#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r s THR 6 N 0.00 1.41 0.11 0.52 -4.23 -1.26 -4.82 115.64 107.37 2x9r s THR 6 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2x9r s THR 6 Cb 0.00 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 2x9r s THR 6 CO 0.00 0.00 1.53 -0.29 -0.54 0.00 0.00 174.62 175.32 2x9r h ILE 7 N -3.10 1.27 -0.14 2.99 6.09 -2.06 -2.91 117.51 119.66 2x9r h ILE 7 Ca -0.46 -1.07 0.04 0.00 -1.37 0.00 0.00 64.86 62.00 2x9r h ILE 7 Cb 1.33 1.27 -0.04 0.00 0.47 0.00 0.00 36.82 39.85 2x9r h ILE 7 CO 0.33 0.35 -0.10 -1.13 -3.07 0.00 0.00 178.15 174.53 2x9r h ASN 8 N 0.43 -0.31 -0.79 2.19 -0.00 -1.99 0.17 115.58 115.29 2x9r h ASN 8 Ca 0.09 0.07 0.21 0.00 -0.00 0.00 0.00 56.30 56.67 2x9r h ASN 8 Cb 0.53 0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 38.97 2x9r h ASN 8 CO 0.03 -0.13 0.55 1.56 -0.00 0.00 0.00 177.43 179.44 2x9r h GLN 9 N -0.10 0.14 0.01 6.67 4.20 -1.89 0.42 115.11 124.57 2x9r h GLN 9 Ca 0.09 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 2x9r h GLN 9 Cb 0.23 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2x9r h GLN 9 CO -0.20 0.09 -0.92 -0.07 -0.67 0.00 0.00 178.83 177.06 2x9r h LEU 10 N 0.15 0.27 -1.15 1.46 3.38 -0.55 0.35 115.31 119.21 2x9r h LEU 10 Ca 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2x9r h LEU 10 Cb 1.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2x9r h LEU 10 CO -0.06 1.05 0.00 0.58 0.09 0.00 0.00 178.44 180.10 2x9r h VAL 11 N 0.11 0.00 0.00 1.22 2.07 0.17 -2.37 116.25 117.45 2x9r h VAL 11 Ca -0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2x9r h VAL 11 Cb 1.57 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2x9r h VAL 11 CO 0.14 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.27 2x9r n ARG 12 N -2.67 0.00 0.20 1.57 1.74 -0.53 -4.80 116.66 112.17 2x9r n ARG 12 Ca 0.01 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 2x9r n ARG 12 Cb 0.26 -0.35 -0.08 0.00 -1.02 0.00 0.00 32.46 31.27 2x9r n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2x9r h LYS 13 N 0.00 -0.44 -0.36 5.56 6.56 -0.47 -3.49 116.57 123.93 2x9r h LYS 13 Ca 0.00 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.66 2x9r h LYS 13 Cb 0.00 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 2x9r h LYS 13 CO 0.00 -0.29 -0.08 0.41 -2.06 0.00 0.00 179.45 177.43 2x9r n GLY 14 N -1.29 -1.65 3.88 3.86 0.00 -0.89 -4.90 105.19 104.20 2x9r n GLY 14 Ca -0.10 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 2x9r n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9r s ARG 15 N -1.59 3.57 -0.20 1.61 1.81 -1.26 -4.96 118.95 117.92 2x9r s ARG 15 Ca 0.00 -0.03 -0.19 0.00 -1.72 0.00 0.00 55.73 53.79 2x9r s ARG 15 Cb 0.00 -3.15 -0.03 0.00 -0.45 0.00 0.00 34.95 31.32 2x9r s ARG 15 CO 0.00 0.72 0.55 -2.00 -0.68 0.00 0.00 175.30 173.89 2x9r s GLU 16 N -1.33 4.19 0.15 3.54 2.12 -1.26 -5.04 118.70 121.06 2x9r s GLU 16 Ca 0.21 0.48 -0.30 0.00 0.36 0.00 0.00 54.97 55.72 2x9r s GLU 16 Cb -0.13 -3.57 -0.07 0.00 0.26 0.00 0.00 34.13 30.61 2x9r s GLU 16 CO 0.10 -0.19 1.22 0.21 -0.54 0.00 0.00 175.26 176.06 2x9r s LYS 17 N 1.77 4.46 0.00 4.30 2.36 -1.26 -5.00 119.74 126.36 2x9r s LYS 17 Ca 0.25 1.87 0.00 0.00 -2.55 0.00 0.00 55.97 55.55 2x9r s LYS 17 Cb -0.16 -3.27 0.00 0.00 -1.05 0.00 0.00 37.83 33.36 2x9r s LYS 17 CO 0.10 -0.17 0.00 1.33 1.55 0.00 0.00 175.35 178.16 2x9r n VAL 18 N 3.01 0.00 -0.33 4.02 0.24 -1.26 -5.01 118.33 119.00 2x9r n VAL 18 Ca 0.06 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2x9r n VAL 18 Cb 0.45 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 2x9r n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2x9r n ARG 19 N 0.00 0.00 -2.58 7.34 0.63 -1.26 -5.11 116.66 115.69 2x9r n ARG 19 Ca 0.00 0.11 -0.30 0.00 -0.92 0.00 0.00 57.85 56.74 2x9r n ARG 19 Cb 0.00 -0.22 -0.02 0.00 0.45 0.00 0.00 32.46 32.67 2x9r n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2x9r s LYS 20 N -0.08 3.73 -0.17 -0.14 -2.85 -1.26 -5.08 119.74 113.89 2x9r s LYS 20 Ca 0.00 0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 55.47 2x9r s LYS 20 Cb 0.00 -2.30 -0.02 0.00 -2.06 0.00 0.00 37.83 33.45 2x9r s LYS 20 CO 0.00 -0.20 -0.05 0.15 0.10 0.00 0.00 175.35 175.36 2x9r s LYS 21 N -4.29 3.55 -0.76 1.78 1.02 -1.26 -5.02 119.74 114.77 2x9r s LYS 21 Ca 0.52 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.69 2x9r s LYS 21 Cb -0.10 -2.92 -0.16 0.00 -0.52 0.00 0.00 37.83 34.12 2x9r s LYS 21 CO 0.38 0.10 2.46 0.45 -0.92 0.00 0.00 175.35 177.82 2x9r n SER 22 N 3.94 1.16 0.00 2.83 2.88 -1.26 -4.69 113.62 118.47 2x9r n SER 22 Ca -0.18 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 2x9r n SER 22 Cb 0.52 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2x9r n SER 22 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2x9r n LYS 23 N 8.36 0.00 -3.15 -1.46 4.81 -1.26 -3.85 118.16 121.60 2x9r n LYS 23 Ca 0.51 0.17 0.04 0.00 -0.87 0.00 0.00 58.31 58.16 2x9r n LYS 23 Cb 0.33 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 2x9r n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2x9r s VAL 24 N -2.19 -0.77 -1.22 3.15 1.01 -1.26 -5.02 120.40 114.10 2x9r s VAL 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 2x9r s VAL 24 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2x9r s VAL 24 CO 0.00 0.00 1.82 -2.16 0.00 0.00 0.00 175.10 174.76 2x9r s PRO 25 N 2.88 3.23 0.00 2.72 0.04 -1.25 -4.68 135.00 137.95 2x9r s PRO 25 Ca 0.15 -1.53 0.00 0.00 0.04 0.00 0.00 61.00 59.66 2x9r s PRO 25 Cb -0.10 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.06 2x9r s PRO 25 CO -0.22 -3.10 0.09 0.00 0.04 0.00 0.00 177.00 173.82 2x9r n ALA 26 N 11.38 1.37 -1.92 8.56 0.00 -1.26 -4.78 120.51 133.86 2x9r n ALA 26 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2x9r n ALA 26 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2x9r n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x9r n LEU 27 N 0.63 -5.75 0.00 0.00 7.99 -1.26 -4.16 117.00 114.45 2x9r n LEU 27 Ca 0.00 3.10 0.00 0.00 -0.01 0.00 0.00 56.01 59.10 2x9r n LEU 27 Cb 0.05 -3.08 0.00 0.00 -0.11 0.00 0.00 43.42 40.27 2x9r n LEU 27 CO 0.00 -0.76 0.00 1.17 -1.51 0.00 0.00 177.39 176.29 2x9r n LYS 28 N 0.78 0.00 -2.04 3.23 4.81 -1.26 -2.34 118.16 121.34 2x9r n LYS 28 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2x9r n LYS 28 Cb 0.00 -2.48 -0.00 0.00 0.02 0.00 0.00 35.03 32.57 2x9r n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x9r n GLY 29 N -1.53 0.33 3.95 3.14 0.00 -1.26 -5.05 105.19 104.78 2x9r n GLY 29 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 2x9r n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9r s ALA 30 N -2.10 3.73 0.13 4.61 0.00 -0.99 -5.01 121.76 122.13 2x9r s ALA 30 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 2x9r s ALA 30 Cb -0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2x9r s ALA 30 CO 0.00 -0.44 1.66 -1.35 0.00 0.00 0.00 175.76 175.63 2x9r h PRO 31 N 0.33 -0.24 0.00 0.00 0.11 -1.90 -3.45 132.00 126.84 2x9r h PRO 31 Ca -0.46 0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.39 2x9r h PRO 31 Cb 1.26 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 2x9r h PRO 31 CO 0.57 -0.16 -0.25 1.19 -0.21 0.00 0.00 178.00 179.14 2x9r n PHE 32 N -5.33 -0.15 -3.66 0.65 3.72 -1.26 -4.77 117.46 106.66 2x9r n PHE 32 Ca -0.03 -1.43 -0.08 0.00 -0.05 0.00 0.00 57.45 55.85 2x9r n PHE 32 Cb 0.24 0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.76 2x9r n PHE 32 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2x9r s ARG 33 N -2.78 0.57 0.59 -1.08 6.06 -0.98 -4.97 118.95 116.37 2x9r s ARG 33 Ca 0.16 1.05 -0.17 0.00 -2.50 0.00 0.00 55.73 54.27 2x9r s ARG 33 Cb 0.01 0.09 -0.04 0.00 0.06 0.00 0.00 34.95 35.07 2x9r s ARG 33 CO 0.11 -0.16 1.08 0.50 -2.50 0.00 0.00 175.30 174.34 2x9r s ARG 34 N 1.59 3.23 0.18 5.12 3.52 -1.26 -1.42 118.95 129.91 2x9r s ARG 34 Ca -0.10 1.34 -0.21 0.00 -0.13 0.00 0.00 55.73 56.63 2x9r s ARG 34 Cb -0.07 -2.01 0.05 0.00 -1.56 0.00 0.00 34.95 31.37 2x9r s ARG 34 CO -0.17 -0.90 0.59 0.20 -0.81 0.00 0.00 175.30 174.21 2x9r s GLY 35 N -2.47 -0.45 -0.07 8.12 0.00 0.37 -3.21 107.32 109.61 2x9r s GLY 35 Ca 0.66 0.24 0.06 0.00 0.00 0.00 0.00 44.72 45.68 2x9r s GLY 35 CO 0.35 0.03 -0.25 0.14 0.00 0.00 0.00 173.10 173.37 2x9r s VAL 36 N -3.80 2.06 -0.01 1.40 1.01 -0.83 -0.13 120.40 120.10 2x9r s VAL 36 Ca 0.04 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 2x9r s VAL 36 Cb -0.02 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2x9r s VAL 36 CO -0.09 0.57 1.26 0.00 0.00 0.00 0.00 175.10 176.84 2x9r n THR 38 N 4.48 1.55 -3.78 0.00 -2.24 -0.61 -3.11 114.28 110.57 2x9r n THR 38 Ca 0.11 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2x9r n THR 38 Cb 0.45 -1.52 -0.10 0.00 -2.10 0.00 0.00 70.33 67.06 2x9r n THR 38 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2x9r s VAL 39 N -2.52 0.02 -0.19 2.28 1.01 -1.22 -4.85 120.40 114.93 2x9r s VAL 39 Ca -0.33 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2x9r s VAL 39 Cb 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.03 2x9r s VAL 39 CO 0.62 -0.09 -0.16 0.68 0.00 0.00 0.00 175.10 176.15 2x9r s VAL 40 N -0.33 1.89 0.09 2.92 -7.23 -1.26 -1.40 120.40 115.08 2x9r s VAL 40 Ca -0.04 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 2x9r s VAL 40 Cb -0.03 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2x9r s VAL 40 CO 0.01 0.37 0.08 -0.60 -0.31 0.00 0.00 175.10 174.65 2x9r s ARG 41 N 1.33 0.79 -0.37 4.82 3.00 -0.56 -5.02 118.95 122.93 2x9r s ARG 41 Ca 0.02 -1.18 -0.11 0.00 -1.00 0.00 0.00 55.73 53.46 2x9r s ARG 41 Cb -0.15 0.27 0.02 0.00 0.00 0.00 0.00 34.95 35.10 2x9r s ARG 41 CO -0.10 -0.21 0.21 -0.08 0.00 0.00 0.00 175.30 175.11 2x9r s THR 42 N -3.93 4.63 0.07 4.11 -1.32 -1.26 -1.38 115.64 116.56 2x9r s THR 42 Ca 0.10 -0.81 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 2x9r s THR 42 Cb 0.07 -3.57 -0.04 0.00 -1.51 0.00 0.00 72.50 67.45 2x9r s THR 42 CO -0.07 -0.22 -0.02 0.68 -2.21 0.00 0.00 174.62 172.78 2x9r s VAL 43 N 1.57 3.94 0.26 5.08 -7.23 -0.29 -4.84 120.40 118.89 2x9r s VAL 43 Ca 0.02 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.09 2x9r s VAL 43 Cb -0.19 -2.84 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 2x9r s VAL 43 CO 0.07 0.18 0.70 0.42 -0.31 0.00 0.00 175.10 176.17 2x9r s THR 44 N -1.24 4.67 0.97 5.32 -4.23 -1.26 -0.13 115.64 119.73 2x9r s THR 44 Ca 0.24 1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 61.67 2x9r s THR 44 Cb -0.12 -3.72 0.17 0.00 1.34 0.00 0.00 72.50 70.18 2x9r s THR 44 CO 0.16 0.01 1.09 -2.84 -0.54 0.00 0.00 174.62 172.50 2x9r s PRO 45 N -2.49 0.67 0.00 3.99 0.02 -1.26 -4.92 135.00 131.01 2x9r s PRO 45 Ca 0.48 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.53 2x9r s PRO 45 Cb -0.13 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2x9r s PRO 45 CO 0.19 -2.71 0.00 1.17 -0.33 0.00 0.00 177.00 175.33 2x9r n LYS 46 N -4.23 0.00 0.00 5.54 4.81 0.30 -4.86 118.16 119.72 2x9r n LYS 46 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2x9r n LYS 46 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 2x9r n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2x9r n LYS 47 N 0.00 0.00 0.00 1.64 0.00 -1.26 -4.59 118.16 113.95 2x9r n LYS 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2x9r n LYS 47 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.00 2x9r n LYS 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2x9r n PRO 48 N -0.61 0.38 -4.15 1.64 -0.04 -1.26 -4.65 135.00 126.31 2x9r n PRO 48 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2x9r n PRO 48 Cb 0.00 -1.25 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 2x9r n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2x9r s ASN 49 N 0.16 1.22 -0.06 3.54 0.02 -1.26 -5.15 114.94 113.41 2x9r s ASN 49 Ca 0.00 -0.52 -0.03 0.00 -1.02 0.00 0.00 52.86 51.29 2x9r s ASN 49 Cb 0.00 -0.02 0.03 0.00 0.02 0.00 0.00 41.25 41.28 2x9r s ASN 49 CO 0.00 -0.10 0.14 -0.55 0.02 0.00 0.00 177.10 176.60 2x9r s SER 50 N -1.44 -0.12 0.00 -1.22 0.15 -1.26 -4.37 113.70 105.44 2x9r s SER 50 Ca -0.05 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2x9r s SER 50 Cb -0.09 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2x9r s SER 50 CO 0.01 -0.10 0.00 0.00 1.20 0.00 0.00 173.24 174.35 2x9r n ALA 51 N 3.67 0.00 -3.81 5.45 0.00 -1.26 -4.95 120.51 119.61 2x9r n ALA 51 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 2x9r n ALA 51 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 2x9r n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2x9r s LEU 52 N 0.00 3.56 -0.04 0.00 1.43 -1.26 -4.07 118.68 118.30 2x9r s LEU 52 Ca 0.00 -3.00 -0.30 0.00 -1.03 0.00 0.00 54.13 49.80 2x9r s LEU 52 Cb 0.00 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2x9r s LEU 52 CO 0.00 -0.22 1.22 -0.13 0.23 0.00 0.00 176.35 177.46 2x9r s ARG 53 N -0.21 4.35 -0.67 1.70 3.00 0.81 -4.74 118.95 123.20 2x9r s ARG 53 Ca 0.20 1.71 -0.27 0.00 0.00 0.00 0.00 55.73 57.37 2x9r s ARG 53 Cb -0.20 -3.54 0.02 0.00 0.00 0.00 0.00 34.95 31.24 2x9r s ARG 53 CO -0.04 -0.44 1.31 0.15 0.00 0.00 0.00 175.30 176.28 2x9r s LYS 54 N 2.13 3.26 0.47 3.54 3.01 -1.26 -1.14 119.74 129.74 2x9r s LYS 54 Ca 0.57 0.04 0.03 0.00 -1.01 0.00 0.00 55.97 55.60 2x9r s LYS 54 Cb -0.26 -4.14 -0.03 0.00 -1.01 0.00 0.00 37.83 32.39 2x9r s LYS 54 CO 0.23 -2.03 0.01 0.14 0.51 0.00 0.00 175.35 174.21 2x9r s VAL 55 N 5.79 1.39 -0.06 3.17 -7.23 -0.48 -0.78 120.40 122.21 2x9r s VAL 55 Ca 0.42 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.33 2x9r s VAL 55 Cb -0.09 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.48 2x9r s VAL 55 CO 0.19 0.00 0.58 0.00 -0.31 0.00 0.00 175.10 175.57 2x9r s ALA 56 N -2.85 -1.50 -0.20 1.32 0.00 0.76 -1.50 121.76 117.80 2x9r s ALA 56 Ca 0.16 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 2x9r s ALA 56 Cb 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2x9r s ALA 56 CO 0.08 -0.33 0.16 0.15 0.00 0.00 0.00 175.76 175.82 2x9r s LYS 57 N -1.07 4.20 -0.08 0.00 1.02 -0.49 0.16 119.74 123.47 2x9r s LYS 57 Ca -0.11 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2x9r s LYS 57 Cb -0.02 -3.43 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2x9r s LYS 57 CO 0.08 0.27 -0.18 0.08 -0.92 0.00 0.00 175.35 174.67 2x9r s VAL 58 N 0.43 1.62 -0.44 3.17 1.01 -0.61 -1.58 120.40 124.00 2x9r s VAL 58 Ca 0.10 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2x9r s VAL 58 Cb -0.11 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2x9r s VAL 58 CO -0.01 0.46 1.23 -0.60 0.00 0.00 0.00 175.10 176.19 2x9r s ARG 59 N 0.47 3.71 0.62 2.72 6.06 -0.16 -3.27 118.95 129.09 2x9r s ARG 59 Ca -0.16 0.76 -0.09 0.00 -2.50 0.00 0.00 55.73 53.74 2x9r s ARG 59 Cb -0.17 -3.93 -0.00 0.00 0.06 0.00 0.00 34.95 30.91 2x9r s ARG 59 CO 0.06 -1.39 0.97 -0.51 -2.50 0.00 0.00 175.30 171.93 2x9r s LEU 60 N 4.71 3.18 0.00 -0.88 2.01 -1.21 -1.97 118.68 124.52 2x9r s LEU 60 Ca 0.53 1.01 0.00 0.00 0.01 0.00 0.00 54.13 55.67 2x9r s LEU 60 Cb -0.10 -3.88 0.00 0.00 0.01 0.00 0.00 46.19 42.22 2x9r s LEU 60 CO 0.30 -1.05 1.07 0.35 1.01 0.00 0.00 176.35 178.03 2x9r n THR 61 N -2.71 1.07 -1.26 5.49 -2.24 -1.20 -2.23 114.28 111.21 2x9r n THR 61 Ca 0.05 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2x9r n THR 61 Cb 0.56 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2x9r n THR 61 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2x9r n SER 62 N 0.70 0.00 0.00 3.42 7.64 -1.26 -5.01 113.62 119.11 2x9r n SER 62 Ca 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2x9r n SER 62 Cb 0.46 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2x9r n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x9r n GLY 63 N 0.00 2.59 0.00 0.23 0.00 -0.95 -5.02 105.19 102.04 2x9r n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2x9r n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x9r n TYR 64 N -2.00 -2.03 -1.97 1.61 4.02 -1.26 -4.82 117.16 110.71 2x9r n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2x9r n TYR 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2x9r n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2x9r n GLU 65 N -0.83 0.00 -0.71 -0.72 2.13 -1.20 -3.29 120.64 116.01 2x9r n GLU 65 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2x9r n GLU 65 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 2x9r n GLU 65 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2x9r n VAL 66 N 0.00 0.43 -3.06 6.31 0.24 -1.24 -2.20 118.33 118.81 2x9r n VAL 66 Ca 0.00 -0.27 -0.39 0.00 -2.04 0.00 0.00 64.34 61.64 2x9r n VAL 66 Cb 0.28 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 2x9r n VAL 66 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2x9r s THR 67 N -0.87 4.55 0.32 3.34 -4.23 -1.26 -1.58 115.64 115.92 2x9r s THR 67 Ca 0.32 1.56 0.04 0.00 -1.18 0.00 0.00 61.69 62.43 2x9r s THR 67 Cb -0.36 -4.07 -0.06 0.00 1.34 0.00 0.00 72.50 69.34 2x9r s THR 67 CO 0.34 0.49 0.04 0.00 -0.54 0.00 0.00 174.62 174.95 2x9r s ALA 68 N -0.87 2.41 0.08 3.99 0.00 0.42 -4.03 121.76 123.77 2x9r s ALA 68 Ca 0.34 -2.06 0.03 0.00 0.00 0.00 0.00 51.96 50.28 2x9r s ALA 68 Cb -0.22 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2x9r s ALA 68 CO 0.24 -0.27 0.09 -0.47 0.00 0.00 0.00 175.76 175.34 2x9r s TYR 69 N -3.23 3.20 -0.35 0.00 5.04 0.39 -0.17 117.35 122.24 2x9r s TYR 69 Ca 0.36 0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2x9r s TYR 69 Cb 0.08 -1.62 0.08 0.00 0.35 0.00 0.00 41.96 40.86 2x9r s TYR 69 CO 0.15 0.52 0.09 0.42 -1.34 0.00 0.00 175.55 175.40 2x9r s ILE 70 N -1.42 3.03 0.00 3.14 1.01 0.04 -0.11 121.20 126.89 2x9r s ILE 70 Ca 0.30 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 59.16 2x9r s ILE 70 Cb -0.12 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2x9r s ILE 70 CO 0.22 -0.41 0.00 -2.65 0.00 0.00 0.00 174.94 172.10 2x9r n PRO 71 N 4.57 1.09 0.00 2.79 -0.02 -1.26 -4.64 135.00 137.52 2x9r n PRO 71 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2x9r n PRO 71 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2x9r n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9r n GLY 72 N 1.76 -0.06 2.95 -1.23 0.00 -1.26 -4.62 105.19 102.72 2x9r n GLY 72 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2x9r n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x9r s GLU 73 N 0.00 1.56 0.00 1.61 2.02 -1.26 -5.02 118.70 117.61 2x9r s GLU 73 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2x9r s GLU 73 Cb 0.00 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2x9r s GLU 73 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 174.97 2x9r n GLY 74 N 4.56 1.20 3.10 -1.39 0.00 -1.26 -4.78 105.19 106.62 2x9r n GLY 74 Ca -0.07 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 2x9r n GLY 74 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2x9r s HIS 75 N -0.76 0.42 -0.63 1.61 -3.43 -1.26 -4.92 115.29 106.33 2x9r s HIS 75 Ca 0.00 -0.92 0.01 0.00 -0.80 0.00 0.00 55.06 53.35 2x9r s HIS 75 Cb 0.00 -0.31 0.40 0.00 -1.43 0.00 0.00 32.58 31.24 2x9r s HIS 75 CO 0.00 -0.39 1.62 0.27 -2.00 0.00 0.00 174.74 174.24 2x9r n ASN 76 N 0.24 6.29 -4.26 7.38 6.94 -1.26 -4.97 115.26 125.62 2x9r n ASN 76 Ca -0.15 -3.78 -0.39 0.00 -0.02 0.00 0.00 54.58 50.23 2x9r n ASN 76 Cb 0.61 -0.77 -0.11 0.00 -2.36 0.00 0.00 39.78 37.15 2x9r n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2x9r s LEU 77 N -3.81 4.97 0.00 -4.53 1.43 -1.26 -4.84 118.68 110.64 2x9r s LEU 77 Ca 0.52 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2x9r s LEU 77 Cb 0.43 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2x9r s LEU 77 CO -0.25 -0.49 0.00 0.00 0.23 0.00 0.00 176.35 175.84 2x9r n GLN 78 N 4.86 0.33 -0.34 1.70 6.02 -1.26 -4.84 117.38 123.86 2x9r n GLN 78 Ca -0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.95 2x9r n GLN 78 Cb 0.43 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.90 2x9r n GLN 78 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2x9r n GLU 79 N -0.61 2.49 -0.32 -1.09 2.13 -1.26 -4.12 120.64 117.86 2x9r n GLU 79 Ca 0.00 -1.65 0.00 0.00 0.66 0.00 0.00 57.16 56.17 2x9r n GLU 79 Cb 0.00 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2x9r n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2x9r n HIS 80 N 0.60 0.00 -2.27 4.31 8.25 -1.18 -4.14 115.22 120.80 2x9r n HIS 80 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 2x9r n HIS 80 Cb 0.53 0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 2x9r n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2x9r s SER 81 N -0.30 6.97 1.13 0.41 0.01 -1.26 -4.47 113.70 116.19 2x9r s SER 81 Ca 0.00 2.44 -0.14 0.00 1.31 0.00 0.00 55.95 59.56 2x9r s SER 81 Cb 0.00 -2.63 0.26 0.00 0.21 0.00 0.00 66.02 63.87 2x9r s SER 81 CO 0.00 -0.42 1.05 -0.69 0.41 0.00 0.00 173.24 173.59 2x9r s VAL 82 N -0.58 1.94 -0.23 3.43 1.01 -1.26 -1.29 120.40 123.41 2x9r s VAL 82 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 61.98 62.15 2x9r s VAL 82 Cb -0.36 -2.25 0.16 0.00 0.00 0.00 0.00 36.38 33.93 2x9r s VAL 82 CO 0.43 0.00 1.26 -0.69 0.00 0.00 0.00 175.10 176.10 2x9r s VAL 83 N -2.67 0.00 -0.07 2.92 1.01 0.82 -3.47 120.40 118.94 2x9r s VAL 83 Ca 0.68 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2x9r s VAL 83 Cb -0.21 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2x9r s VAL 83 CO 0.61 0.00 -0.08 -0.22 0.00 0.00 0.00 175.10 175.41 2x9r s LEU 84 N -1.74 3.07 -0.11 3.92 0.20 -1.26 -0.47 118.68 122.30 2x9r s LEU 84 Ca 0.09 -0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.84 2x9r s LEU 84 Cb -0.01 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2x9r s LEU 84 CO -0.05 0.34 -0.14 -0.51 -0.29 0.00 0.00 176.35 175.70 2x9r s ILE 85 N -0.65 3.04 -0.22 6.68 1.10 -0.50 -1.69 121.20 128.95 2x9r s ILE 85 Ca 0.10 -0.69 -0.16 0.00 -0.51 0.00 0.00 60.65 59.39 2x9r s ILE 85 Cb -0.11 -2.25 -0.09 0.00 0.15 0.00 0.00 42.46 40.16 2x9r s ILE 85 CO 0.02 0.54 -0.35 -1.14 -2.11 0.00 0.00 174.94 171.90 2x9r n ARG 86 N 3.17 0.55 0.00 3.50 0.63 0.33 -2.31 116.66 122.52 2x9r n ARG 86 Ca -0.18 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2x9r n ARG 86 Cb 0.53 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.99 2x9r n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2x9r n GLY 87 N 1.39 3.25 0.00 5.14 0.00 -1.25 -4.72 105.19 109.01 2x9r n GLY 87 Ca -0.32 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2x9r n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9r n GLY 88 N -0.93 1.27 0.00 -0.02 0.00 -1.15 -4.02 105.19 100.34 2x9r n GLY 88 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2x9r n GLY 88 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2x9r n ARG 89 N 0.91 0.85 -2.89 1.61 -4.01 -1.25 -3.86 116.66 108.01 2x9r n ARG 89 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 2x9r n ARG 89 Cb 0.00 0.00 0.03 0.00 -3.04 0.00 0.00 32.46 29.45 2x9r n ARG 89 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2x9r n VAL 90 N -1.68 -0.12 -1.26 8.89 0.31 -1.22 -4.79 118.33 118.46 2x9r n VAL 90 Ca 0.00 -2.49 -0.11 0.00 -0.01 0.00 0.00 64.34 61.73 2x9r n VAL 90 Cb 0.00 0.69 -0.12 0.00 -0.91 0.00 0.00 33.84 33.50 2x9r n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2x9r n LYS 91 N 0.77 0.01 0.00 5.55 3.00 -1.26 -0.90 118.16 125.32 2x9r n LYS 91 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2x9r n LYS 91 Cb 0.65 -1.09 0.00 0.00 0.00 0.00 0.00 35.03 34.60 2x9r n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2x9r n ASP 92 N 5.45 0.00 -3.57 3.14 2.03 -1.26 -5.04 116.55 117.31 2x9r n ASP 92 Ca 0.35 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.39 2x9r n ASP 92 Cb 0.32 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.62 2x9r n ASP 92 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2x9r n LEU 93 N 0.00 1.61 -4.69 -2.67 4.77 -0.08 0.11 117.00 116.05 2x9r n LEU 93 Ca 0.00 -4.90 -0.64 0.00 -0.03 0.00 0.00 56.01 50.43 2x9r n LEU 93 Cb 0.00 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 2x9r n LEU 93 CO 0.00 1.88 1.04 -2.65 -1.33 0.00 0.00 177.39 176.32 2x9r n PRO 94 N 2.02 0.16 0.00 3.23 -0.02 -1.26 -2.70 135.00 136.43 2x9r n PRO 94 Ca 0.25 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2x9r n PRO 94 Cb 0.42 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2x9r n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9r n GLY 95 N 3.43 1.38 2.91 -1.23 0.00 -1.26 -5.11 105.19 105.32 2x9r n GLY 95 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 2x9r n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9r s VAL 96 N -2.00 0.48 0.00 1.61 1.01 -1.10 -4.62 120.40 115.79 2x9r s VAL 96 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 61.98 61.97 2x9r s VAL 96 Cb 0.00 -0.49 0.22 0.00 0.00 0.00 0.00 36.38 36.11 2x9r s VAL 96 CO 0.00 0.19 1.05 0.54 0.00 0.00 0.00 175.10 176.88 2x9r n ARG 97 N 3.72 0.00 -3.79 2.72 1.74 -1.26 -3.43 116.66 116.37 2x9r n ARG 97 Ca -0.22 -1.43 -0.13 0.00 -0.77 0.00 0.00 57.85 55.30 2x9r n ARG 97 Cb 0.53 -0.09 -0.09 0.00 -1.02 0.00 0.00 32.46 31.79 2x9r n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2x9r s TYR 98 N 0.00 -0.12 -0.00 -1.55 1.51 -1.25 -2.95 117.35 112.99 2x9r s TYR 98 Ca 0.17 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.44 2x9r s TYR 98 Cb 0.20 0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 42.08 2x9r s TYR 98 CO -0.09 -0.38 -0.25 -1.01 -1.11 0.00 0.00 175.55 172.72 2x9r s HIS 99 N -1.49 2.37 -0.51 2.71 3.76 -1.26 -0.46 115.29 120.42 2x9r s HIS 99 Ca -0.13 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.14 2x9r s HIS 99 Cb -0.05 -1.48 0.04 0.00 1.11 0.00 0.00 32.58 32.19 2x9r s HIS 99 CO 0.03 0.04 0.88 0.42 -0.85 0.00 0.00 174.74 175.25 2x9r s ILE 100 N -0.69 4.50 -0.41 0.60 1.01 0.84 0.12 121.20 127.17 2x9r s ILE 100 Ca 0.11 0.35 -0.35 0.00 0.00 0.00 0.00 60.65 60.76 2x9r s ILE 100 Cb -0.10 -4.45 -0.12 0.00 0.01 0.00 0.00 42.46 37.80 2x9r s ILE 100 CO 0.00 -0.95 2.24 0.52 0.00 0.00 0.00 174.94 176.76 2x9r n VAL 101 N 6.18 0.14 -2.08 2.92 0.31 -0.68 -4.65 118.33 120.47 2x9r n VAL 101 Ca 0.02 -0.27 -0.40 0.00 -0.01 0.00 0.00 64.34 63.67 2x9r n VAL 101 Cb 0.48 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 2x9r n VAL 101 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2x9r s ARG 102 N 6.57 4.26 0.00 5.55 1.81 -1.26 -3.59 118.95 132.30 2x9r s ARG 102 Ca 1.11 2.23 0.00 0.00 -1.72 0.00 0.00 55.73 57.35 2x9r s ARG 102 Cb -0.86 -3.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.64 2x9r s ARG 102 CO 0.48 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.24 2x9r n GLY 103 N 0.74 0.50 3.38 -3.53 0.00 -1.09 -4.01 105.19 101.18 2x9r n GLY 103 Ca 0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 2x9r n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9r s VAL 104 N -2.00 2.13 0.00 1.61 1.01 -0.34 -4.85 120.40 117.96 2x9r s VAL 104 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2x9r s VAL 104 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2x9r s VAL 104 CO 0.00 -0.09 0.00 -1.22 0.00 0.00 0.00 175.10 173.79 2x9r n TYR 105 N 0.56 0.00 1.09 5.22 0.53 -1.26 0.17 117.16 123.47 2x9r n TYR 105 Ca -0.15 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.77 2x9r n TYR 105 Cb 0.55 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 38.98 2x9r n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2x9r n ASP 106 N 2.99 1.52 -4.68 7.72 8.00 -1.23 -4.77 116.55 126.11 2x9r n ASP 106 Ca 0.00 -2.03 -0.39 0.00 0.71 0.00 0.00 54.79 53.07 2x9r n ASP 106 Cb 0.00 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 2x9r n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x9r s ALA 107 N -1.65 3.51 0.23 2.24 0.00 0.45 -4.77 121.76 121.77 2x9r s ALA 107 Ca 0.18 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.93 2x9r s ALA 107 Cb 0.10 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2x9r s ALA 107 CO 0.11 -0.38 0.23 0.00 0.00 0.00 0.00 175.76 175.72 2x9r s ALA 108 N 1.50 3.69 1.21 0.00 0.00 -1.26 -1.19 121.76 125.71 2x9r s ALA 108 Ca 0.27 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 2x9r s ALA 108 Cb -0.16 -1.45 0.26 0.00 0.00 0.00 0.00 23.12 21.77 2x9r s ALA 108 CO 0.11 0.32 0.92 0.41 0.00 0.00 0.00 175.76 177.51 2x9r n GLY 109 N -1.04 -2.72 3.56 0.00 0.00 -1.25 -3.25 105.19 100.49 2x9r n GLY 109 Ca -0.08 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 2x9r n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9r s VAL 110 N -2.66 5.24 0.72 1.61 1.01 -1.18 -4.90 120.40 120.24 2x9r s VAL 110 Ca 0.59 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 2x9r s VAL 110 Cb -0.06 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2x9r s VAL 110 CO 0.46 0.06 1.16 -0.75 0.00 0.00 0.00 175.10 176.03 2x9r s LYS 111 N 1.89 2.31 -1.53 2.72 2.20 -1.26 -3.60 119.74 122.47 2x9r s LYS 111 Ca 0.10 1.58 -0.10 0.00 -0.36 0.00 0.00 55.97 57.19 2x9r s LYS 111 Cb -0.16 -1.87 0.08 0.00 -1.51 0.00 0.00 37.83 34.36 2x9r s LYS 111 CO 0.11 -1.67 0.73 -0.25 -0.36 0.00 0.00 175.35 173.91 2x9r n ASP 112 N -2.74 -2.63 -4.00 1.43 10.43 -1.26 -4.96 116.55 112.81 2x9r n ASP 112 Ca 0.12 -0.93 -0.31 0.00 2.57 0.00 0.00 54.79 56.25 2x9r n ASP 112 Cb 0.51 -3.29 -0.16 0.00 1.84 0.00 0.00 41.12 40.02 2x9r n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2x9r s ARG 113 N -6.64 2.03 -0.21 -1.24 6.06 -1.24 -4.98 118.95 112.74 2x9r s ARG 113 Ca 0.43 -0.92 0.12 0.00 -2.50 0.00 0.00 55.73 52.86 2x9r s ARG 113 Cb -0.23 -2.50 -0.21 0.00 0.06 0.00 0.00 34.95 32.07 2x9r s ARG 113 CO 0.88 -0.46 -0.02 1.63 -2.50 0.00 0.00 175.30 174.82 2x9r n LYS 114 N 4.65 0.79 0.00 5.12 5.02 -1.26 -4.94 118.16 127.54 2x9r n LYS 114 Ca -0.14 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2x9r n LYS 114 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2x9r n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2x9r n LYS 115 N -2.87 2.58 -1.45 1.97 4.76 -1.26 -4.69 118.16 117.19 2x9r n LYS 115 Ca -0.35 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 54.61 2x9r n LYS 115 Cb 1.07 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 34.18 2x9r n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2x9r n SER 116 N 0.00 1.78 -0.00 4.39 7.64 -1.26 -4.77 113.62 121.40 2x9r n SER 116 Ca 0.00 0.26 0.04 0.00 1.01 0.00 0.00 58.87 60.18 2x9r n SER 116 Cb 0.00 -1.23 -0.06 0.00 -1.01 0.00 0.00 64.21 61.90 2x9r n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2x9r n ARG 117 N 8.32 1.05 0.03 1.43 1.74 -1.26 -4.53 116.66 123.44 2x9r n ARG 117 Ca 0.45 -0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 57.37 2x9r n ARG 117 Cb 0.23 -1.14 -0.04 0.00 -1.02 0.00 0.00 32.46 30.49 2x9r n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2x9r h SER 118 N 0.00 -0.49 -4.25 0.55 0.87 -1.87 -2.35 113.55 106.02 2x9r h SER 118 Ca 0.00 0.08 -0.50 0.00 -1.23 0.00 0.00 61.79 60.14 2x9r h SER 118 Cb 0.36 0.22 0.05 0.00 -0.44 0.00 0.00 62.40 62.59 2x9r h SER 118 CO 0.00 -0.22 0.38 -0.54 -0.53 0.00 0.00 176.83 175.92 2x9r s LYS 119 N -6.13 3.64 0.00 2.24 1.02 -1.26 -3.13 119.74 116.12 2x9r s LYS 119 Ca -0.15 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2x9r s LYS 119 Cb 0.10 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 2x9r s LYS 119 CO 0.67 -0.49 0.00 0.66 -0.92 0.00 0.00 175.35 175.27 2x9r n TYR 120 N -2.53 0.00 -1.27 3.18 4.02 -1.26 -4.59 117.16 114.70 2x9r n TYR 120 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2x9r n TYR 120 Cb 0.54 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 2x9r n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x9r n GLY 121 N -1.63 0.00 3.34 2.72 0.00 -0.93 -3.08 105.19 105.61 2x9r n GLY 121 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2x9r n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9r s THR 122 N 0.00 0.02 0.24 2.61 2.01 -0.93 -3.55 115.64 116.04 2x9r s THR 122 Ca 0.00 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 2x9r s THR 122 Cb 0.00 -0.69 -0.09 0.00 0.01 0.00 0.00 72.50 71.73 2x9r s THR 122 CO 0.00 -0.09 0.98 -0.54 -0.69 0.00 0.00 174.62 174.28 2x9r s LYS 123 N -0.54 4.80 -0.65 4.92 -0.14 -1.26 -4.79 119.74 122.07 2x9r s LYS 123 Ca -0.07 1.56 -0.26 0.00 -1.36 0.00 0.00 55.97 55.84 2x9r s LYS 123 Cb -0.03 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.82 2x9r s LYS 123 CO 0.03 0.43 1.87 0.21 -0.76 0.00 0.00 175.35 177.13 2x9r s LYS 124 N -1.13 2.61 0.18 1.68 2.20 -1.26 -4.93 119.74 119.09 2x9r s LYS 124 Ca 0.42 0.48 -0.33 0.00 -0.36 0.00 0.00 55.97 56.19 2x9r s LYS 124 Cb -0.27 -4.48 -0.14 0.00 -1.51 0.00 0.00 37.83 31.42 2x9r s LYS 124 CO 0.34 -2.83 1.46 -0.35 -0.36 0.00 0.00 175.35 173.61 2x9r n PRO 125 N 9.14 1.91 -1.79 4.03 -0.04 -1.26 -4.84 135.00 142.16 2x9r n PRO 125 Ca 0.23 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 2x9r n PRO 125 Cb 0.51 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 2x9r n PRO 125 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2x9r s LYS 126 N 0.28 4.07 -1.18 0.54 2.47 -1.26 -4.84 119.74 119.82 2x9r s LYS 126 Ca 0.75 2.41 -0.23 0.00 -1.56 0.00 0.00 55.97 57.34 2x9r s LYS 126 Cb -0.71 -4.12 -0.10 0.00 -1.46 0.00 0.00 37.83 31.44 2x9r s LYS 126 CO 0.44 -1.01 1.95 0.39 0.16 0.00 0.00 175.35 177.28 2x9r n GLU 127 N 7.50 1.49 -0.80 4.03 1.02 -1.26 -4.81 120.64 127.81 2x9r n GLU 127 Ca 0.20 -2.41 -0.39 0.00 -0.02 0.00 0.00 57.16 54.54 2x9r n GLU 127 Cb 0.42 -3.74 -0.07 0.00 -0.02 0.00 0.00 31.44 28.03 2x9r n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x9r n ALA 128 N 14.75 2.44 0.00 0.62 0.00 -1.26 -5.35 120.51 131.71 2x9r n ALA 128 Ca 0.45 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 51.16 2x9r n ALA 128 Cb 0.46 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.38 2x9r n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50