO -0.03 0.52 -0.16 -0.22 0.00 0.00 0.00 175.10 175.22 1u0r s LEU 80 N 0.25 2.57 -0.14 3.92 2.96 -0.62 -1.00 118.68 126.62 1u0r s LEU 80 Ca -0.06 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1u0r s LEU 80 Cb -0.15 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1u0r s LEU 80 CO 0.04 0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 1u0r s VAL 81 N 0.34 2.73 -0.35 1.68 1.01 0.10 -0.92 120.40 124.99 1u0r s VAL 81 Ca -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1u0r s VAL 81 Cb -0.16 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.15 1u0r s VAL 81 CO 0.06 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.04 1u0r s LEU 82 N 0.57 4.53 0.00 3.92 1.43 -0.50 0.32 118.68 128.95 1u0r s LEU 82 Ca -0.09 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1u0r s LEU 82 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1u0r s LEU 82 CO 0.04 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1u0r n GLY 83 N 4.69 -0.61 3.70 -3.19 0.00 -0.40 -1.67 105.19 107.70 1u0r n GLY 83 Ca -0.09 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1u0r n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0r n GLY 84 N 0.00 1.92 0.37 -0.02 0.00 -1.26 -3.14 105.19 103.06 1u0r n GLY 84 Ca 0.00 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.94 1u0r n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0r h ASP 85 N 0.07 0.67 -0.37 1.61 5.19 -1.97 -0.64 116.42 120.99 1u0r h ASP 85 Ca -0.26 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.12 1u0r h ASP 85 Cb 1.18 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1u0r h ASP 85 CO 0.37 0.29 -0.15 1.23 -3.12 0.00 0.00 179.24 177.85 1u0r h GLY 86 N 0.68 0.81 0.91 2.75 0.00 -1.99 -2.24 103.07 104.00 1u0r h GLY 86 Ca 0.51 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1u0r h GLY 86 CO -0.27 0.65 0.02 -0.84 0.00 0.00 0.00 176.54 176.09 1u0r h THR 87 N 0.54 0.96 -0.38 4.70 2.02 -1.64 -2.05 112.91 117.06 1u0r h THR 87 Ca 0.09 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.33 1u0r h THR 87 Cb 0.69 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 1u0r h THR 87 CO 0.05 0.01 -0.21 0.15 0.37 0.00 0.00 175.52 175.89 1u0r h PHE 88 N 0.05 -0.54 -0.79 3.16 3.57 -1.08 0.16 116.94 121.48 1u0r h PHE 88 Ca 0.04 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.76 1u0r h PHE 88 Cb 0.03 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1u0r h PHE 88 CO -0.11 -0.29 0.53 -0.07 -2.23 0.00 0.00 178.31 176.15 1u0r h LEU 89 N -0.15 0.33 -0.13 0.59 3.38 -1.04 -1.02 115.31 117.28 1u0r h LEU 89 Ca 0.19 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1u0r h LEU 89 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1u0r h LEU 89 CO -0.47 0.16 -0.05 -0.09 0.09 0.00 0.00 178.44 178.08 1u0r h ARG 90 N 0.35 0.26 0.06 1.13 1.12 -0.04 -2.99 114.38 114.26 1u0r h ARG 90 Ca 0.39 -0.11 -0.00 0.00 -1.11 0.00 0.00 59.98 59.15 1u0r h ARG 90 Cb 1.02 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 1u0r h ARG 90 CO -0.12 0.59 -0.03 0.00 -3.11 0.00 0.00 179.97 177.30 1u0r h ALA 91 N 0.66 -0.07 -0.89 2.80 0.00 -0.38 -2.67 119.26 118.70 1u0r h ALA 91 Ca 0.03 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1u0r h ALA 91 Cb 0.50 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.15 1u0r h ALA 91 CO 0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 179.25 178.57 1u0r h ALA 92 N 0.87 0.71 -0.86 0.00 0.00 -1.23 0.48 119.26 119.23 1u0r h ALA 92 Ca -0.01 0.33 0.13 0.00 0.00 0.00 0.00 54.91 55.37 1u0r h ALA 92 Cb 0.06 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 1u0r h ALA 92 CO 0.01 -0.43 -0.33 -1.91 0.00 0.00 0.00 179.25 176.59 1u0r n GLU 93 N -5.53 -0.20 -0.03 0.00 2.13 -1.01 -0.90 120.64 115.09 1u0r n GLU 93 Ca 0.15 1.32 -0.15 0.00 0.66 0.00 0.00 57.16 59.14 1u0r n GLU 93 Cb 0.51 -1.95 -0.10 0.00 0.27 0.00 0.00 31.44 30.17 1u0r n GLU 93 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1u0r h LEU 94 N 0.00 0.30 -0.81 4.31 3.38 -0.14 -2.99 115.31 119.36 1u0r h LEU 94 Ca 0.30 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1u0r h LEU 94 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1u0r h LEU 94 CO -0.85 0.90 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1u0r n ALA 95 N -2.49 1.14 0.27 1.53 0.00 0.06 -3.49 120.51 117.52 1u0r n ALA 95 Ca -0.08 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1u0r n ALA 95 Cb 0.46 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1u0r n ALA 95 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1u0r h ARG 96 N 0.00 -0.70 -0.46 0.00 9.65 -0.86 -1.90 114.38 120.10 1u0r h ARG 96 Ca 0.00 0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1u0r h ARG 96 Cb 0.06 0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 1u0r h ARG 96 CO 0.00 -0.47 0.24 -0.91 2.80 0.00 0.00 179.97 181.63 1u0r h ASN 97 N -1.10 0.34 -2.10 -3.80 2.35 -1.70 -1.00 115.58 108.58 1u0r h ASN 97 Ca -0.07 0.02 -0.74 0.00 -0.55 0.00 0.00 56.30 54.96 1u0r h ASN 97 Cb 0.56 -0.04 -0.31 0.00 0.05 0.00 0.00 38.32 38.57 1u0r h ASN 97 CO 0.12 0.24 0.60 0.00 -1.65 0.00 0.00 177.43 176.74 1u0r n ALA 98 N -2.30 5.90 -0.28 -0.83 0.00 -1.26 -5.00 120.51 116.73 1u0r n ALA 98 Ca 0.03 -4.44 0.00 0.00 0.00 0.00 0.00 53.44 49.03 1u0r n ALA 98 Cb 0.11 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1u0r n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u0r n SER 99 N -0.29 0.00 -4.37 0.00 3.41 -0.38 -4.89 113.62 107.10 1u0r n SER 99 Ca 0.46 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.88 1u0r n SER 99 Cb 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1u0r n SER 99 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1u0r s ILE 100 N -0.03 1.44 0.86 -1.33 -4.36 -0.76 -5.03 121.20 111.98 1u0r s ILE 100 Ca 0.00 -2.10 -0.11 0.00 -0.26 0.00 0.00 60.65 58.17 1u0r s ILE 100 Cb 0.00 -2.31 0.11 0.00 1.25 0.00 0.00 42.46 41.51 1u0r s ILE 100 CO 0.00 -0.39 1.16 -2.84 0.24 0.00 0.00 174.94 173.12 1u0r s PRO 101 N -3.76 1.39 0.05 0.37 0.02 -1.26 -4.43 135.00 127.38 1u0r s PRO 101 Ca 0.27 1.60 0.08 0.00 0.02 0.00 0.00 61.00 62.97 1u0r s PRO 101 Cb 0.04 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.76 1u0r s PRO 101 CO 0.09 -2.36 -0.22 0.08 -0.33 0.00 0.00 177.00 174.25 1u0r s VAL 102 N -2.47 1.80 0.05 3.83 1.01 -0.74 -1.64 120.40 122.24 1u0r s VAL 102 Ca 0.69 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1u0r s VAL 102 Cb -0.24 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1u0r s VAL 102 CO 0.54 0.24 -0.08 -0.22 0.00 0.00 0.00 175.10 175.59 1u0r s LEU 103 N -1.21 2.29 -0.02 3.92 2.96 -0.17 -0.56 118.68 125.89 1u0r s LEU 103 Ca 0.09 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1u0r s LEU 103 Cb -0.09 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.45 1u0r s LEU 103 CO 0.02 -0.23 0.00 -0.83 -1.32 0.00 0.00 176.35 173.99 1u0r s GLY 104 N -1.78 0.17 -0.17 7.98 0.00 -1.26 0.03 107.32 112.29 1u0r s GLY 104 Ca -0.07 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.82 1u0r s GLY 104 CO -0.00 0.48 -0.20 0.14 0.00 0.00 0.00 173.10 173.52 1u0r s VAL 105 N 0.81 2.10 -0.54 1.40 1.01 0.15 -1.13 120.40 124.19 1u0r s VAL 105 Ca -0.08 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1u0r s VAL 105 Cb -0.11 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1u0r s VAL 105 CO -0.02 0.54 1.52 0.21 0.00 0.00 0.00 175.10 177.35 1u0r s ASN 106 N 1.16 5.98 0.00 3.32 3.84 -0.13 -1.27 114.94 127.84 1u0r s ASN 106 Ca 0.02 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.48 1u0r s ASN 106 Cb -0.14 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 1u0r s ASN 106 CO -0.10 -1.80 0.00 0.18 -2.79 0.00 0.00 177.10 172.59 1u0r n LEU 107 N 10.10 0.64 0.00 3.21 4.77 -1.19 -2.03 117.00 132.50 1u0r n LEU 107 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1u0r n LEU 107 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1u0r n LEU 107 CO 0.71 0.00 0.11 0.61 -1.33 0.00 0.00 177.39 177.48 1u0r n GLY 108 N 2.89 -2.62 0.00 -0.72 0.00 -1.26 -4.83 105.19 98.65 1u0r n GLY 108 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1u0r n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0r n ARG 109 N -0.23 1.59 -4.06 1.61 5.12 -1.26 -5.08 116.66 114.34 1u0r n ARG 109 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1u0r n ARG 109 Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 1u0r n ARG 109 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1u0r s ILE 110 N 0.73 2.00 0.00 0.55 1.09 -1.26 -4.94 121.20 119.37 1u0r s ILE 110 Ca 0.00 -1.36 0.00 0.00 -1.10 0.00 0.00 60.65 58.19 1u0r s ILE 110 Cb 0.00 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.34 1u0r s ILE 110 CO 0.00 0.11 0.00 0.61 -0.10 0.00 0.00 174.94 175.56 1u0r n GLY 111 N 4.53 4.61 0.00 6.18 0.00 -1.26 -4.90 105.19 114.36 1u0r n GLY 111 Ca -0.15 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1u0r n GLY 111 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u0r n PHE 112 N 0.00 0.00 -0.05 1.61 3.72 -1.26 -4.85 117.46 116.63 1u0r n PHE 112 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1u0r n PHE 112 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 1u0r n PHE 112 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1u0r n LEU 113 N -1.54 1.22 -4.77 4.37 4.77 -1.26 -4.93 117.00 114.86 1u0r n LEU 113 Ca 0.00 0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 1u0r n LEU 113 Cb 0.24 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1u0r n LEU 113 CO 0.00 0.57 0.86 0.00 -1.33 0.00 0.00 177.39 177.49 1u0r s ALA 114 N -2.55 3.12 -2.03 -1.18 0.00 -1.26 -4.77 121.76 113.08 1u0r s ALA 114 Ca -0.13 1.00 0.19 0.00 0.00 0.00 0.00 51.96 53.02 1u0r s ALA 114 Cb 0.07 -3.40 0.32 0.00 0.00 0.00 0.00 23.12 20.11 1u0r s ALA 114 CO 0.79 -0.62 1.25 0.39 0.00 0.00 0.00 175.76 177.58 1u0r n GLU 115 N -0.06 2.15 -3.49 0.00 -0.58 -0.29 -4.93 120.64 113.44 1u0r n GLU 115 Ca 0.05 -1.99 -0.15 0.00 -0.42 0.00 0.00 57.16 54.65 1u0r n GLU 115 Cb 0.46 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.88 1u0r n GLU 115 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u0r s ALA 116 N -1.33 -1.73 0.84 0.62 0.00 -1.19 -4.34 121.76 114.63 1u0r s ALA 116 Ca 0.30 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 1u0r s ALA 116 Cb 0.18 0.26 0.10 0.00 0.00 0.00 0.00 23.12 23.65 1u0r s ALA 116 CO 0.25 -0.51 1.12 -2.00 0.00 0.00 0.00 175.76 174.61 1u0r s GLU 117 N -2.14 1.71 -0.01 0.00 2.56 -1.26 -0.95 118.70 118.61 1u0r s GLU 117 Ca -0.05 0.48 -0.24 0.00 0.00 0.00 0.00 54.97 55.15 1u0r s GLU 117 Cb -0.00 -1.89 -0.17 0.00 2.00 0.00 0.00 34.13 34.06 1u0r s GLU 117 CO 0.01 -1.84 1.17 0.00 -0.56 0.00 0.00 175.26 174.03 1u0r h ALA 118 N -1.25 -0.23 0.00 6.30 0.00 -1.73 -3.27 119.26 119.08 1u0r h ALA 118 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1u0r h ALA 118 Cb 1.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1u0r h ALA 118 CO 0.61 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.84 1u0r n GLU 119 N -4.99 0.00 -1.19 0.00 4.71 -1.26 -0.44 120.64 117.47 1u0r n GLU 119 Ca -0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1u0r n GLU 119 Cb 0.25 -0.97 -0.01 0.00 -1.01 0.00 0.00 31.44 29.70 1u0r n GLU 119 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1u0r n ALA 120 N 0.48 2.79 0.24 0.62 0.00 -1.23 -4.95 120.51 118.45 1u0r n ALA 120 Ca 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 53.44 51.98 1u0r n ALA 120 Cb 0.00 -0.54 0.57 0.00 0.00 0.00 0.00 19.45 19.49 1u0r n ALA 120 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1u0r h ILE 121 N 6.20 1.06 0.46 0.00 6.09 -0.91 -3.05 117.51 127.35 1u0r h ILE 121 Ca -0.31 -0.28 -0.02 0.00 -1.37 0.00 0.00 64.86 62.88 1u0r h ILE 121 Cb 1.64 1.13 0.00 0.00 0.47 0.00 0.00 36.82 40.07 1u0r h ILE 121 CO -0.05 0.08 -0.22 0.44 -3.07 0.00 0.00 178.15 175.33 1u0r h ASP 122 N 0.02 -0.52 0.00 2.19 5.19 -1.93 -1.85 116.42 119.52 1u0r h ASP 122 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1u0r h ASP 122 Cb 0.14 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1u0r h ASP 122 CO 0.01 -0.12 0.25 0.00 -3.12 0.00 0.00 179.24 176.27 1u0r n ALA 123 N -2.62 0.57 -0.08 3.45 0.00 -1.18 0.60 120.51 121.25 1u0r n ALA 123 Ca -0.10 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1u0r n ALA 123 Cb 0.29 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 1u0r n ALA 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u0r n VAL 124 N -1.52 1.61 -0.15 0.00 0.31 -1.14 -4.20 118.33 113.25 1u0r n VAL 124 Ca -0.00 -0.37 -0.05 0.00 -0.01 0.00 0.00 64.34 63.91 1u0r n VAL 124 Cb 0.26 -1.84 0.04 0.00 -0.91 0.00 0.00 33.84 31.39 1u0r n VAL 124 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1u0r h LEU 125 N -0.51 0.34 -0.93 7.52 3.38 0.10 0.14 115.31 125.35 1u0r h LEU 125 Ca -0.46 0.02 0.31 0.00 0.09 0.00 0.00 57.88 57.84 1u0r h LEU 125 Cb 1.68 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 42.22 1u0r h LEU 125 CO -0.13 0.24 0.22 -0.62 0.09 0.00 0.00 178.44 178.24 1u0r n GLU 126 N -4.90 -0.07 0.05 1.13 4.71 -0.50 -0.01 120.64 121.06 1u0r n GLU 126 Ca 0.03 1.34 -0.09 0.00 -0.01 0.00 0.00 57.16 58.44 1u0r n GLU 126 Cb 0.12 -2.25 -0.13 0.00 -1.01 0.00 0.00 31.44 28.17 1u0r n GLU 126 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1u0r h HIS 127 N 0.00 0.07 -0.19 -0.32 3.86 -0.99 -1.61 115.15 115.96 1u0r h HIS 127 Ca 0.66 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.80 1u0r h HIS 127 Cb 1.54 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 1u0r h HIS 127 CO -0.28 1.05 0.08 0.28 0.86 0.00 0.00 177.93 179.91 1u0r h VAL 128 N 0.01 1.16 0.58 2.45 2.07 0.14 -1.70 116.25 120.95 1u0r h VAL 128 Ca -0.08 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1u0r h VAL 128 Cb 1.84 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1u0r h VAL 128 CO 0.13 0.15 -0.42 0.58 0.02 0.00 0.00 177.57 178.03 1u0r h VAL 129 N 0.16 0.16 0.00 2.57 2.07 -1.02 -3.11 116.25 117.07 1u0r h VAL 129 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1u0r h VAL 129 Cb 0.17 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1u0r h VAL 129 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 1u0r h ALA 130 N -0.70 1.00 -0.39 1.67 0.00 -1.22 -3.45 119.26 116.18 1u0r h ALA 130 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1u0r h ALA 130 Cb 0.80 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1u0r h ALA 130 CO 0.03 0.00 -0.15 1.04 0.00 0.00 0.00 179.25 180.17 1u0r n GLN 131 N -2.31 -1.61 0.05 0.00 1.13 -0.65 -4.83 117.38 109.16 1u0r n GLN 131 Ca -0.01 0.76 0.12 0.00 -1.94 0.00 0.00 57.00 55.92 1u0r n GLN 131 Cb 0.05 -5.10 0.08 0.00 0.11 0.00 0.00 30.24 25.38 1u0r n GLN 131 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1u0r n ASP 132 N -0.99 0.67 -4.75 1.08 5.75 -1.22 -4.93 116.55 112.16 1u0r n ASP 132 Ca -0.08 0.02 -0.39 0.00 -0.01 0.00 0.00 54.79 54.33 1u0r n ASP 132 Cb 0.53 0.49 0.03 0.00 -1.03 0.00 0.00 41.12 41.15 1u0r n ASP 132 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1u0r s TYR 133 N -3.21 2.36 -0.04 2.11 -0.85 -1.26 -4.97 117.35 111.49 1u0r s TYR 133 Ca 0.04 1.36 -0.30 0.00 -0.52 0.00 0.00 57.07 57.65 1u0r s TYR 133 Cb 0.13 -3.80 -0.03 0.00 0.38 0.00 0.00 41.96 38.64 1u0r s TYR 133 CO 0.77 -2.82 1.14 0.50 -1.52 0.00 0.00 175.55 173.61 1u0r s ARG 134 N -2.79 4.40 -0.33 -3.49 3.00 -1.26 -4.90 118.95 113.58 1u0r s ARG 134 Ca 0.69 1.61 -0.17 0.00 -1.00 0.00 0.00 55.73 56.86 1u0r s ARG 134 Cb -0.40 -3.50 -0.01 0.00 0.00 0.00 0.00 34.95 31.03 1u0r s ARG 134 CO 0.49 -0.34 0.48 0.08 0.00 0.00 0.00 175.30 176.01 1u0r s VAL 135 N 1.82 5.06 -0.21 7.11 1.01 -1.26 -1.88 120.40 132.05 1u0r s VAL 135 Ca 0.55 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 1u0r s VAL 135 Cb -0.24 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1u0r s VAL 135 CO 0.23 -0.13 -0.01 -1.83 0.00 0.00 0.00 175.10 173.37 1u0r s GLU 136 N 2.31 3.56 0.26 2.72 -1.05 0.11 -4.89 118.70 121.70 1u0r s GLU 136 Ca 0.18 -0.55 -0.31 0.00 -0.15 0.00 0.00 54.97 54.14 1u0r s GLU 136 Cb -0.16 -3.07 -0.13 0.00 -0.44 0.00 0.00 34.13 30.34 1u0r s GLU 136 CO 0.12 -0.05 1.44 -0.25 0.95 0.00 0.00 175.26 177.48 1u0r n ASP 137 N 4.41 2.99 -4.00 0.83 9.92 -1.26 -2.16 116.55 127.27 1u0r n ASP 137 Ca -0.17 1.15 -0.21 0.00 -0.53 0.00 0.00 54.79 55.02 1u0r n ASP 137 Cb 0.52 -1.47 -0.16 0.00 -0.64 0.00 0.00 41.12 39.37 1u0r n ASP 137 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1u0r s ARG 138 N -0.52 1.07 -0.45 -1.24 6.06 -0.69 -4.96 118.95 118.22 1u0r s ARG 138 Ca 0.66 -0.32 -0.46 0.00 -2.50 0.00 0.00 55.73 53.12 1u0r s ARG 138 Cb -0.61 -0.98 -0.20 0.00 0.06 0.00 0.00 34.95 33.22 1u0r s ARG 138 CO 0.50 0.10 1.59 -0.11 -2.50 0.00 0.00 175.30 174.88 1u0r n LEU 139 N 3.40 1.29 -4.34 -0.88 -0.00 -1.26 -3.15 117.00 112.05 1u0r n LEU 139 Ca -0.19 1.18 -0.30 0.00 -0.00 0.00 0.00 56.01 56.69 1u0r n LEU 139 Cb 0.54 -0.91 -0.15 0.00 -0.00 0.00 0.00 43.42 42.90 1u0r n LEU 139 CO 0.25 -0.84 -0.57 -0.89 -0.00 0.00 0.00 177.39 175.34 1u0r s THR 140 N 2.93 2.14 -0.07 1.96 2.01 -1.26 -4.86 115.64 118.49 1u0r s THR 140 Ca 1.04 -1.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 1u0r s THR 140 Cb -1.44 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1u0r s THR 140 CO 0.79 0.40 0.24 -0.76 -0.69 0.00 0.00 174.62 174.61 1u0r s LEU 141 N -1.14 4.42 -0.13 4.42 1.43 -0.32 -0.38 118.68 127.00 1u0r s LEU 141 Ca 0.11 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1u0r s LEU 141 Cb -0.10 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 1u0r s LEU 141 CO 0.02 0.38 -0.06 -0.62 0.23 0.00 0.00 176.35 176.30 1u0r s ASP 142 N -1.05 4.68 -0.05 2.29 2.15 0.19 -1.30 116.67 123.59 1u0r s ASP 142 Ca 0.18 -0.11 0.02 0.00 0.43 0.00 0.00 52.55 53.07 1u0r s ASP 142 Cb -0.14 -1.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.91 1u0r s ASP 142 CO 0.08 0.23 -0.08 0.54 -0.17 0.00 0.00 175.17 175.77 1u0r s VAL 143 N -0.02 0.79 0.25 1.11 0.11 -0.11 -1.31 120.40 121.23 1u0r s VAL 143 Ca 0.00 -0.30 0.11 0.00 -2.93 0.00 0.00 61.98 58.86 1u0r s VAL 143 Cb -0.13 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1u0r s VAL 143 CO 0.03 0.27 -0.18 0.68 -3.33 0.00 0.00 175.10 172.57 1u0r s VAL 144 N 0.62 2.23 -0.04 2.04 -7.23 -0.26 -0.04 120.40 117.72 1u0r s VAL 144 Ca -0.10 -2.33 0.01 0.00 -1.81 0.00 0.00 61.98 57.75 1u0r s VAL 144 Cb -0.13 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.63 1u0r s VAL 144 CO 0.01 -0.45 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.63 1u0r s VAL 145 N -2.62 0.43 -0.04 1.32 1.01 -0.97 -0.41 120.40 119.12 1u0r s VAL 145 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1u0r s VAL 145 Cb -0.04 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1u0r s VAL 145 CO 0.12 0.21 0.03 -0.60 0.00 0.00 0.00 175.10 174.86 1u0r s ARG 146 N 1.05 0.11 -0.04 2.72 3.52 -0.66 -1.08 118.95 124.56 1u0r s ARG 146 Ca -0.09 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 1u0r s ARG 146 Cb -0.14 -0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 32.72 1u0r s ARG 146 CO -0.01 -0.25 -0.16 -1.14 -0.81 0.00 0.00 175.30 172.94 1u0r s GLN 147 N 1.64 2.42 -1.58 5.12 0.74 -0.39 -1.53 119.66 126.08 1u0r s GLN 147 Ca -0.02 -0.75 -0.06 0.00 0.05 0.00 0.00 55.36 54.59 1u0r s GLN 147 Cb -0.13 -2.32 0.06 0.00 1.10 0.00 0.00 33.01 31.72 1u0r s GLN 147 CO -0.03 0.61 0.31 0.41 -0.55 0.00 0.00 175.29 176.04 1u0r n GLY 148 N 2.26 -0.23 3.30 2.59 0.00 -1.26 0.71 105.19 112.55 1u0r n GLY 148 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1u0r n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0r n GLY 149 N -2.04 2.14 3.38 -0.02 0.00 -1.26 -4.99 105.19 102.40 1u0r n GLY 149 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1u0r n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u0r s ARG 150 N -0.04 3.28 -0.10 1.61 3.00 0.22 -5.06 118.95 121.86 1u0r s ARG 150 Ca 0.00 -0.69 -0.29 0.00 -1.00 0.00 0.00 55.73 53.75 1u0r s ARG 150 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 34.95 32.31 1u0r s ARG 150 CO 0.00 0.27 1.61 0.42 0.00 0.00 0.00 175.30 177.60 1u0r s ILE 151 N 0.21 3.67 -0.43 4.11 1.01 -1.26 -1.26 121.20 127.26 1u0r s ILE 151 Ca -0.08 0.80 0.11 0.00 0.00 0.00 0.00 60.65 61.48 1u0r s ILE 151 Cb -0.15 -3.55 -0.13 0.00 0.01 0.00 0.00 42.46 38.63 1u0r s ILE 151 CO 0.05 -0.11 0.43 1.33 0.00 0.00 0.00 174.94 176.64 1u0r n VAL 152 N 5.69 0.00 -3.56 2.92 0.24 -0.24 -4.94 118.33 118.43 1u0r n VAL 152 Ca 0.17 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 62.14 1u0r n VAL 152 Cb 0.43 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 1u0r n VAL 152 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1u0r s ASN 153 N -2.33 -0.42 -0.18 -1.34 3.84 -1.18 -5.02 114.94 108.32 1u0r s ASN 153 Ca 0.03 -0.16 -0.28 0.00 0.21 0.00 0.00 52.86 52.65 1u0r s ASN 153 Cb 0.08 0.56 0.10 0.00 -0.55 0.00 0.00 41.25 41.44 1u0r s ASN 153 CO 0.47 -0.94 0.86 -0.60 -2.79 0.00 0.00 177.10 174.10 1u0r s ARG 154 N -3.57 0.76 0.37 0.43 6.06 -1.26 -2.29 118.95 119.45 1u0r s ARG 154 Ca 0.05 0.44 -0.16 0.00 -2.50 0.00 0.00 55.73 53.56 1u0r s ARG 154 Cb -0.02 0.36 0.05 0.00 0.06 0.00 0.00 34.95 35.40 1u0r s ARG 154 CO -0.07 -0.18 0.78 0.20 -2.50 0.00 0.00 175.30 173.53 1u0r s GLY 155 N -0.55 0.32 0.05 8.12 0.00 0.95 -5.00 107.32 111.21 1u0r s GLY 155 Ca -0.03 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 1u0r s GLY 155 CO 0.02 -0.29 0.15 0.66 0.00 0.00 0.00 173.10 173.64 1u0r s TRP 156 N -2.49 0.13 0.03 1.90 1.48 -1.26 -0.93 118.94 117.80 1u0r s TRP 156 Ca 0.15 -0.42 -0.05 0.00 -1.06 0.00 0.00 56.10 54.72 1u0r s TRP 156 Cb -0.05 -0.09 -0.01 0.00 -1.16 0.00 0.00 33.47 32.16 1u0r s TRP 156 CO 0.11 -0.42 0.09 0.00 -4.06 0.00 0.00 176.95 172.66 1u0r s ALA 157 N -2.80 -0.08 -0.55 2.67 0.00 -0.42 -4.77 121.76 115.80 1u0r s ALA 157 Ca -0.03 -0.49 0.11 0.00 0.00 0.00 0.00 51.96 51.54 1u0r s ALA 157 Cb 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 23.12 23.23 1u0r s ALA 157 CO -0.05 -0.28 0.47 1.47 0.00 0.00 0.00 175.76 177.37 1u0r n LEU 158 N 0.99 0.57 -0.01 0.00 -0.00 -1.26 -1.17 117.00 116.12 1u0r n LEU 158 Ca -0.20 -0.52 -0.04 0.00 -0.00 0.00 0.00 56.01 55.25 1u0r n LEU 158 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1u0r n LEU 158 CO 0.22 0.14 -0.28 0.59 -0.00 0.00 0.00 177.39 178.06 1u0r n ASN 159 N -1.16 1.41 -3.68 1.45 4.13 -1.26 -4.35 115.26 111.81 1u0r n ASN 159 Ca 0.02 0.21 -0.11 0.00 1.68 0.00 0.00 54.58 56.39 1u0r n ASN 159 Cb 0.17 -0.49 -0.09 0.00 -1.54 0.00 0.00 39.78 37.84 1u0r n ASN 159 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1u0r s GLU 160 N -2.34 0.57 -0.30 3.52 8.01 -1.26 -1.29 118.70 125.60 1u0r s GLU 160 Ca -0.11 0.90 -0.10 0.00 0.01 0.00 0.00 54.97 55.67 1u0r s GLU 160 Cb 0.02 0.14 -0.02 0.00 -4.31 0.00 0.00 34.13 29.96 1u0r s GLU 160 CO 0.17 -0.13 0.16 0.08 0.01 0.00 0.00 175.26 175.55 1u0r s VAL 161 N 1.07 4.76 -0.74 2.63 1.01 0.75 -2.35 120.40 127.53 1u0r s VAL 161 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1u0r s VAL 161 Cb -0.06 -3.38 0.19 0.00 0.00 0.00 0.00 36.38 33.13 1u0r s VAL 161 CO -0.10 0.12 0.59 -0.55 0.00 0.00 0.00 175.10 175.15 1u0r s SER 162 N 1.65 5.56 0.31 3.32 0.15 -0.42 0.49 113.70 124.76 1u0r s SER 162 Ca 0.05 -3.23 -0.29 0.00 0.70 0.00 0.00 55.95 53.18 1u0r s SER 162 Cb -0.17 -1.88 -0.10 0.00 -1.71 0.00 0.00 66.02 62.16 1u0r s SER 162 CO 0.07 -0.29 1.30 -0.22 1.20 0.00 0.00 173.24 175.30 1u0r s LEU 163 N -0.62 4.43 -0.14 3.45 2.96 -0.41 -2.11 118.68 126.24 1u0r s LEU 163 Ca 0.21 2.64 -0.15 0.00 -0.22 0.00 0.00 54.13 56.62 1u0r s LEU 163 Cb -0.14 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.94 1u0r s LEU 163 CO -0.07 -0.52 0.40 -1.61 -1.32 0.00 0.00 176.35 173.23 1u0r s GLU 164 N -1.56 0.50 0.12 1.98 2.02 0.39 -0.79 118.70 121.36 1u0r s GLU 164 Ca 0.50 0.50 -0.13 0.00 0.02 0.00 0.00 54.97 55.85 1u0r s GLU 164 Cb -0.39 0.24 -0.08 0.00 0.10 0.00 0.00 34.13 34.00 1u0r s GLU 164 CO 0.50 -0.07 0.21 1.17 0.02 0.00 0.00 175.26 177.09 1u0r n LYS 165 N 2.69 0.00 0.00 1.61 4.81 0.11 -1.48 118.16 125.90 1u0r n LYS 165 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1u0r n LYS 165 Cb 0.57 -0.50 0.00 0.00 0.02 0.00 0.00 35.03 35.12 1u0r n LYS 165 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u0r n GLY 166 N 1.04 1.58 3.48 3.14 0.00 -1.24 -4.32 105.19 108.86 1u0r n GLY 166 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1u0r n GLY 166 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u0r n PRO 167 N -0.13 0.62 0.14 1.61 -0.02 -1.26 -4.89 135.00 131.07 1u0r n PRO 167 Ca 0.00 0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1u0r n PRO 167 Cb 0.00 -1.69 0.18 0.00 -0.02 0.00 0.00 33.50 31.97 1u0r n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u0r h ARG 168 N 0.53 0.00 -5.66 -0.52 2.47 -2.02 -3.43 114.38 105.76 1u0r h ARG 168 Ca -0.44 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.61 1u0r h ARG 168 Cb 1.39 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.44 1u0r h ARG 168 CO 0.49 0.60 -0.80 -0.48 0.56 0.00 0.00 179.97 180.35 1u0r s LEU 169 N -7.61 2.56 0.00 3.04 2.34 -1.26 -5.00 118.68 112.75 1u0r s LEU 169 Ca -0.01 -0.35 0.00 0.00 0.06 0.00 0.00 54.13 53.83 1u0r s LEU 169 Cb 0.13 -1.54 0.00 0.00 -0.56 0.00 0.00 46.19 44.22 1u0r s LEU 169 CO 0.76 0.22 0.00 0.61 -1.06 0.00 0.00 176.35 176.88 1u0r n GLY 170 N 3.15 0.45 3.27 -3.48 0.00 -1.26 -5.09 105.19 102.22 1u0r n GLY 170 Ca -0.18 -2.28 -0.15 0.00 0.00 0.00 0.00 46.02 43.41 1u0r n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0r s VAL 171 N -0.40 0.93 -0.28 1.61 0.11 -1.26 -4.96 120.40 116.15 1u0r s VAL 171 Ca 0.00 -2.02 -0.09 0.00 -2.93 0.00 0.00 61.98 56.95 1u0r s VAL 171 Cb 0.00 -2.10 -0.02 0.00 -1.53 0.00 0.00 36.38 32.73 1u0r s VAL 171 CO 0.00 -0.52 0.12 -0.22 -3.33 0.00 0.00 175.10 171.15 1u0r s LEU 172 N -3.21 3.82 0.30 2.54 0.20 -0.48 -4.85 118.68 117.00 1u0r s LEU 172 Ca 0.23 -0.36 -0.28 0.00 0.69 0.00 0.00 54.13 54.41 1u0r s LEU 172 Cb 0.05 -1.98 -0.09 0.00 -0.43 0.00 0.00 46.19 43.74 1u0r s LEU 172 CO 0.04 -0.12 1.09 -0.83 -0.29 0.00 0.00 176.35 176.24 1u0r s GLY 173 N 1.62 3.01 -0.24 7.98 0.00 -1.26 -2.17 107.32 116.26 1u0r s GLY 173 Ca 0.05 0.86 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 1u0r s GLY 173 CO 0.05 1.43 0.64 0.14 0.00 0.00 0.00 173.10 175.37 1u0r s VAL 174 N -1.25 -0.00 -0.22 1.40 1.01 -1.11 -2.14 120.40 118.09 1u0r s VAL 174 Ca 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1u0r s VAL 174 Cb -0.30 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1u0r s VAL 174 CO 0.38 0.00 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 1u0r s VAL 175 N 0.49 3.23 -0.04 2.92 1.01 -0.30 -2.41 120.40 125.30 1u0r s VAL 175 Ca -0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1u0r s VAL 175 Cb -0.05 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1u0r s VAL 175 CO -0.01 0.42 0.37 -0.69 0.00 0.00 0.00 175.10 175.19 1u0r s VAL 176 N 1.46 5.12 -0.00 2.92 1.01 -0.03 0.30 120.40 131.17 1u0r s VAL 176 Ca 0.05 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1u0r s VAL 176 Cb -0.14 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1u0r s VAL 176 CO -0.04 0.55 -0.04 -0.70 0.00 0.00 0.00 175.10 174.86 1u0r s GLU 177 N -0.82 0.35 -0.05 2.72 2.12 0.15 -0.98 118.70 122.19 1u0r s GLU 177 Ca 0.22 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 1u0r s GLU 177 Cb -0.16 -0.33 0.03 0.00 0.26 0.00 0.00 34.13 33.94 1u0r s GLU 177 CO 0.11 0.09 0.02 0.42 -0.54 0.00 0.00 175.26 175.36 1u0r s ILE 178 N -0.16 0.19 -1.51 -3.70 1.01 0.95 -0.73 121.20 117.25 1u0r s ILE 178 Ca 0.01 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 1u0r s ILE 178 Cb -0.02 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1u0r s ILE 178 CO -0.00 0.21 0.29 0.47 0.00 0.00 0.00 174.94 175.91 1u0r n ASP 179 N 5.00 -0.14 0.00 3.58 8.00 -0.80 -1.23 116.55 130.96 1u0r n ASP 179 Ca -0.09 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1u0r n ASP 179 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.22 1u0r n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0r n GLY 180 N -2.13 0.60 3.00 0.44 0.00 -1.26 -5.01 105.19 100.82 1u0r n GLY 180 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1u0r n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u0r s ARG 181 N -0.15 0.42 0.37 1.61 1.81 -0.36 -5.14 118.95 117.49 1u0r s ARG 181 Ca 0.00 -0.46 -0.26 0.00 -1.72 0.00 0.00 55.73 53.30 1u0r s ARG 181 Cb 0.00 -0.26 -0.09 0.00 -0.45 0.00 0.00 34.95 34.15 1u0r s ARG 181 CO 0.00 0.06 1.07 -1.25 -0.68 0.00 0.00 175.30 174.49 1u0r s PRO 182 N -0.88 4.29 -0.02 3.54 0.04 -1.26 -0.03 135.00 140.68 1u0r s PRO 182 Ca -0.05 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1u0r s PRO 182 Cb -0.06 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1u0r s PRO 182 CO -0.00 -0.05 0.02 1.55 0.04 0.00 0.00 177.00 178.56 1u0r n VAL 183 N 0.29 0.14 -3.64 -0.36 3.14 -0.16 -4.89 118.33 112.86 1u0r n VAL 183 Ca 0.03 -0.10 -0.08 0.00 -2.96 0.00 0.00 64.34 61.23 1u0r n VAL 183 Cb 0.48 -0.61 -0.07 0.00 -1.06 0.00 0.00 33.84 32.58 1u0r n VAL 183 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1u0r s SER 184 N -3.09 -0.37 -0.07 6.55 0.01 -1.18 -5.02 113.70 110.53 1u0r s SER 184 Ca -0.01 0.71 0.05 0.00 1.31 0.00 0.00 55.95 58.01 1u0r s SER 184 Cb 0.01 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.95 1u0r s SER 184 CO 0.11 -0.12 -0.24 0.00 0.41 0.00 0.00 173.24 173.40 1u0r s ALA 185 N 0.18 2.12 0.03 1.44 0.00 -1.26 -0.85 121.76 123.42 1u0r s ALA 185 Ca 0.04 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1u0r s ALA 185 Cb -0.05 -0.71 0.10 0.00 0.00 0.00 0.00 23.12 22.46 1u0r s ALA 185 CO -0.08 0.36 1.13 -0.59 0.00 0.00 0.00 175.76 176.58 1u0r s PHE 186 N 0.04 -0.10 0.15 0.00 -0.12 -1.01 -5.03 117.98 111.90 1u0r s PHE 186 Ca -0.09 -0.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 1u0r s PHE 186 Cb -0.15 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1u0r s PHE 186 CO 0.05 -0.49 0.24 0.20 -0.05 0.00 0.00 175.22 175.17 1u0r s GLY 187 N -2.87 1.74 0.14 1.99 0.00 -1.26 -2.73 107.32 104.34 1u0r s GLY 187 Ca 0.12 -1.07 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 1u0r s GLY 187 CO -0.02 -1.07 1.08 0.00 0.00 0.00 0.00 173.10 173.09 1u0r h ASP 189 N 2.00 0.00 0.00 0.00 3.32 -0.96 -1.28 116.42 119.50 1u0r h ASP 189 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1u0r h ASP 189 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1u0r h ASP 189 CO 0.34 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 1u0r n GLY 190 N 1.30 -0.97 2.90 2.75 0.00 -1.11 0.05 105.19 110.11 1u0r n GLY 190 Ca -0.03 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 1u0r n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u0r s VAL 191 N -3.00 0.35 -0.21 1.61 1.01 0.03 -1.38 120.40 118.81 1u0r s VAL 191 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1u0r s VAL 191 Cb 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1u0r s VAL 191 CO 0.00 0.14 0.13 -0.76 0.00 0.00 0.00 175.10 174.61 1u0r s LEU 192 N 0.42 4.20 -0.26 3.92 2.01 -0.75 -1.28 118.68 126.93 1u0r s LEU 192 Ca -0.05 0.21 -0.04 0.00 0.01 0.00 0.00 54.13 54.27 1u0r s LEU 192 Cb -0.08 -2.09 0.01 0.00 0.01 0.00 0.00 46.19 44.04 1u0r s LEU 192 CO -0.01 0.16 -0.01 -0.69 1.01 0.00 0.00 176.35 176.82 1u0r s VAL 193 N 0.45 3.34 0.16 -1.59 1.01 0.18 -1.78 120.40 122.17 1u0r s VAL 193 Ca 0.08 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1u0r s VAL 193 Cb -0.11 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1u0r s VAL 193 CO -0.01 0.19 -0.15 -0.55 0.00 0.00 0.00 175.10 174.58 1u0r s SER 194 N 1.41 2.31 0.30 3.32 0.15 0.15 -0.18 113.70 121.16 1u0r s SER 194 Ca 0.02 -0.89 -0.04 0.00 0.70 0.00 0.00 55.95 55.73 1u0r s SER 194 Cb -0.16 -0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 63.99 1u0r s SER 194 CO -0.02 -0.14 0.56 -0.89 1.20 0.00 0.00 173.24 173.95 1u0r s THR 195 N -2.41 5.03 0.56 6.45 2.01 -0.41 0.04 115.64 126.90 1u0r s THR 195 Ca 0.15 0.01 0.25 0.00 0.31 0.00 0.00 61.69 62.41 1u0r s THR 195 Cb -0.03 -3.75 0.36 0.00 0.01 0.00 0.00 72.50 69.09 1u0r s THR 195 CO 0.05 -0.36 2.06 -0.65 -0.69 0.00 0.00 174.62 175.04 1u0r h PRO 196 N 1.56 0.00 -0.22 4.92 0.11 -1.87 -0.23 132.00 136.27 1u0r h PRO 196 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1u0r h PRO 196 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1u0r h PRO 196 CO 0.66 0.00 -0.38 1.15 -0.21 0.00 0.00 178.00 179.21 1u0r h THR 197 N 0.00 1.30 -0.01 -1.15 2.02 -1.83 -3.11 112.91 110.13 1u0r h THR 197 Ca 0.13 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1u0r h THR 197 Cb 0.62 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1u0r h THR 197 CO -0.00 0.48 -0.22 0.61 0.37 0.00 0.00 175.52 176.75 1u0r n GLY 198 N -0.09 -0.73 0.00 2.16 0.00 -0.19 -3.78 105.19 102.56 1u0r n GLY 198 Ca -0.01 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1u0r n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0r n SER 199 N -0.77 0.00 -0.00 1.61 3.41 -0.64 -1.69 113.62 115.54 1u0r n SER 199 Ca 0.12 -0.83 0.02 0.00 -0.26 0.00 0.00 58.87 57.93 1u0r n SER 199 Cb 0.33 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1u0r n SER 199 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1u0r n THR 200 N -0.83 0.00 0.00 6.66 5.66 -1.25 -3.75 114.28 120.77 1u0r n THR 200 Ca 0.10 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1u0r n THR 200 Cb 0.05 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1u0r n THR 200 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u0r n ALA 201 N -1.50 0.00 -0.12 1.79 0.00 -0.68 -4.59 120.51 115.41 1u0r n ALA 201 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1u0r n ALA 201 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.57 1u0r n ALA 201 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1u0r h TYR 202 N 0.00 0.30 -0.25 0.00 3.20 -1.93 -1.20 116.97 117.09 1u0r h TYR 202 Ca 0.00 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.96 1u0r h TYR 202 Cb 0.00 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1u0r h TYR 202 CO 0.00 0.14 0.22 0.00 -1.64 0.00 0.00 178.16 176.88 1u0r h ALA 203 N 1.24 2.03 -0.22 1.82 0.00 -1.87 0.67 119.26 122.93 1u0r h ALA 203 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1u0r h ALA 203 Cb 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u0r h ALA 203 CO -0.16 -0.35 -0.19 0.35 0.00 0.00 0.00 179.25 178.90 1u0r h PHE 204 N 0.00 0.62 -0.72 0.00 3.57 -1.31 0.11 116.94 119.22 1u0r h PHE 204 Ca 0.12 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1u0r h PHE 204 Cb 0.57 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1u0r h PHE 204 CO 0.00 0.85 0.47 0.77 -2.23 0.00 0.00 178.31 178.17 1u0r h SER 205 N 0.22 0.81 0.10 0.41 0.02 0.37 0.47 113.55 115.95 1u0r h SER 205 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1u0r h SER 205 Cb 0.73 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1u0r h SER 205 CO 0.05 0.58 0.00 0.00 -1.14 0.00 0.00 176.83 176.32 1u0r n ALA 206 N -2.30 1.50 0.00 3.77 0.00 0.57 -4.78 120.51 119.27 1u0r n ALA 206 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1u0r n ALA 206 Cb 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1u0r n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0r n GLY 207 N -0.75 1.14 3.93 0.00 0.00 0.15 -4.79 105.19 104.87 1u0r n GLY 207 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1u0r n GLY 207 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0r s GLY 208 N -2.00 1.74 0.61 -0.02 0.00 0.37 -4.91 107.32 103.11 1u0r s GLY 208 Ca 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 1u0r s GLY 208 CO 0.00 -0.43 0.91 2.56 0.00 0.00 0.00 173.10 176.14 1u0r s PRO 209 N -5.76 2.63 -0.21 2.90 0.04 -1.26 -4.70 135.00 128.65 1u0r s PRO 209 Ca 0.71 -0.23 -0.10 0.00 0.04 0.00 0.00 61.00 61.41 1u0r s PRO 209 Cb -0.06 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1u0r s PRO 209 CO 0.51 -0.86 0.13 0.54 0.04 0.00 0.00 177.00 177.37 1u0r s VAL 210 N -3.02 5.36 -0.21 -0.36 0.11 -1.26 -4.83 120.40 116.19 1u0r s VAL 210 Ca 0.56 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.72 1u0r s VAL 210 Cb -0.11 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 1u0r s VAL 210 CO 0.44 0.43 0.04 -0.76 -3.33 0.00 0.00 175.10 171.91 1u0r s LEU 211 N 0.47 3.43 0.50 2.54 1.02 -1.26 -5.09 118.68 120.30 1u0r s LEU 211 Ca 0.08 -0.14 -0.23 0.00 0.02 0.00 0.00 54.13 53.85 1u0r s LEU 211 Cb -0.11 -1.89 -0.07 0.00 0.02 0.00 0.00 46.19 44.14 1u0r s LEU 211 CO -0.01 0.05 1.30 0.79 0.02 0.00 0.00 176.35 178.50 1u0r n TRP 212 N 4.32 2.13 0.51 0.29 8.01 -1.26 -4.68 117.44 126.76 1u0r n TRP 212 Ca -0.17 0.45 0.13 0.00 -1.31 0.00 0.00 57.50 56.61 1u0r n TRP 212 Cb 0.52 -2.35 0.42 0.00 -2.01 0.00 0.00 31.31 27.89 1u0r n TRP 212 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1u0r h PRO 213 N 1.62 0.00 -0.53 -0.99 0.11 -1.98 -2.56 132.00 127.66 1u0r h PRO 213 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u0r h PRO 213 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1u0r h PRO 213 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1u0r n ASP 214 N -2.38 3.01 -4.88 -2.05 5.68 -1.26 -4.70 116.55 109.96 1u0r n ASP 214 Ca 0.04 -1.98 -0.30 0.00 -0.50 0.00 0.00 54.79 52.05 1u0r n ASP 214 Cb 0.38 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 39.97 1u0r n ASP 214 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1u0r s LEU 215 N -1.07 3.82 -0.38 -2.12 2.96 -0.97 -5.05 118.68 115.87 1u0r s LEU 215 Ca 0.38 1.08 -0.07 0.00 -0.22 0.00 0.00 54.13 55.30 1u0r s LEU 215 Cb 0.20 -3.96 0.07 0.00 0.50 0.00 0.00 46.19 42.99 1u0r s LEU 215 CO 0.26 -0.41 0.19 -1.61 -1.32 0.00 0.00 176.35 173.46 1u0r s GLU 216 N -3.94 2.51 0.15 1.98 2.02 -1.26 -4.80 118.70 115.35 1u0r s GLU 216 Ca 0.50 -1.41 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 1u0r s GLU 216 Cb -0.10 -3.61 0.06 0.00 0.10 0.00 0.00 34.13 30.57 1u0r s GLU 216 CO 0.33 -0.86 0.53 0.00 0.02 0.00 0.00 175.26 175.28 1u0r s ALA 217 N 1.36 -1.33 -0.15 5.21 0.00 -1.26 -4.07 121.76 121.53 1u0r s ALA 217 Ca 0.02 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 1u0r s ALA 217 Cb -0.22 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1u0r s ALA 217 CO 0.01 -0.73 -0.01 0.42 0.00 0.00 0.00 175.76 175.45 1u0r s ILE 218 N -3.78 4.17 -0.13 0.00 1.01 -0.52 -4.19 121.20 117.76 1u0r s ILE 218 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 1u0r s ILE 218 Cb -0.00 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1u0r s ILE 218 CO -0.12 0.50 0.00 -0.22 0.00 0.00 0.00 174.94 175.10 1u0r s LEU 219 N 0.16 3.51 -0.16 2.97 2.96 0.11 -1.87 118.68 126.37 1u0r s LEU 219 Ca 0.00 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1u0r s LEU 219 Cb -0.13 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1u0r s LEU 219 CO 0.02 0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.43 1u0r s VAL 220 N -0.15 2.25 -0.25 1.68 1.01 0.83 0.30 120.40 126.07 1u0r s VAL 220 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1u0r s VAL 220 Cb -0.13 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.39 1u0r s VAL 220 CO 0.02 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 1u0r s VAL 221 N 0.97 1.74 0.26 2.92 1.01 -0.74 0.10 120.40 126.66 1u0r s VAL 221 Ca -0.03 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1u0r s VAL 221 Cb -0.15 -1.99 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 1u0r s VAL 221 CO -0.04 -0.15 1.38 -2.84 0.00 0.00 0.00 175.10 173.45 1u0r s PRO 222 N 1.28 4.31 -0.46 2.72 0.02 -1.26 -1.81 135.00 139.80 1u0r s PRO 222 Ca -0.05 2.23 -0.16 0.00 0.02 0.00 0.00 61.00 63.05 1u0r s PRO 222 Cb -0.19 -3.12 0.05 0.00 0.02 0.00 0.00 34.50 31.26 1u0r s PRO 222 CO -0.07 -0.33 0.41 1.21 -0.33 0.00 0.00 177.00 177.89 1u0r s ASN 223 N 0.15 6.16 -1.13 2.53 3.04 -0.48 -4.56 114.94 120.65 1u0r s ASN 223 Ca 0.56 -1.07 -0.17 0.00 0.04 0.00 0.00 52.86 52.22 1u0r s ASN 223 Cb -0.40 -2.20 -0.02 0.00 -1.54 0.00 0.00 41.25 37.09 1u0r s ASN 223 CO 0.45 -0.63 0.81 0.59 -3.04 0.00 0.00 177.10 175.27 1u0r n ASN 224 N 5.40 -5.28 -4.74 -4.21 3.02 -1.26 -0.85 115.26 107.34 1u0r n ASN 224 Ca -0.10 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.10 1u0r n ASN 224 Cb 0.45 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 1u0r n ASN 224 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u0r s ALA 225 N -3.47 3.41 -1.18 5.41 0.00 -1.26 -3.21 121.76 121.46 1u0r s ALA 225 Ca 0.44 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 1u0r s ALA 225 Cb -0.14 -2.87 0.09 0.00 0.00 0.00 0.00 23.12 20.20 1u0r s ALA 225 CO 0.84 0.06 1.55 -1.58 0.00 0.00 0.00 175.76 176.63 1u0r s HIS 226 N 0.13 2.92 0.02 0.00 2.46 0.04 -4.87 115.29 115.98 1u0r s HIS 226 Ca 0.35 -1.55 -0.29 0.00 0.47 0.00 0.00 55.06 54.04 1u0r s HIS 226 Cb -0.19 -4.60 0.10 0.00 -0.13 0.00 0.00 32.58 27.76 1u0r s HIS 226 CO 0.19 -1.71 1.10 0.00 -2.47 0.00 0.00 174.74 171.84 1u0r s ALA 227 N 3.65 -1.94 0.06 1.58 0.00 -1.26 -4.51 121.76 119.33 1u0r s ALA 227 Ca 0.48 0.66 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1u0r s ALA 227 Cb 0.01 0.40 -0.19 0.00 0.00 0.00 0.00 23.12 23.34 1u0r s ALA 227 CO 0.01 -0.93 1.15 1.25 0.00 0.00 0.00 175.76 177.24 1u0r h LEU 228 N 2.00 0.00 -7.89 0.00 5.85 -1.98 -3.38 115.31 109.90 1u0r h LEU 228 Ca -0.24 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 57.81 1u0r h LEU 228 Cb 1.21 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.88 1u0r h LEU 228 CO 0.27 0.95 -0.76 0.12 -0.34 0.00 0.00 178.44 178.68 1u0r s PHE 229 N -2.71 3.34 -0.10 1.25 5.36 -1.26 -4.88 117.98 118.98 1u0r s PHE 229 Ca -0.00 -2.30 0.14 0.00 -0.96 0.00 0.00 56.93 53.81 1u0r s PHE 229 Cb 0.09 -2.14 0.30 0.00 -0.34 0.00 0.00 43.02 40.94 1u0r s PHE 229 CO 0.81 -0.87 1.15 0.41 -1.46 0.00 0.00 175.22 175.26 1u0r n GLY 230 N 4.46 3.36 3.77 13.12 0.00 -1.26 -5.06 105.19 123.57 1u0r n GLY 230 Ca -0.11 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1u0r n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u0r s ARG 231 N -1.87 4.39 0.55 1.61 1.81 -1.26 -4.25 118.95 119.93 1u0r s ARG 231 Ca 0.28 2.17 -0.21 0.00 -1.72 0.00 0.00 55.73 56.24 1u0r s ARG 231 Cb 0.28 -3.09 -0.05 0.00 -0.45 0.00 0.00 34.95 31.64 1u0r s ARG 231 CO -0.05 -0.14 1.34 -2.14 -0.68 0.00 0.00 175.30 173.63 1u0r s PRO 232 N -1.72 3.14 0.04 3.54 0.02 -1.26 -4.64 135.00 134.12 1u0r s PRO 232 Ca 0.49 2.18 0.06 0.00 0.02 0.00 0.00 61.00 63.74 1u0r s PRO 232 Cb -0.39 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 1u0r s PRO 232 CO 0.51 -1.17 -0.17 -1.64 -0.33 0.00 0.00 177.00 174.19 1u0r s MET 233 N -2.94 1.17 0.05 5.54 -1.94 0.12 -4.98 119.30 116.31 1u0r s MET 233 Ca 0.72 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.90 1u0r s MET 233 Cb -0.39 -1.23 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 1u0r s MET 233 CO 0.46 0.31 -0.15 0.08 -0.01 0.00 0.00 175.02 175.71 1u0r s VAL 234 N -0.81 1.15 -0.06 -6.03 1.01 -1.26 -0.12 120.40 114.28 1u0r s VAL 234 Ca 0.05 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 1u0r s VAL 234 Cb -0.08 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1u0r s VAL 234 CO 0.01 -0.04 0.28 -0.89 0.00 0.00 0.00 175.10 174.47 1u0r s THR 235 N -0.94 0.03 0.69 3.92 2.01 -0.78 -4.99 115.64 115.58 1u0r s THR 235 Ca 0.01 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 1u0r s THR 235 Cb -0.08 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 71.93 1u0r s THR 235 CO 0.02 -0.15 1.16 -1.54 -0.69 0.00 0.00 174.62 173.42 1u0r n SER 236 N 2.09 1.36 0.31 3.53 3.41 -1.26 -1.44 113.62 121.62 1u0r n SER 236 Ca -0.18 0.74 0.18 0.00 -0.26 0.00 0.00 58.87 59.36 1u0r n SER 236 Cb 0.57 -1.49 0.99 0.00 -0.26 0.00 0.00 64.21 64.02 1u0r n SER 236 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1u0r h PRO 237 N 0.07 0.00 0.00 4.33 0.11 -1.89 -1.38 132.00 133.23 1u0r h PRO 237 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u0r h PRO 237 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1u0r h PRO 237 CO 0.50 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 1u0r n GLU 238 N -3.36 0.35 -2.36 1.05 4.71 -1.26 -4.10 120.64 115.67 1u0r n GLU 238 Ca -0.02 0.08 -0.26 0.00 -0.01 0.00 0.00 57.16 56.95 1u0r n GLU 238 Cb 0.14 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.11 1u0r n GLU 238 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1u0r s ALA 239 N -2.47 3.32 -0.26 0.62 0.00 -0.52 -4.94 121.76 117.51 1u0r s ALA 239 Ca 0.21 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1u0r s ALA 239 Cb 0.14 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.78 1u0r s ALA 239 CO 0.29 -0.99 -0.09 0.99 0.00 0.00 0.00 175.76 175.96 1u0r s THR 240 N -3.06 2.35 -0.17 0.00 2.01 -1.26 -4.29 115.64 111.21 1u0r s THR 240 Ca 0.57 -1.52 -0.23 0.00 0.31 0.00 0.00 61.69 60.82 1u0r s THR 240 Cb -0.11 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1u0r s THR 240 CO 0.44 0.00 0.74 -0.63 -0.69 0.00 0.00 174.62 174.48 1u0r s ILE 241 N 1.15 4.95 -0.04 1.82 -1.09 -0.48 -1.91 121.20 125.59 1u0r s ILE 241 Ca -0.07 1.44 0.06 0.00 -2.23 0.00 0.00 60.65 59.84 1u0r s ILE 241 Cb -0.19 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1u0r s ILE 241 CO -0.05 0.08 -0.21 0.00 -1.23 0.00 0.00 174.94 173.53 1u0r s ALA 242 N 1.94 1.86 -0.06 9.38 0.00 0.09 0.26 121.76 135.23 1u0r s ALA 242 Ca 0.34 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1u0r s ALA 242 Cb -0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1u0r s ALA 242 CO 0.12 0.37 -0.22 0.42 0.00 0.00 0.00 175.76 176.45 1u0r s ILE 243 N -0.15 2.31 -0.38 0.00 1.01 -0.28 0.34 121.20 124.05 1u0r s ILE 243 Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1u0r s ILE 243 Cb -0.12 -1.86 0.10 0.00 0.01 0.00 0.00 42.46 40.59 1u0r s ILE 243 CO 0.02 0.57 0.15 -1.61 0.00 0.00 0.00 174.94 174.07 1u0r s GLU 244 N -0.21 1.98 0.25 2.79 2.02 0.15 -0.68 118.70 124.99 1u0r s GLU 244 Ca -0.02 -1.75 -0.31 0.00 0.02 0.00 0.00 54.97 52.91 1u0r s GLU 244 Cb -0.13 -3.47 -0.13 0.00 0.10 0.00 0.00 34.13 30.50 1u0r s GLU 244 CO 0.03 -0.99 1.52 -0.89 0.02 0.00 0.00 175.26 174.96 1u0r n ILE 245 N 4.54 0.77 -1.64 -1.63 2.08 -1.02 -1.15 119.36 121.31 1u0r n ILE 245 Ca -0.03 -0.19 -0.50 0.00 0.56 0.00 0.00 62.75 62.59 1u0r n ILE 245 Cb 0.42 -1.70 -0.05 0.00 -0.75 0.00 0.00 39.64 37.56 1u0r n ILE 245 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1u0r n GLU 246 N 2.42 1.58 -0.08 0.38 2.13 -0.91 -3.06 120.64 123.10 1u0r n GLU 246 Ca 0.12 0.57 -0.12 0.00 0.66 0.00 0.00 57.16 58.39 1u0r n GLU 246 Cb 0.33 -2.28 -0.05 0.00 0.27 0.00 0.00 31.44 29.71 1u0r n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1u0r h ALA 247 N 5.85 0.32 0.00 4.31 0.00 -1.89 -1.90 119.26 125.95 1u0r h ALA 247 Ca -0.47 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 1u0r h ALA 247 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1u0r h ALA 247 CO 0.86 0.08 -0.23 -0.44 0.00 0.00 0.00 179.25 179.52 1u0r h ASP 248 N 0.18 0.00 -1.30 0.00 3.32 -1.95 -3.37 116.42 113.30 1u0r h ASP 248 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1u0r h ASP 248 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1u0r h ASP 248 CO 0.02 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1u0r n GLY 249 N 0.09 -1.20 3.92 2.75 0.00 -1.22 -5.07 105.19 104.46 1u0r n GLY 249 Ca -0.00 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 1u0r n GLY 249 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0r s HIS 250 N -0.67 3.09 1.07 1.61 0.09 -1.26 -4.81 115.29 114.41 1u0r s HIS 250 Ca 0.00 0.60 -0.12 0.00 -0.00 0.00 0.00 55.06 55.54 1u0r s HIS 250 Cb 0.00 -3.02 0.23 0.00 -0.00 0.00 0.00 32.58 29.79 1u0r s HIS 250 CO 0.00 -1.18 1.06 -0.51 -0.00 0.00 0.00 174.74 174.11 1u0r s ASP 251 N -4.42 1.84 0.30 1.40 1.11 -1.26 -4.49 116.67 111.14 1u0r s ASP 251 Ca 0.58 1.42 0.05 0.00 0.18 0.00 0.00 52.55 54.78 1u0r s ASP 251 Cb -0.11 -2.14 -0.03 0.00 1.07 0.00 0.00 42.92 41.71 1u0r s ASP 251 CO 0.46 -3.66 0.23 0.00 1.18 0.00 0.00 175.17 173.38 1u0r s ALA 252 N -2.69 1.74 0.12 5.23 0.00 0.10 -3.67 121.76 122.60 1u0r s ALA 252 Ca 0.67 -1.93 0.09 0.00 0.00 0.00 0.00 51.96 50.78 1u0r s ALA 252 Cb -0.22 1.41 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 1u0r s ALA 252 CO 0.61 -0.62 -0.16 -0.51 0.00 0.00 0.00 175.76 175.08 1u0r s LEU 253 N -3.33 2.78 0.18 0.00 1.43 -0.55 0.64 118.68 119.83 1u0r s LEU 253 Ca 0.39 -0.54 0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1u0r s LEU 253 Cb 0.04 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1u0r s LEU 253 CO 0.23 0.17 -0.25 0.68 0.23 0.00 0.00 176.35 177.41 1u0r s VAL 254 N -1.23 2.33 -0.03 -1.59 -7.23 -1.05 -0.46 120.40 111.14 1u0r s VAL 254 Ca 0.19 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1u0r s VAL 254 Cb -0.10 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 1u0r s VAL 254 CO 0.11 -0.08 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.34 1u0r s PHE 255 N -1.56 1.24 -0.14 2.82 0.40 -0.90 -1.46 117.98 118.38 1u0r s PHE 255 Ca 0.19 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1u0r s PHE 255 Cb -0.08 -0.85 -0.00 0.00 0.51 0.00 0.00 43.02 42.60 1u0r s PHE 255 CO 0.09 -0.10 -0.16 0.00 0.70 0.00 0.00 175.22 175.75 1u0r n ASP 257 N 3.92 -4.10 -3.63 0.00 8.00 -0.99 -0.59 116.55 119.15 1u0r n ASP 257 Ca -0.19 0.23 -0.26 0.00 0.71 0.00 0.00 54.79 55.28 1u0r n ASP 257 Cb 0.52 -3.59 0.04 0.00 -0.02 0.00 0.00 41.12 38.07 1u0r n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0r n GLY 258 N -0.61 -0.52 0.00 0.44 0.00 -1.26 -4.83 105.19 98.41 1u0r n GLY 258 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1u0r n GLY 258 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1u0r n ARG 259 N -4.63 1.07 -3.85 1.61 1.85 0.24 -5.07 116.66 107.89 1u0r n ARG 259 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.50 1u0r n ARG 259 Cb 0.55 -0.19 -0.13 0.00 -1.05 0.00 0.00 32.46 31.65 1u0r n ARG 259 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1u0r s ARG 260 N -0.53 3.63 -0.03 2.89 0.52 -1.04 -4.92 118.95 119.47 1u0r s ARG 260 Ca 0.00 -0.50 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 1u0r s ARG 260 Cb 0.00 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 1u0r s ARG 260 CO 0.00 -0.13 0.29 -2.00 0.02 0.00 0.00 175.30 173.49 1u0r s GLU 261 N 1.42 3.68 0.38 3.54 2.12 -1.26 -1.37 118.70 127.21 1u0r s GLU 261 Ca 0.05 0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.54 1u0r s GLU 261 Cb -0.15 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1u0r s GLU 261 CO 0.02 0.70 0.09 -1.64 -0.54 0.00 0.00 175.26 173.89 1u0r s MET 262 N -1.29 1.82 -0.15 4.30 -1.94 -0.53 -5.00 119.30 116.51 1u0r s MET 262 Ca 0.23 -2.08 0.00 0.00 -1.71 0.00 0.00 55.69 52.13 1u0r s MET 262 Cb -0.14 -0.75 0.03 0.00 2.01 0.00 0.00 34.83 35.97 1u0r s MET 262 CO 0.11 -0.35 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.47 1u0r s LEU 263 N -3.57 1.73 -0.42 -0.03 1.98 -1.26 -2.53 118.68 114.58 1u0r s LEU 263 Ca 0.28 -0.53 -0.13 0.00 -2.89 0.00 0.00 54.13 50.86 1u0r s LEU 263 Cb 0.05 -1.17 0.05 0.00 0.66 0.00 0.00 46.19 45.78 1u0r s LEU 263 CO 0.14 -0.07 0.30 -0.63 -1.89 0.00 0.00 176.35 174.20 1u0r s ILE 264 N 1.49 4.87 0.52 6.68 -1.09 0.21 -4.95 121.20 128.93 1u0r s ILE 264 Ca 0.04 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.24 1u0r s ILE 264 Cb -0.13 -3.84 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 1u0r s ILE 264 CO -0.10 -0.43 1.32 -2.65 -1.23 0.00 0.00 174.94 171.85 1u0r n PRO 265 N 5.09 1.73 -1.59 2.79 -0.02 -1.26 0.03 135.00 141.77 1u0r n PRO 265 Ca -0.11 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 1u0r n PRO 265 Cb 0.45 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1u0r n PRO 265 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u0r n ALA 266 N -0.88 -0.08 -0.68 3.55 0.00 -1.26 -2.85 120.51 118.31 1u0r n ALA 266 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1u0r n ALA 266 Cb 0.44 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1u0r n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0r n GLY 267 N 1.37 1.56 1.44 0.00 0.00 -0.72 -4.85 105.19 103.98 1u0r n GLY 267 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1u0r n GLY 267 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0r n SER 268 N 0.00 0.33 -3.74 1.61 3.41 -1.13 -4.79 113.62 109.30 1u0r n SER 268 Ca 0.00 -1.33 -0.20 0.00 -0.26 0.00 0.00 58.87 57.08 1u0r n SER 268 Cb 0.00 -0.29 -0.17 0.00 -0.26 0.00 0.00 64.21 63.48 1u0r n SER 268 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1u0r s ARG 269 N -3.65 0.24 -0.12 4.33 3.52 -0.58 -2.44 118.95 120.24 1u0r s ARG 269 Ca 0.26 0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.87 1u0r s ARG 269 Cb -0.01 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 1u0r s ARG 269 CO 0.18 -0.27 0.53 -0.51 -0.81 0.00 0.00 175.30 174.42 1u0r s LEU 270 N 1.78 4.27 -0.14 -0.88 1.43 0.14 -1.66 118.68 123.63 1u0r s LEU 270 Ca 0.01 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1u0r s LEU 270 Cb -0.12 -2.78 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 1u0r s LEU 270 CO -0.03 -0.05 -0.17 -1.61 0.23 0.00 0.00 176.35 174.71 1u0r s GLU 271 N 0.82 3.20 -0.08 1.70 2.02 0.45 -1.12 118.70 125.68 1u0r s GLU 271 Ca 0.28 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.54 1u0r s GLU 271 Cb -0.16 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 1u0r s GLU 271 CO 0.12 0.08 -0.22 0.08 0.02 0.00 0.00 175.26 175.34 1u0r s VAL 272 N 0.64 1.84 0.26 2.63 1.01 0.14 -1.11 120.40 125.81 1u0r s VAL 272 Ca -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1u0r s VAL 272 Cb -0.16 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1u0r s VAL 272 CO 0.03 0.51 0.33 0.42 0.00 0.00 0.00 175.10 176.39 1u0r s THR 273 N 0.22 0.00 0.29 3.92 -4.23 -0.43 -1.39 115.64 114.02 1u0r s THR 273 Ca -0.12 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.37 1u0r s THR 273 Cb -0.16 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1u0r s THR 273 CO 0.06 0.00 1.06 -0.60 -0.54 0.00 0.00 174.62 174.60 1u0r s ARG 274 N -3.80 4.63 0.35 3.99 6.06 -1.26 -0.64 118.95 128.28 1u0r s ARG 274 Ca 0.32 1.70 -0.12 0.00 -2.50 0.00 0.00 55.73 55.13 1u0r s ARG 274 Cb 0.03 -3.13 -0.08 0.00 0.06 0.00 0.00 34.95 31.83 1u0r s ARG 274 CO 0.14 0.24 0.72 0.00 -2.50 0.00 0.00 175.30 173.91 1u0r h VAL 276 N 1.58 1.46 -3.56 0.00 -1.51 -1.94 -3.41 116.25 108.87 1u0r h VAL 276 Ca -0.47 -2.43 -0.68 0.00 -1.23 0.00 0.00 66.70 61.89 1u0r h VAL 276 Cb 1.18 2.33 -0.37 0.00 -2.13 0.00 0.00 31.29 32.29 1u0r h VAL 276 CO 0.65 0.71 -0.60 0.42 -1.23 0.00 0.00 177.57 177.52 1u0r s THR 277 N -3.37 2.89 1.09 7.19 -4.23 -1.26 -5.09 115.64 112.86 1u0r s THR 277 Ca -0.03 -2.36 -0.12 0.00 -1.18 0.00 0.00 61.69 58.00 1u0r s THR 277 Cb 0.11 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 71.17 1u0r s THR 277 CO 0.82 -0.68 1.06 -0.44 -0.54 0.00 0.00 174.62 174.83 1u0r s SER 278 N 1.19 1.59 0.18 3.99 0.01 -1.26 -4.91 113.70 114.49 1u0r s SER 278 Ca 0.11 1.61 -0.18 0.00 1.31 0.00 0.00 55.95 58.80 1u0r s SER 278 Cb -0.21 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1u0r s SER 278 CO -0.05 -3.83 0.64 -0.69 0.41 0.00 0.00 173.24 169.71 1u0r s VAL 279 N -2.57 4.69 -0.20 3.43 1.01 -1.19 -4.87 120.40 120.72 1u0r s VAL 279 Ca 0.68 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 1u0r s VAL 279 Cb -0.24 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1u0r s VAL 279 CO 0.62 0.26 0.12 -0.54 0.00 0.00 0.00 175.10 175.57 1u0r s LYS 280 N -1.87 4.15 -0.14 2.72 1.02 -1.26 -1.70 119.74 122.65 1u0r s LYS 280 Ca 0.39 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1u0r s LYS 280 Cb -0.16 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1u0r s LYS 280 CO 0.20 0.31 -0.16 -1.58 -0.92 0.00 0.00 175.35 173.20 1u0r s TRP 281 N 0.33 2.76 0.53 3.18 0.52 -0.92 -1.78 118.94 123.56 1u0r s TRP 281 Ca 0.08 -0.93 -0.21 0.00 0.02 0.00 0.00 56.10 55.05 1u0r s TRP 281 Cb -0.11 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1u0r s TRP 281 CO -0.02 -0.40 1.24 0.00 0.02 0.00 0.00 176.95 177.80 1u0r s ALA 282 N 0.64 2.78 -0.00 0.98 0.00 0.28 -0.72 121.76 125.72 1u0r s ALA 282 Ca -0.08 1.09 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1u0r s ALA 282 Cb -0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1u0r s ALA 282 CO 0.03 -1.05 -0.09 1.03 0.00 0.00 0.00 175.76 175.68 1u0r s ARG 283 N -2.97 0.68 0.00 0.00 1.81 -0.79 -4.86 118.95 112.83 1u0r s ARG 283 Ca 0.71 -0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 1u0r s ARG 283 Cb -0.33 -0.66 0.00 0.00 -0.45 0.00 0.00 34.95 33.51 1u0r s ARG 283 CO 0.38 0.18 0.00 1.28 -0.68 0.00 0.00 175.30 176.46 1u0r n LEU 284 N 2.81 0.00 -1.81 2.53 4.32 -1.26 -3.98 117.00 119.61 1u0r n LEU 284 Ca -0.14 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.77 1u0r n LEU 284 Cb 0.57 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.31 1u0r n LEU 284 CO 0.25 0.00 1.30 -0.67 -1.22 0.00 0.00 177.39 177.05 1u0r n ASP 285 N -1.68 5.53 -4.73 -1.43 2.03 -1.26 -4.92 116.55 110.09 1u0r n ASP 285 Ca 0.00 -2.57 -0.30 0.00 0.52 0.00 0.00 54.79 52.43 1u0r n ASP 285 Cb 0.00 -1.24 0.12 0.00 -0.72 0.00 0.00 41.12 39.29 1u0r n ASP 285 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1u0r s SER 286 N 1.66 3.80 0.69 1.67 1.04 -1.26 -5.02 113.70 116.28 1u0r s SER 286 Ca 0.33 1.62 -0.14 0.00 0.48 0.00 0.00 55.95 58.23 1u0r s SER 286 Cb 0.17 -2.30 0.02 0.00 0.10 0.00 0.00 66.02 64.01 1u0r s SER 286 CO -0.02 -2.45 1.13 0.00 0.98 0.00 0.00 173.24 172.88 1u0r s ALA 287 N -2.91 2.35 0.63 5.32 0.00 -1.26 -4.99 121.76 120.89 1u0r s ALA 287 Ca 0.63 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1u0r s ALA 287 Cb -0.18 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 1u0r s ALA 287 CO 0.57 -1.48 1.17 -2.14 0.00 0.00 0.00 175.76 173.88 1u0r s PRO 288 N -4.15 2.83 0.24 0.00 0.02 -1.26 -4.86 135.00 127.82 1u0r s PRO 288 Ca 0.68 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 63.30 1u0r s PRO 288 Cb -0.22 -1.93 0.41 0.00 0.02 0.00 0.00 34.50 32.78 1u0r s PRO 288 CO 0.44 -1.28 1.64 0.35 -0.33 0.00 0.00 177.00 177.82 1u0r h PHE 289 N 0.51 -0.04 -1.07 6.54 3.57 -1.97 0.78 116.94 125.26 1u0r h PHE 289 Ca -0.49 0.05 0.29 0.00 3.53 0.00 0.00 57.97 61.35 1u0r h PHE 289 Cb 1.28 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 40.04 1u0r h PHE 289 CO 0.49 -0.22 0.67 1.15 -2.23 0.00 0.00 178.31 178.17 1u0r h THR 290 N 0.11 0.45 0.02 4.41 2.02 -2.00 0.61 112.91 118.54 1u0r h THR 290 Ca 0.39 -0.13 -0.22 0.00 0.77 0.00 0.00 66.41 67.22 1u0r h THR 290 Cb 0.68 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1u0r h THR 290 CO -0.63 0.07 -0.97 0.44 0.37 0.00 0.00 175.52 174.80 1u0r h ASP 291 N 0.39 0.38 -0.13 4.18 3.32 -1.20 -2.64 116.42 120.72 1u0r h ASP 291 Ca 0.65 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1u0r h ASP 291 Cb 1.60 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 1u0r h ASP 291 CO -0.38 1.15 -0.01 0.03 -1.72 0.00 0.00 179.24 178.31 1u0r h ARG 292 N 0.14 0.23 -0.75 3.56 3.08 -0.59 -0.78 114.38 119.28 1u0r h ARG 292 Ca -0.07 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.02 1u0r h ARG 292 Cb 1.62 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.57 1u0r h ARG 292 CO 0.16 0.49 0.34 1.25 -1.07 0.00 0.00 179.97 181.14 1u0r h LEU 293 N -0.05 0.39 0.17 3.04 7.12 -1.19 0.11 115.31 124.90 1u0r h LEU 293 Ca 0.04 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 1u0r h LEU 293 Cb 0.39 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1u0r h LEU 293 CO 0.01 0.18 -0.08 0.58 -0.13 0.00 0.00 178.44 179.00 1u0r h VAL 294 N 0.53 0.93 -0.23 1.05 2.07 -1.10 -2.77 116.25 116.73 1u0r h VAL 294 Ca 0.40 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1u0r h VAL 294 Cb 0.53 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1u0r h VAL 294 CO -0.34 0.12 -0.03 -0.09 0.02 0.00 0.00 177.57 177.25 1u0r h ARG 295 N -0.50 0.03 -0.94 1.57 2.43 -1.04 0.79 114.38 116.71 1u0r h ARG 295 Ca -0.02 -0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.36 1u0r h ARG 295 Cb 0.38 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 29.81 1u0r h ARG 295 CO 0.04 0.02 0.51 -0.22 -1.51 0.00 0.00 179.97 178.81 1u0r h LYS 296 N 0.03 0.55 -0.00 0.20 3.11 -0.92 -2.62 116.57 116.91 1u0r h LYS 296 Ca 0.11 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1u0r h LYS 296 Cb 0.16 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1u0r h LYS 296 CO -0.22 0.36 0.00 1.19 -2.81 0.00 0.00 179.45 177.98 1u0r n PHE 297 N -4.91 0.00 -3.98 1.91 0.99 -1.05 -4.99 117.46 105.42 1u0r n PHE 297 Ca 0.23 -0.48 -0.33 0.00 -0.00 0.00 0.00 57.45 56.87 1u0r n PHE 297 Cb 0.63 -0.05 -0.01 0.00 -1.00 0.00 0.00 39.48 39.06 1u0r n PHE 297 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1u0r n ARG 298 N -0.48 -1.64 -2.67 -1.08 5.12 0.14 -4.86 116.66 111.19 1u0r n ARG 298 Ca 0.00 0.28 -0.42 0.00 -1.93 0.00 0.00 57.85 55.79 1u0r n ARG 298 Cb 0.24 -3.79 -0.03 0.00 -1.16 0.00 0.00 32.46 27.72 1u0r n ARG 298 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1u0r s LEU 299 N -7.03 4.39 0.15 0.55 1.02 -0.43 -4.99 118.68 112.33 1u0r s LEU 299 Ca 0.24 1.73 -0.31 0.00 0.02 0.00 0.00 54.13 55.81 1u0r s LEU 299 Cb -0.11 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.44 1u0r s LEU 299 CO 0.92 -0.26 1.41 -2.84 0.02 0.00 0.00 176.35 175.60 1u0r s PRO 300 N 0.85 4.31 -0.03 1.29 0.02 -1.26 -4.92 135.00 135.26 1u0r s PRO 300 Ca 0.52 2.14 0.08 0.00 0.02 0.00 0.00 61.00 63.75 1u0r s PRO 300 Cb -0.23 -3.21 0.13 0.00 0.02 0.00 0.00 34.50 31.21 1u0r s PRO 300 CO 0.29 -0.44 1.06 1.55 -0.33 0.00 0.00 177.00 179.13 1u0r n VAL 301 N 3.63 0.46 -1.87 3.83 3.14 -1.26 -5.09 118.33 121.17 1u0r n VAL 301 Ca 0.11 -0.71 -0.36 0.00 -2.96 0.00 0.00 64.34 60.42 1u0r n VAL 301 Cb 0.42 0.39 0.05 0.00 -1.06 0.00 0.00 33.84 33.63 1u0r n VAL 301 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1u0r s THR 302 N -0.69 2.57 0.00 1.55 -4.23 -1.26 -3.71 115.64 109.86 1u0r s THR 302 Ca 0.12 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1u0r s THR 302 Cb 0.12 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1u0r s THR 302 CO -0.02 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1u0r n GLY 303 N 0.45 0.77 3.70 3.99 0.00 -1.26 -5.04 105.19 107.80 1u0r n GLY 303 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1u0r n GLY 303 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1u0r s TRP 304 N -2.40 3.11 0.00 1.61 -0.00 -1.24 -5.36 118.94 114.66 1u0r s TRP 304 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 1u0r s TRP 304 Cb 0.00 -3.58 0.00 0.00 -0.00 0.00 0.00 33.47 29.89 1u0r s TRP 304 CO 0.00 -2.04 0.00 -2.13 -0.00 0.00 0.00 176.95 172.78