#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n THR 6 N 0.00 1.88 -0.32 0.52 -2.24 -1.26 -4.67 114.28 108.19 3i9d n THR 6 Ca 0.00 -0.50 0.25 0.00 -2.27 0.00 0.00 64.05 61.53 3i9d n THR 6 Cb 0.00 -0.50 0.46 0.00 -2.10 0.00 0.00 70.33 68.19 3i9d n THR 6 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i9d n ILE 7 N -0.18 -0.41 0.13 2.28 2.08 -1.26 0.09 119.36 122.09 3i9d n ILE 7 Ca 0.13 2.05 -0.15 0.00 0.56 0.00 0.00 62.75 65.34 3i9d n ILE 7 Cb 0.32 -3.20 -0.09 0.00 -0.75 0.00 0.00 39.64 35.92 3i9d n ILE 7 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 3i9d h ASN 8 N 0.00 -1.45 -0.90 4.38 -1.24 -2.01 -2.48 115.58 111.88 3i9d h ASN 8 Ca 0.74 0.15 0.24 0.00 0.71 0.00 0.00 56.30 58.14 3i9d h ASN 8 Cb 1.81 0.53 -0.16 0.00 0.73 0.00 0.00 38.32 41.24 3i9d h ASN 8 CO -0.82 -0.53 0.13 1.56 -1.29 0.00 0.00 177.43 176.48 3i9d h GLN 9 N -0.73 0.11 -0.69 6.67 4.20 -0.64 0.71 115.11 124.73 3i9d h GLN 9 Ca -0.01 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3i9d h GLN 9 Cb 0.72 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3i9d h GLN 9 CO -0.24 0.07 0.46 -0.07 -0.67 0.00 0.00 178.83 178.38 3i9d h LEU 10 N 0.11 0.67 -0.35 1.46 3.38 -1.32 1.12 115.31 120.38 3i9d h LEU 10 Ca 0.55 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 3i9d h LEU 10 Cb 1.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3i9d h LEU 10 CO -0.75 0.45 0.21 0.58 0.09 0.00 0.00 178.44 179.02 3i9d h VAL 11 N 0.77 1.11 0.00 1.22 2.07 0.64 -0.46 116.25 121.61 3i9d h VAL 11 Ca 0.29 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3i9d h VAL 11 Cb 0.17 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3i9d h VAL 11 CO -0.09 0.11 0.00 0.54 0.02 0.00 0.00 177.57 178.15 3i9d n ARG 12 N -4.81 0.00 -0.11 1.57 1.74 -0.44 -4.45 116.66 110.16 3i9d n ARG 12 Ca -0.01 0.14 0.21 0.00 -0.77 0.00 0.00 57.85 57.42 3i9d n ARG 12 Cb 0.05 -0.61 0.64 0.00 -1.02 0.00 0.00 32.46 31.51 3i9d n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i9d h LYS 13 N 0.00 0.13 0.00 5.56 6.56 0.11 -3.48 116.57 125.45 3i9d h LYS 13 Ca 0.00 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.67 3i9d h LYS 13 Cb 0.00 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 3i9d h LYS 13 CO 0.00 0.09 -0.12 0.41 -2.06 0.00 0.00 179.45 177.77 3i9d n GLY 14 N -1.62 -2.12 3.00 3.86 0.00 -0.18 -4.76 105.19 103.36 3i9d n GLY 14 Ca 0.14 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3i9d n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9d s ARG 15 N -1.15 1.75 0.09 1.61 1.81 -1.26 -4.79 118.95 117.02 3i9d s ARG 15 Ca 0.00 -2.23 -0.35 0.00 -1.72 0.00 0.00 55.73 51.43 3i9d s ARG 15 Cb 0.00 -3.29 -0.15 0.00 -0.45 0.00 0.00 34.95 31.06 3i9d s ARG 15 CO 0.00 -1.03 1.52 -1.91 -0.68 0.00 0.00 175.30 173.20 3i9d n GLU 16 N 3.74 1.73 -3.08 3.54 2.13 -1.26 -4.98 120.64 122.46 3i9d n GLU 16 Ca 0.04 0.63 -0.34 0.00 0.66 0.00 0.00 57.16 58.15 3i9d n GLU 16 Cb 0.37 -2.35 -0.06 0.00 0.27 0.00 0.00 31.44 29.67 3i9d n GLU 16 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3i9d s LYS 17 N 1.10 4.14 0.00 5.31 2.20 -1.26 -5.05 119.74 126.18 3i9d s LYS 17 Ca 0.83 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 3i9d s LYS 17 Cb -0.80 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3i9d s LYS 17 CO 0.43 0.23 0.27 1.33 -0.36 0.00 0.00 175.35 177.25 3i9d n VAL 18 N 0.02 0.00 -1.62 4.02 0.24 -1.26 -5.03 118.33 114.70 3i9d n VAL 18 Ca 0.02 0.77 -0.00 0.00 -2.04 0.00 0.00 64.34 63.09 3i9d n VAL 18 Cb 0.52 -1.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 3i9d n VAL 18 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i9d n ARG 19 N -0.39 -0.27 -3.51 7.34 5.12 -1.26 -5.08 116.66 118.60 3i9d n ARG 19 Ca 0.00 0.68 -0.25 0.00 -1.93 0.00 0.00 57.85 56.35 3i9d n ARG 19 Cb 0.00 -1.65 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 3i9d n ARG 19 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3i9d s LYS 20 N -0.65 3.51 0.36 5.56 0.00 -1.26 -5.10 119.74 122.15 3i9d s LYS 20 Ca 0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 55.97 55.51 3i9d s LYS 20 Cb -0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 37.83 35.02 3i9d s LYS 20 CO 0.07 0.25 0.74 0.15 0.00 0.00 0.00 175.35 176.56 3i9d s LYS 21 N -3.95 3.90 -0.30 1.78 3.01 -1.26 -5.02 119.74 117.90 3i9d s LYS 21 Ca 0.39 0.57 -0.29 0.00 -1.01 0.00 0.00 55.97 55.64 3i9d s LYS 21 Cb -0.10 -2.42 -0.01 0.00 -1.01 0.00 0.00 37.83 34.29 3i9d s LYS 21 CO 0.33 0.08 1.50 0.45 0.51 0.00 0.00 175.35 178.21 3i9d s SER 22 N -2.66 6.41 0.00 2.83 0.15 -1.26 -4.85 113.70 114.32 3i9d s SER 22 Ca 0.53 1.29 0.03 0.00 0.70 0.00 0.00 55.95 58.49 3i9d s SER 22 Cb -0.10 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.82 3i9d s SER 22 CO 0.23 -1.29 0.56 0.29 1.20 0.00 0.00 173.24 174.23 3i9d n LYS 23 N 7.73 0.10 -3.25 5.44 5.02 -1.26 -4.29 118.16 127.65 3i9d n LYS 23 Ca 0.17 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 3i9d n LYS 23 Cb 0.46 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 3i9d n LYS 23 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9d s VAL 24 N -2.00 -0.76 -1.51 -0.18 1.01 -1.26 -5.03 120.40 110.67 3i9d s VAL 24 Ca 0.04 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 3i9d s VAL 24 Cb 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3i9d s VAL 24 CO 0.03 -0.19 2.58 -0.81 0.00 0.00 0.00 175.10 176.70 3i9d n PRO 25 N 5.22 3.22 -0.16 2.72 -0.04 -1.26 -4.51 135.00 140.19 3i9d n PRO 25 Ca 0.04 -2.37 -0.01 0.00 -0.04 0.00 0.00 63.50 61.12 3i9d n PRO 25 Cb 0.51 -3.03 0.05 0.00 -0.04 0.00 0.00 33.50 30.99 3i9d n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9d n ALA 26 N 4.88 2.83 -0.96 0.55 0.00 -1.26 -4.95 120.51 121.60 3i9d n ALA 26 Ca 0.65 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3i9d n ALA 26 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3i9d n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i9d n LEU 27 N 0.17 0.00 -0.66 0.00 -0.00 -1.26 -3.87 117.00 111.37 3i9d n LEU 27 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.02 3i9d n LEU 27 Cb 0.53 -1.46 -0.02 0.00 -0.00 0.00 0.00 43.42 42.46 3i9d n LEU 27 CO 0.07 0.00 -0.05 1.17 -0.00 0.00 0.00 177.39 178.58 3i9d n LYS 28 N -1.98 -1.63 -4.05 1.96 4.81 -1.26 -1.64 118.16 114.38 3i9d n LYS 28 Ca 0.00 0.47 -0.28 0.00 -0.87 0.00 0.00 58.31 57.64 3i9d n LYS 28 Cb 0.00 -4.38 -0.08 0.00 0.02 0.00 0.00 35.03 30.59 3i9d n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9d n GLY 29 N 0.17 -0.13 3.85 3.14 0.00 -1.26 -4.85 105.19 106.11 3i9d n GLY 29 Ca -0.06 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3i9d n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d s ALA 30 N -4.01 3.15 0.15 4.61 0.00 -0.65 -4.97 121.76 120.04 3i9d s ALA 30 Ca 0.09 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 3i9d s ALA 30 Cb -0.05 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.11 3i9d s ALA 30 CO 0.85 -0.14 1.72 -1.35 0.00 0.00 0.00 175.76 176.84 3i9d h PRO 31 N 1.08 0.11 -4.68 0.00 0.11 -1.92 -3.45 132.00 123.26 3i9d h PRO 31 Ca -0.47 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 3i9d h PRO 31 Cb 1.18 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 3i9d h PRO 31 CO 0.62 0.07 -0.61 -0.06 -0.21 0.00 0.00 178.00 177.82 3i9d s PHE 32 N -6.18 1.29 -0.17 0.65 0.08 -1.26 -4.79 117.98 107.59 3i9d s PHE 32 Ca -0.13 -1.36 -0.09 0.00 0.12 0.00 0.00 56.93 55.46 3i9d s PHE 32 Cb 0.12 -0.64 0.06 0.00 -0.57 0.00 0.00 43.02 41.98 3i9d s PHE 32 CO 0.70 -0.60 0.40 0.50 -0.10 0.00 0.00 175.22 176.12 3i9d s ARG 33 N -4.08 0.38 0.62 0.44 6.06 -1.13 -5.00 118.95 116.25 3i9d s ARG 33 Ca 0.39 0.78 -0.18 0.00 -2.50 0.00 0.00 55.73 54.21 3i9d s ARG 33 Cb 0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 34.95 35.03 3i9d s ARG 33 CO 0.14 -0.16 1.25 0.50 -2.50 0.00 0.00 175.30 174.53 3i9d s ARG 34 N 1.40 2.74 0.16 5.12 3.52 -1.26 -2.10 118.95 128.54 3i9d s ARG 34 Ca -0.10 1.95 -0.24 0.00 -0.13 0.00 0.00 55.73 57.22 3i9d s ARG 34 Cb -0.09 -1.88 0.06 0.00 -1.56 0.00 0.00 34.95 31.48 3i9d s ARG 34 CO -0.13 -1.42 0.73 0.20 -0.81 0.00 0.00 175.30 173.88 3i9d s GLY 35 N -1.50 -0.40 -0.04 8.12 0.00 -0.79 -3.41 107.32 109.30 3i9d s GLY 35 Ca 0.80 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.88 3i9d s GLY 35 CO 0.37 0.10 -0.16 0.14 0.00 0.00 0.00 173.10 173.55 3i9d s VAL 36 N -3.63 1.36 0.18 1.40 1.01 -0.62 -0.58 120.40 119.52 3i9d s VAL 36 Ca 0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3i9d s VAL 36 Cb -0.02 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 3i9d s VAL 36 CO -0.05 0.40 1.11 0.00 0.00 0.00 0.00 175.10 176.56 3i9d n THR 38 N 2.42 0.91 -4.04 0.00 5.66 0.34 -3.82 114.28 115.75 3i9d n THR 38 Ca 0.03 -0.40 -0.13 0.00 -3.05 0.00 0.00 64.05 60.50 3i9d n THR 38 Cb 0.46 -0.96 -0.12 0.00 -1.55 0.00 0.00 70.33 68.16 3i9d n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3i9d s VAL 39 N -2.32 0.36 -0.50 1.08 1.01 -1.14 -4.78 120.40 114.11 3i9d s VAL 39 Ca -0.17 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3i9d s VAL 39 Cb 0.05 -0.41 0.19 0.00 0.00 0.00 0.00 36.38 36.22 3i9d s VAL 39 CO 0.41 -0.25 0.44 0.52 0.00 0.00 0.00 175.10 176.23 3i9d n VAL 40 N 2.01 -0.14 -0.56 2.92 0.31 -1.26 -0.85 118.33 120.77 3i9d n VAL 40 Ca -0.20 -4.03 0.00 0.00 -0.01 0.00 0.00 64.34 60.11 3i9d n VAL 40 Cb 0.56 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 3i9d n VAL 40 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i9d n ARG 41 N 2.20 3.62 -3.64 5.55 1.74 -1.17 -4.94 116.66 120.03 3i9d n ARG 41 Ca 0.26 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.26 3i9d n ARG 41 Cb 0.45 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.82 3i9d n ARG 41 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i9d s THR 42 N 2.57 0.00 0.39 0.55 -4.23 -1.26 -2.98 115.64 110.69 3i9d s THR 42 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3i9d s THR 42 Cb 0.00 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 72.77 3i9d s THR 42 CO 0.00 0.00 -0.02 0.68 -0.54 0.00 0.00 174.62 174.74 3i9d s VAL 43 N 1.25 2.10 -0.14 2.29 -7.23 0.17 -4.89 120.40 113.95 3i9d s VAL 43 Ca -0.07 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 57.99 3i9d s VAL 43 Cb -0.05 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 3i9d s VAL 43 CO -0.14 -0.07 0.06 0.42 -0.31 0.00 0.00 175.10 175.06 3i9d s THR 44 N -2.67 4.78 1.01 5.32 -4.23 -1.26 -0.93 115.64 117.66 3i9d s THR 44 Ca 0.34 -0.05 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 3i9d s THR 44 Cb 0.07 -3.10 0.11 0.00 1.34 0.00 0.00 72.50 70.92 3i9d s THR 44 CO 0.18 0.53 0.54 -2.65 -0.54 0.00 0.00 174.62 172.69 3i9d n PRO 45 N 2.83 -0.92 0.00 3.99 -0.02 -1.26 -4.94 135.00 134.68 3i9d n PRO 45 Ca -0.18 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 3i9d n PRO 45 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3i9d n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i9d n LYS 46 N -2.74 0.29 -4.93 -0.52 4.81 0.36 -4.88 118.16 110.56 3i9d n LYS 46 Ca 0.06 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.22 3i9d n LYS 46 Cb 0.55 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.44 3i9d n LYS 46 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3i9d s LYS 47 N -1.20 2.22 0.00 1.64 -2.85 -1.26 -3.80 119.74 114.49 3i9d s LYS 47 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 3i9d s LYS 47 Cb 0.00 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.97 3i9d s LYS 47 CO 0.00 0.18 0.00 -0.35 0.10 0.00 0.00 175.35 175.28 3i9d n PRO 48 N 3.41 0.00 -4.16 1.78 -0.04 -1.26 -5.12 135.00 129.61 3i9d n PRO 48 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 3i9d n PRO 48 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 3i9d n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i9d s ASN 49 N 0.00 1.26 -0.17 3.54 0.02 -1.25 -5.15 114.94 113.19 3i9d s ASN 49 Ca 0.00 -0.87 -0.16 0.00 -1.02 0.00 0.00 52.86 50.81 3i9d s ASN 49 Cb 0.00 0.05 0.04 0.00 0.02 0.00 0.00 41.25 41.36 3i9d s ASN 49 CO 0.00 -0.35 0.46 -0.55 0.02 0.00 0.00 177.10 176.68 3i9d s SER 50 N -2.64 -0.47 0.00 -1.22 0.15 -1.26 -4.52 113.70 103.75 3i9d s SER 50 Ca 0.07 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.61 3i9d s SER 50 Cb 0.00 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 3i9d s SER 50 CO -0.02 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.25 3i9d n ALA 51 N 2.77 0.00 -3.73 5.45 0.00 -1.26 -4.99 120.51 118.74 3i9d n ALA 51 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 3i9d n ALA 51 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 3i9d n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i9d s LEU 52 N 0.00 3.70 0.32 0.00 1.43 -1.26 -4.00 118.68 118.87 3i9d s LEU 52 Ca 0.00 -3.59 -0.29 0.00 -1.03 0.00 0.00 54.13 49.21 3i9d s LEU 52 Cb 0.00 -1.24 -0.12 0.00 0.03 0.00 0.00 46.19 44.86 3i9d s LEU 52 CO 0.00 -0.11 1.48 0.54 0.23 0.00 0.00 176.35 178.49 3i9d n ARG 53 N 2.26 2.48 -3.02 1.70 3.00 -0.11 -4.66 116.66 118.32 3i9d n ARG 53 Ca 0.23 0.88 -0.41 0.00 -0.01 0.00 0.00 57.85 58.54 3i9d n ARG 53 Cb 0.39 -2.59 -0.06 0.00 0.00 0.00 0.00 32.46 30.21 3i9d n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3i9d s LYS 54 N -1.20 4.06 0.37 5.56 3.01 -1.26 0.44 119.74 130.71 3i9d s LYS 54 Ca 0.60 0.61 0.04 0.00 -1.01 0.00 0.00 55.97 56.21 3i9d s LYS 54 Cb -0.53 -3.68 -0.06 0.00 -1.01 0.00 0.00 37.83 32.56 3i9d s LYS 54 CO 0.56 -0.52 0.06 0.14 0.51 0.00 0.00 175.35 176.09 3i9d s VAL 55 N 2.70 1.22 -0.07 3.17 -7.23 -1.16 -3.19 120.40 115.85 3i9d s VAL 55 Ca 0.29 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3i9d s VAL 55 Cb -0.15 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.12 3i9d s VAL 55 CO 0.10 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.04 3i9d s ALA 56 N -3.16 -0.31 -0.20 1.32 0.00 0.87 -3.05 121.76 117.24 3i9d s ALA 56 Ca 0.32 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.74 3i9d s ALA 56 Cb 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3i9d s ALA 56 CO 0.15 -0.14 0.55 0.15 0.00 0.00 0.00 175.76 176.46 3i9d s LYS 57 N 0.96 4.20 -0.13 0.00 -0.14 -0.03 0.20 119.74 124.80 3i9d s LYS 57 Ca -0.07 0.47 0.00 0.00 -1.36 0.00 0.00 55.97 55.01 3i9d s LYS 57 Cb -0.09 -3.56 0.02 0.00 -1.68 0.00 0.00 37.83 32.52 3i9d s LYS 57 CO -0.05 -0.16 -0.12 0.08 -0.76 0.00 0.00 175.35 174.34 3i9d s VAL 58 N 1.67 1.39 -0.56 3.17 1.01 0.23 -0.50 120.40 126.81 3i9d s VAL 58 Ca 0.25 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 3i9d s VAL 58 Cb -0.16 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.95 3i9d s VAL 58 CO 0.10 0.43 0.96 -0.60 0.00 0.00 0.00 175.10 175.99 3i9d s ARG 59 N 1.47 3.33 0.54 2.72 6.06 0.00 -1.87 118.95 131.19 3i9d s ARG 59 Ca 0.03 -0.27 0.08 0.00 -2.50 0.00 0.00 55.73 53.07 3i9d s ARG 59 Cb -0.13 -4.06 0.06 0.00 0.06 0.00 0.00 34.95 30.87 3i9d s ARG 59 CO -0.08 -1.52 0.62 -0.48 -2.50 0.00 0.00 175.30 171.33 3i9d s LEU 60 N 4.03 3.04 0.10 -0.88 2.34 -1.23 -1.58 118.68 124.50 3i9d s LEU 60 Ca 0.31 -0.93 -0.19 0.00 0.06 0.00 0.00 54.13 53.37 3i9d s LEU 60 Cb -0.12 -1.60 -0.04 0.00 -0.56 0.00 0.00 46.19 43.86 3i9d s LEU 60 CO 0.19 -1.17 1.25 0.35 -1.06 0.00 0.00 176.35 175.91 3i9d n THR 61 N -2.01 -0.43 0.00 5.48 -2.24 -1.22 -2.44 114.28 111.42 3i9d n THR 61 Ca 0.09 1.94 0.00 0.00 -2.27 0.00 0.00 64.05 63.81 3i9d n THR 61 Cb 0.62 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 3i9d n THR 61 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i9d n SER 62 N -4.45 0.00 0.00 3.42 7.64 -1.26 -4.62 113.62 114.35 3i9d n SER 62 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3i9d n SER 62 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3i9d n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i9d n GLY 63 N 0.83 0.09 0.00 0.23 0.00 -1.02 -4.89 105.19 100.42 3i9d n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i9d n TYR 64 N -1.60 -0.64 0.00 1.61 4.02 -1.25 -4.89 117.16 114.41 3i9d n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i9d n TYR 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3i9d n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3i9d n GLU 65 N -0.04 0.00 -3.57 -0.72 2.13 -1.25 -3.53 120.64 113.67 3i9d n GLU 65 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3i9d n GLU 65 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 3i9d n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i9d s VAL 66 N 0.00 2.40 -0.11 6.31 -7.23 -0.78 -4.80 120.40 116.18 3i9d s VAL 66 Ca 0.00 -1.33 -0.12 0.00 -1.81 0.00 0.00 61.98 58.71 3i9d s VAL 66 Cb 0.00 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 3i9d s VAL 66 CO 0.00 0.00 0.28 0.42 -0.31 0.00 0.00 175.10 175.49 3i9d s THR 67 N -2.55 5.28 0.20 5.32 -4.23 -1.26 0.78 115.64 119.17 3i9d s THR 67 Ca 0.47 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.59 3i9d s THR 67 Cb -0.03 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 3i9d s THR 67 CO 0.28 0.49 -0.14 0.00 -0.54 0.00 0.00 174.62 174.71 3i9d s ALA 68 N -0.27 1.96 0.04 3.99 0.00 0.54 -3.94 121.76 124.08 3i9d s ALA 68 Ca 0.18 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.51 3i9d s ALA 68 Cb -0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3i9d s ALA 68 CO 0.06 0.06 0.12 -0.47 0.00 0.00 0.00 175.76 175.54 3i9d s TYR 69 N -2.93 3.33 -0.40 0.00 5.04 -0.67 -0.09 117.35 121.62 3i9d s TYR 69 Ca 0.21 0.18 0.04 0.00 -2.44 0.00 0.00 57.07 55.06 3i9d s TYR 69 Cb -0.01 -1.71 0.11 0.00 0.35 0.00 0.00 41.96 40.71 3i9d s TYR 69 CO 0.06 0.56 0.13 0.42 -1.34 0.00 0.00 175.55 175.38 3i9d s ILE 70 N -1.36 2.32 1.05 3.14 1.01 -1.19 0.34 121.20 126.50 3i9d s ILE 70 Ca 0.29 -2.67 -0.13 0.00 0.00 0.00 0.00 60.65 58.15 3i9d s ILE 70 Cb -0.12 -2.68 0.22 0.00 0.01 0.00 0.00 42.46 39.89 3i9d s ILE 70 CO 0.21 -0.68 1.07 -2.84 0.00 0.00 0.00 174.94 172.70 3i9d s PRO 71 N 0.49 -0.01 0.00 2.79 0.02 -1.26 -4.83 135.00 132.19 3i9d s PRO 71 Ca 0.13 0.61 0.00 0.00 0.02 0.00 0.00 61.00 61.76 3i9d s PRO 71 Cb -0.22 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.63 3i9d s PRO 71 CO -0.06 -3.05 0.00 0.41 -0.33 0.00 0.00 177.00 173.97 3i9d n GLY 72 N -0.52 -0.81 3.57 0.52 0.00 -1.26 -4.87 105.19 101.83 3i9d n GLY 72 Ca 0.04 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3i9d n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9d s GLU 73 N -3.13 3.62 0.00 1.61 2.02 -1.26 -4.77 118.70 116.79 3i9d s GLU 73 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.21 3i9d s GLU 73 Cb 0.00 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.36 3i9d s GLU 73 CO 0.00 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3i9d n GLY 74 N 4.73 -2.47 0.00 -1.39 0.00 -1.26 -4.90 105.19 99.89 3i9d n GLY 74 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3i9d n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i9d n HIS 75 N 0.49 0.00 -2.72 1.61 1.44 -1.26 -4.82 115.22 109.95 3i9d n HIS 75 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 3i9d n HIS 75 Cb 0.00 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.21 3i9d n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3i9d n ASN 76 N 0.00 -2.09 -4.45 4.39 6.94 -1.26 -5.06 115.26 113.73 3i9d n ASN 76 Ca 0.00 -3.19 -0.31 0.00 -0.02 0.00 0.00 54.58 51.06 3i9d n ASN 76 Cb 0.00 1.51 -0.13 0.00 -2.36 0.00 0.00 39.78 38.80 3i9d n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3i9d s LEU 77 N -2.65 2.60 0.00 -4.53 1.43 -1.26 -4.82 118.68 109.44 3i9d s LEU 77 Ca 0.22 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3i9d s LEU 77 Cb 0.34 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 3i9d s LEU 77 CO -0.07 0.25 0.01 0.00 0.23 0.00 0.00 176.35 176.77 3i9d n GLN 78 N 1.53 1.45 0.00 1.70 6.02 -1.26 -4.97 117.38 121.84 3i9d n GLN 78 Ca -0.16 -0.39 0.07 0.00 -0.01 0.00 0.00 57.00 56.50 3i9d n GLN 78 Cb 0.52 0.15 0.39 0.00 1.02 0.00 0.00 30.24 32.33 3i9d n GLN 78 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3i9d n GLU 79 N -0.12 0.37 0.00 -1.09 2.13 -1.26 -3.40 120.64 117.26 3i9d n GLU 79 Ca -0.02 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3i9d n GLU 79 Cb 0.07 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.28 3i9d n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3i9d n HIS 80 N -1.08 0.00 -1.59 4.31 8.25 -1.25 -4.34 115.22 119.51 3i9d n HIS 80 Ca 0.09 -0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 57.16 3i9d n HIS 80 Cb 0.06 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.22 3i9d n HIS 80 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i9d n SER 81 N -0.02 0.51 -4.77 0.41 7.64 -1.22 -4.60 113.62 111.58 3i9d n SER 81 Ca 0.00 0.80 -0.37 0.00 1.01 0.00 0.00 58.87 60.31 3i9d n SER 81 Cb 0.30 -1.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.08 3i9d n SER 81 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i9d s VAL 82 N -1.54 5.32 0.34 0.44 1.01 -1.26 -1.24 120.40 123.47 3i9d s VAL 82 Ca 0.75 0.48 0.03 0.00 0.00 0.00 0.00 61.98 63.24 3i9d s VAL 82 Cb -0.42 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3i9d s VAL 82 CO 0.48 0.46 0.12 0.54 0.00 0.00 0.00 175.10 176.70 3i9d s VAL 83 N -0.02 0.66 -0.12 2.92 0.11 0.25 -1.39 120.40 122.81 3i9d s VAL 83 Ca 0.16 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.20 3i9d s VAL 83 Cb -0.13 -2.54 0.03 0.00 -1.53 0.00 0.00 36.38 32.21 3i9d s VAL 83 CO 0.04 0.00 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.53 3i9d s LEU 84 N -3.47 1.23 0.05 2.54 2.96 -1.26 -1.89 118.68 118.84 3i9d s LEU 84 Ca 0.32 -0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 3i9d s LEU 84 Cb 0.05 -0.81 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 3i9d s LEU 84 CO 0.15 -0.15 0.89 -0.51 -1.32 0.00 0.00 176.35 175.41 3i9d s ILE 85 N 1.72 4.69 -0.11 6.68 1.10 -0.89 -1.09 121.20 133.29 3i9d s ILE 85 Ca 0.04 1.89 0.07 0.00 -0.51 0.00 0.00 60.65 62.13 3i9d s ILE 85 Cb -0.13 -4.24 -0.11 0.00 0.15 0.00 0.00 42.46 38.13 3i9d s ILE 85 CO -0.08 0.29 -0.01 -1.14 -2.11 0.00 0.00 174.94 171.90 3i9d n ARG 86 N 3.10 1.75 -0.31 3.50 0.63 0.04 -2.84 116.66 122.53 3i9d n ARG 86 Ca 0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3i9d n ARG 86 Cb 0.50 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.15 3i9d n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9d n GLY 87 N 2.53 -2.67 0.00 5.14 0.00 -1.22 -4.81 105.19 104.16 3i9d n GLY 87 Ca -0.18 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3i9d n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 88 N 0.44 2.30 3.91 -0.02 0.00 -1.13 -4.53 105.19 106.15 3i9d n GLY 88 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3i9d n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i9d s ARG 89 N -0.55 2.57 -0.26 1.61 1.04 -1.13 -3.12 118.95 119.12 3i9d s ARG 89 Ca 0.00 0.11 -0.04 0.00 -1.04 0.00 0.00 55.73 54.76 3i9d s ARG 89 Cb 0.00 -2.11 0.01 0.00 -2.04 0.00 0.00 34.95 30.81 3i9d s ARG 89 CO 0.00 -1.09 -0.01 0.08 -0.04 0.00 0.00 175.30 174.25 3i9d s VAL 90 N -3.27 3.39 0.60 4.99 1.01 -1.23 -4.97 120.40 120.92 3i9d s VAL 90 Ca 0.58 -0.77 0.32 0.00 0.00 0.00 0.00 61.98 62.11 3i9d s VAL 90 Cb -0.11 -2.69 0.37 0.00 0.00 0.00 0.00 36.38 33.95 3i9d s VAL 90 CO 0.48 0.21 2.27 0.50 0.00 0.00 0.00 175.10 178.56 3i9d h LYS 91 N 8.12 0.00 0.00 2.72 1.63 -1.98 -2.00 116.57 125.06 3i9d h LYS 91 Ca -0.34 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.27 3i9d h LYS 91 Cb 1.13 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 3i9d h LYS 91 CO 0.59 0.00 -0.91 -0.44 -3.45 0.00 0.00 179.45 175.24 3i9d h ASP 92 N 0.00 0.00 -3.31 4.20 5.19 -1.97 -3.41 116.42 117.12 3i9d h ASP 92 Ca -0.00 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.70 3i9d h ASP 92 Cb 0.00 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.16 3i9d h ASP 92 CO 0.00 0.88 -0.07 0.18 -3.12 0.00 0.00 179.24 177.11 3i9d n LEU 93 N -3.31 4.25 -4.64 1.55 4.77 -0.75 -0.49 117.00 118.39 3i9d n LEU 93 Ca -0.00 -5.13 -0.50 0.00 -0.03 0.00 0.00 56.01 50.34 3i9d n LEU 93 Cb 0.89 -1.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3i9d n LEU 93 CO 0.45 1.56 1.10 -2.65 -1.33 0.00 0.00 177.39 176.52 3i9d n PRO 94 N 2.29 1.56 0.00 3.23 -0.02 -1.26 -1.50 135.00 139.30 3i9d n PRO 94 Ca 0.22 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3i9d n PRO 94 Cb 0.37 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3i9d n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9d n GLY 95 N 3.17 2.47 3.68 -1.23 0.00 -1.26 -5.05 105.19 106.97 3i9d n GLY 95 Ca 0.19 -0.80 -0.47 0.00 0.00 0.00 0.00 46.02 44.94 3i9d n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9d n VAL 96 N 0.00 0.45 -0.22 1.61 0.31 -0.56 -4.81 118.33 115.10 3i9d n VAL 96 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3i9d n VAL 96 Cb 0.00 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 3i9d n VAL 96 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i9d n ARG 97 N 5.90 1.09 -4.14 5.55 0.63 -1.25 -3.55 116.66 120.87 3i9d n ARG 97 Ca 0.21 -0.22 -0.15 0.00 -0.92 0.00 0.00 57.85 56.76 3i9d n ARG 97 Cb 0.30 -0.67 -0.13 0.00 0.45 0.00 0.00 32.46 32.42 3i9d n ARG 97 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3i9d s TYR 98 N -0.22 0.74 0.32 -0.14 1.51 -1.26 -2.83 117.35 115.48 3i9d s TYR 98 Ca 0.00 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3i9d s TYR 98 Cb 0.00 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.38 3i9d s TYR 98 CO 0.00 -0.04 0.47 -1.01 -1.11 0.00 0.00 175.55 173.87 3i9d s HIS 99 N -0.95 3.35 -0.02 2.71 3.76 -1.18 -1.68 115.29 121.28 3i9d s HIS 99 Ca -0.04 0.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 3i9d s HIS 99 Cb -0.08 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 3i9d s HIS 99 CO 0.00 0.15 -0.02 0.42 -0.85 0.00 0.00 174.74 174.44 3i9d s ILE 100 N -2.19 4.02 -0.11 0.60 1.01 0.15 -0.78 121.20 123.90 3i9d s ILE 100 Ca 0.40 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 3i9d s ILE 100 Cb -0.09 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 3i9d s ILE 100 CO 0.32 0.45 0.28 -0.69 0.00 0.00 0.00 174.94 175.30 3i9d s VAL 101 N -1.00 5.29 0.20 2.92 1.01 -0.25 -4.58 120.40 123.98 3i9d s VAL 101 Ca 0.17 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 3i9d s VAL 101 Cb -0.11 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3i9d s VAL 101 CO 0.07 0.49 0.46 -0.13 0.00 0.00 0.00 175.10 176.00 3i9d s ARG 102 N -0.28 3.68 0.00 2.72 0.52 -1.26 -4.25 118.95 120.07 3i9d s ARG 102 Ca 0.17 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 3i9d s ARG 102 Cb -0.14 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.59 3i9d s ARG 102 CO 0.06 0.37 0.00 0.41 0.02 0.00 0.00 175.30 176.16 3i9d n GLY 103 N -0.18 0.65 3.20 -3.53 0.00 -0.23 -3.82 105.19 101.26 3i9d n GLY 103 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3i9d n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9d s VAL 104 N -2.54 1.69 0.00 1.61 1.01 -1.15 -4.92 120.40 116.10 3i9d s VAL 104 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3i9d s VAL 104 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3i9d s VAL 104 CO 0.00 0.48 0.00 -1.22 0.00 0.00 0.00 175.10 174.36 3i9d n TYR 105 N 3.00 0.00 0.95 5.22 0.53 -1.26 -2.58 117.16 123.02 3i9d n TYR 105 Ca -0.17 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.72 3i9d n TYR 105 Cb 0.53 0.03 0.08 0.00 -1.03 0.00 0.00 39.34 38.94 3i9d n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3i9d n ASP 106 N 2.55 1.53 -4.29 7.72 8.00 -0.49 -4.66 116.55 126.91 3i9d n ASP 106 Ca 0.00 -2.12 -0.40 0.00 0.71 0.00 0.00 54.79 52.98 3i9d n ASP 106 Cb 0.00 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 3i9d n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9d s ALA 107 N -1.51 3.29 0.45 2.24 0.00 -1.06 -4.79 121.76 120.38 3i9d s ALA 107 Ca 0.10 -2.09 -0.18 0.00 0.00 0.00 0.00 51.96 49.80 3i9d s ALA 107 Cb 0.07 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 3i9d s ALA 107 CO 0.04 -1.61 0.93 0.00 0.00 0.00 0.00 175.76 175.13 3i9d s ALA 108 N 1.45 3.10 0.38 0.00 0.00 -1.26 -1.07 121.76 124.35 3i9d s ALA 108 Ca 0.03 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 3i9d s ALA 108 Cb -0.22 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 3i9d s ALA 108 CO 0.03 -0.01 1.05 0.20 0.00 0.00 0.00 175.76 177.03 3i9d s GLY 109 N -2.61 2.77 -0.84 0.00 0.00 -1.25 -4.22 107.32 101.16 3i9d s GLY 109 Ca 0.59 0.72 -0.21 0.00 0.00 0.00 0.00 44.72 45.82 3i9d s GLY 109 CO 0.22 1.17 2.31 -0.62 0.00 0.00 0.00 173.10 176.17 3i9d n VAL 110 N 0.08 0.00 -1.30 1.40 0.31 -1.21 -4.88 118.33 112.73 3i9d n VAL 110 Ca 0.04 -0.47 -0.36 0.00 -0.01 0.00 0.00 64.34 63.54 3i9d n VAL 110 Cb 0.49 -1.47 0.07 0.00 -0.91 0.00 0.00 33.84 32.02 3i9d n VAL 110 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i9d n LYS 111 N 7.88 0.38 0.00 5.55 4.81 -1.26 -2.37 118.16 133.14 3i9d n LYS 111 Ca 0.51 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3i9d n LYS 111 Cb 0.36 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.48 3i9d n LYS 111 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i9d n ASP 112 N -0.64 0.00 -4.75 3.14 9.92 -1.26 -4.99 116.55 117.96 3i9d n ASP 112 Ca 0.11 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.99 3i9d n ASP 112 Cb 0.50 -0.26 0.04 0.00 -0.64 0.00 0.00 41.12 40.75 3i9d n ASP 112 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3i9d s ARG 113 N 0.00 3.14 0.00 -1.24 6.06 -1.00 -4.92 118.95 121.00 3i9d s ARG 113 Ca 0.00 2.11 0.00 0.00 -2.50 0.00 0.00 55.73 55.34 3i9d s ARG 113 Cb 0.00 -2.20 0.00 0.00 0.06 0.00 0.00 34.95 32.81 3i9d s ARG 113 CO 0.00 -1.15 0.00 1.63 -2.50 0.00 0.00 175.30 173.28 3i9d n LYS 114 N -1.10 2.55 0.00 5.12 5.02 -1.26 -4.89 118.16 123.60 3i9d n LYS 114 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3i9d n LYS 114 Cb 0.46 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 3i9d n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i9d n LYS 115 N -0.96 0.00 -0.40 1.97 4.76 -1.26 -4.68 118.16 117.59 3i9d n LYS 115 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3i9d n LYS 115 Cb 0.11 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.24 3i9d n LYS 115 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3i9d n SER 116 N 0.00 1.00 0.00 4.39 3.41 -1.26 -4.65 113.62 116.50 3i9d n SER 116 Ca 0.00 -2.34 0.07 0.00 -0.26 0.00 0.00 58.87 56.35 3i9d n SER 116 Cb 0.00 -0.58 0.43 0.00 -0.26 0.00 0.00 64.21 63.80 3i9d n SER 116 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i9d n ARG 117 N 6.69 0.57 0.13 4.33 1.74 -1.26 -2.66 116.66 126.20 3i9d n ARG 117 Ca 0.31 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.16 3i9d n ARG 117 Cb 0.26 -1.40 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 3i9d n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i9d h SER 118 N 0.00 0.78 -3.56 0.55 0.87 -1.86 -2.09 113.55 108.23 3i9d h SER 118 Ca 0.00 -0.80 -0.49 0.00 -1.23 0.00 0.00 61.79 59.27 3i9d h SER 118 Cb 0.00 -0.25 0.04 0.00 -0.44 0.00 0.00 62.40 61.75 3i9d h SER 118 CO 0.00 1.62 0.12 -0.54 -0.53 0.00 0.00 176.83 177.51 3i9d s LYS 119 N -2.69 3.32 -0.25 2.24 1.02 -1.09 -3.54 119.74 118.76 3i9d s LYS 119 Ca -0.08 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.02 3i9d s LYS 119 Cb 0.05 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3i9d s LYS 119 CO 0.93 -0.37 0.00 0.66 -0.92 0.00 0.00 175.35 175.66 3i9d n TYR 120 N -2.36 0.00 -0.03 3.18 4.02 -1.26 -4.58 117.16 116.13 3i9d n TYR 120 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3i9d n TYR 120 Cb 0.56 -1.58 0.00 0.00 -0.02 0.00 0.00 39.34 38.30 3i9d n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9d n GLY 121 N -0.37 0.00 3.46 2.72 0.00 -1.23 -3.36 105.19 106.41 3i9d n GLY 121 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3i9d n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9d s THR 122 N 0.00 -0.81 1.07 2.61 2.01 -0.79 -3.93 115.64 115.80 3i9d s THR 122 Ca 0.00 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 3i9d s THR 122 Cb 0.00 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 3i9d s THR 122 CO 0.00 0.04 -0.55 0.29 -0.69 0.00 0.00 174.62 173.70 3i9d n LYS 123 N 5.41 -0.96 -2.66 4.92 4.76 -1.26 -4.77 118.16 123.59 3i9d n LYS 123 Ca -0.10 -0.27 -0.43 0.00 -2.87 0.00 0.00 58.31 54.64 3i9d n LYS 123 Cb 0.49 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 3i9d n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3i9d s LYS 124 N -2.91 3.54 0.41 1.97 2.47 -1.26 -5.00 119.74 118.97 3i9d s LYS 124 Ca 0.49 0.23 -0.27 0.00 -1.56 0.00 0.00 55.97 54.86 3i9d s LYS 124 Cb -0.04 -3.98 -0.10 0.00 -1.46 0.00 0.00 37.83 32.25 3i9d s LYS 124 CO 0.67 -1.51 1.43 -0.35 0.16 0.00 0.00 175.35 175.75 3i9d n PRO 125 N 7.94 2.40 -3.27 4.03 -0.04 -1.26 -4.94 135.00 139.85 3i9d n PRO 125 Ca 0.08 0.85 -0.25 0.00 -0.04 0.00 0.00 63.50 64.14 3i9d n PRO 125 Cb 0.49 -2.61 -0.08 0.00 -0.04 0.00 0.00 33.50 31.26 3i9d n PRO 125 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i9d n LYS 126 N 0.14 1.03 0.00 0.54 4.81 -1.26 -4.80 118.16 118.62 3i9d n LYS 126 Ca 0.04 -3.53 0.01 0.00 -0.87 0.00 0.00 58.31 53.96 3i9d n LYS 126 Cb 0.40 -1.48 0.07 0.00 0.02 0.00 0.00 35.03 34.04 3i9d n LYS 126 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3i9d n GLU 127 N 1.46 0.66 -0.09 1.64 0.00 -1.26 -4.61 120.64 118.44 3i9d n GLU 127 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.40 3i9d n GLU 127 Cb 0.50 -1.06 0.00 0.00 0.00 0.00 0.00 31.44 30.88 3i9d n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9d n ALA 128 N -0.56 0.00 -0.63 -1.84 0.00 -1.26 -5.37 120.51 110.84 3i9d n ALA 128 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i9d n ALA 128 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3i9d n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50