#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q n THR 2 N 0.00 1.33 0.24 0.00 -1.04 -1.26 -4.77 114.28 108.79 3i1q n THR 2 Ca 0.00 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.05 61.52 3i1q n THR 2 Cb 0.00 -0.64 -0.08 0.00 -1.82 0.00 0.00 70.33 67.79 3i1q n THR 2 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 3i1q h VAL 3 N 2.18 0.22 -0.99 12.58 -1.51 -2.04 -0.17 116.25 126.51 3i1q h VAL 3 Ca -0.40 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.26 3i1q h VAL 3 Cb 1.37 0.22 -0.18 0.00 -2.13 0.00 0.00 31.29 30.56 3i1q h VAL 3 CO 0.64 0.00 -0.27 -3.20 -1.23 0.00 0.00 177.57 173.51 3i1q n ASN 4 N -5.49 -0.41 0.25 4.19 5.15 -1.26 -0.61 115.26 117.08 3i1q n ASN 4 Ca -0.10 1.71 -0.16 0.00 -0.60 0.00 0.00 54.58 55.43 3i1q n ASN 4 Cb 0.39 -0.49 -0.08 0.00 -0.53 0.00 0.00 39.78 39.07 3i1q n ASN 4 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3i1q h GLN 5 N 0.00 -0.70 -0.70 1.20 4.20 -1.81 -2.82 115.11 114.48 3i1q h GLN 5 Ca 0.45 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.36 3i1q h GLN 5 Cb 0.70 0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.52 3i1q h GLN 5 CO -1.01 -0.46 0.07 -0.07 -0.67 0.00 0.00 178.83 176.68 3i1q h LEU 6 N -0.72 -0.18 -0.71 1.46 4.07 0.10 -0.28 115.31 119.04 3i1q h LEU 6 Ca -0.04 0.16 0.13 0.00 0.08 0.00 0.00 57.88 58.22 3i1q h LEU 6 Cb 0.62 0.26 -0.09 0.00 1.08 0.00 0.00 40.66 42.54 3i1q h LEU 6 CO -0.01 -0.11 0.26 0.58 -1.08 0.00 0.00 178.44 178.09 3i1q h VAL 7 N 0.17 0.67 0.00 1.22 2.07 -0.68 0.64 116.25 120.34 3i1q h VAL 7 Ca 0.39 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.77 3i1q h VAL 7 Cb 0.66 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3i1q h VAL 7 CO -0.56 0.07 0.00 0.54 0.02 0.00 0.00 177.57 177.64 3i1q n ARG 8 N -5.02 0.00 -3.74 1.57 1.74 -0.19 -4.37 116.66 106.65 3i1q n ARG 8 Ca 0.13 0.33 -0.35 0.00 -0.77 0.00 0.00 57.85 57.19 3i1q n ARG 8 Cb 0.38 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 3i1q n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3i1q s LYS 9 N -1.57 2.55 1.08 5.56 2.20 -0.78 -5.09 119.74 123.69 3i1q s LYS 9 Ca 0.00 -2.63 -0.12 0.00 -0.36 0.00 0.00 55.97 52.85 3i1q s LYS 9 Cb 0.00 -3.69 0.23 0.00 -1.51 0.00 0.00 37.83 32.86 3i1q s LYS 9 CO 0.00 -1.18 1.06 -1.25 -0.36 0.00 0.00 175.35 173.62 3i1q s PRO 10 N -0.24 -0.23 0.05 4.03 0.04 0.22 -4.41 135.00 134.45 3i1q s PRO 10 Ca 0.18 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 3i1q s PRO 10 Cb -0.20 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.71 3i1q s PRO 10 CO -0.04 -3.24 0.04 0.54 0.04 0.00 0.00 177.00 174.35 3i1q n ARG 11 N -4.56 -0.93 0.00 4.56 1.74 -1.26 -5.06 116.66 111.15 3i1q n ARG 11 Ca 0.04 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3i1q n ARG 11 Cb 0.55 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 3i1q n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1q n ALA 12 N -3.07 0.00 -1.90 7.54 0.00 -1.26 -5.11 120.51 116.71 3i1q n ALA 12 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3i1q n ALA 12 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3i1q n ALA 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i1q s ARG 13 N -0.27 3.84 0.13 0.00 6.06 -1.26 -4.92 118.95 122.54 3i1q s ARG 13 Ca 0.00 2.06 -0.34 0.00 -2.50 0.00 0.00 55.73 54.95 3i1q s ARG 13 Cb 0.00 -4.11 -0.13 0.00 0.06 0.00 0.00 34.95 30.76 3i1q s ARG 13 CO 0.00 -1.26 1.64 0.36 -2.50 0.00 0.00 175.30 173.53 3i1q n LYS 14 N 7.71 2.24 -2.22 5.12 2.85 -1.26 -4.94 118.16 127.66 3i1q n LYS 14 Ca 0.21 0.81 -0.37 0.00 -1.05 0.00 0.00 58.31 57.90 3i1q n LYS 14 Cb 0.44 -2.60 -0.00 0.00 -0.65 0.00 0.00 35.03 32.21 3i1q n LYS 14 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i1q s VAL 15 N 1.38 3.02 0.07 0.58 1.01 -1.26 -5.03 120.40 120.16 3i1q s VAL 15 Ca 0.80 0.76 0.08 0.00 0.00 0.00 0.00 61.98 63.62 3i1q s VAL 15 Cb -0.66 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3i1q s VAL 15 CO 0.39 -0.02 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 3i1q s ALA 16 N -1.53 2.66 -0.02 5.51 0.00 -1.26 -5.14 121.76 121.98 3i1q s ALA 16 Ca 0.65 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 51.38 3i1q s ALA 16 Cb -0.29 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 3i1q s ALA 16 CO 0.36 0.59 -0.08 -1.59 0.00 0.00 0.00 175.76 175.03 3i1q s LYS 17 N -1.76 2.60 0.85 0.00 0.00 -1.26 -5.12 119.74 115.05 3i1q s LYS 17 Ca 0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 55.97 55.35 3i1q s LYS 17 Cb -0.11 -2.51 0.10 0.00 0.00 0.00 0.00 37.83 35.31 3i1q s LYS 17 CO 0.08 0.62 1.10 -1.54 0.00 0.00 0.00 175.35 175.60 3i1q s SER 18 N -1.18 4.00 -0.18 0.03 1.04 -1.26 -4.89 113.70 111.26 3i1q s SER 18 Ca 0.15 1.39 0.01 0.00 0.48 0.00 0.00 55.95 57.97 3i1q s SER 18 Cb -0.11 -2.09 0.20 0.00 0.10 0.00 0.00 66.02 64.12 3i1q s SER 18 CO 0.05 -2.29 1.57 -3.20 0.98 0.00 0.00 173.24 170.35 3i1q n ASN 19 N -3.65 4.34 -3.33 7.02 5.15 -1.26 -4.62 115.26 118.91 3i1q n ASN 19 Ca 0.07 -2.67 -0.12 0.00 -0.60 0.00 0.00 54.58 51.26 3i1q n ASN 19 Cb 0.56 -0.79 -0.07 0.00 -0.53 0.00 0.00 39.78 38.95 3i1q n ASN 19 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i1q s VAL 20 N -1.32 -0.54 -0.43 3.44 -7.23 -1.26 -4.91 120.40 108.15 3i1q s VAL 20 Ca 0.20 -0.48 0.09 0.00 -1.81 0.00 0.00 61.98 59.98 3i1q s VAL 20 Cb 0.17 -0.85 0.58 0.00 0.56 0.00 0.00 36.38 36.83 3i1q s VAL 20 CO 0.02 -0.37 1.45 -0.81 -0.31 0.00 0.00 175.10 175.08 3i1q n PRO 21 N 5.02 3.52 -1.54 4.82 -0.04 -1.26 -4.81 135.00 140.71 3i1q n PRO 21 Ca 0.03 -2.28 -0.19 0.00 -0.04 0.00 0.00 63.50 61.02 3i1q n PRO 21 Cb 0.48 -2.03 -0.13 0.00 -0.04 0.00 0.00 33.50 31.79 3i1q n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1q n ALA 22 N 0.26 0.65 -0.61 0.55 0.00 -1.26 -4.80 120.51 115.30 3i1q n ALA 22 Ca 0.24 -1.11 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 3i1q n ALA 22 Cb 1.01 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3i1q n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1q n LEU 23 N 13.49 -1.64 0.00 0.00 7.94 -1.26 -3.22 117.00 132.32 3i1q n LEU 23 Ca 0.55 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 3i1q n LEU 23 Cb 0.32 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.87 3i1q n LEU 23 CO 0.77 -1.62 0.00 -0.62 -1.11 0.00 0.00 177.39 174.81 3i1q n GLU 24 N 1.62 -1.94 -2.41 1.96 1.02 -1.26 -2.90 120.64 116.72 3i1q n GLU 24 Ca -0.00 0.27 -0.09 0.00 -0.02 0.00 0.00 57.16 57.32 3i1q n GLU 24 Cb 0.03 -3.88 0.00 0.00 -0.02 0.00 0.00 31.44 27.57 3i1q n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1q n ALA 25 N 0.58 -1.46 -2.93 0.62 0.00 -1.20 -4.89 120.51 111.23 3i1q n ALA 25 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3i1q n ALA 25 Cb 0.27 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 3i1q n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q h PRO 27 N 1.70 0.00 0.00 0.00 0.11 -1.94 -3.45 132.00 128.43 3i1q h PRO 27 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i1q h PRO 27 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i1q h PRO 27 CO 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 3i1q n GLN 28 N -2.28 0.00 -4.66 1.05 0.00 -1.26 -4.89 117.38 105.34 3i1q n GLN 28 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 57.00 56.69 3i1q n GLN 28 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.32 3i1q n GLN 28 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i1q s LYS 29 N -2.00 2.03 -0.18 2.61 1.02 -1.12 -4.99 119.74 117.11 3i1q s LYS 29 Ca 0.00 -2.20 -0.06 0.00 0.02 0.00 0.00 55.97 53.73 3i1q s LYS 29 Cb 0.00 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 3i1q s LYS 29 CO 0.00 -0.16 0.02 0.50 -0.92 0.00 0.00 175.35 174.80 3i1q s ARG 30 N -3.77 3.79 0.30 1.68 3.52 -1.26 -1.07 118.95 122.14 3i1q s ARG 30 Ca 0.26 -0.44 0.08 0.00 -0.13 0.00 0.00 55.73 55.50 3i1q s ARG 30 Cb 0.07 -3.12 -0.06 0.00 -1.56 0.00 0.00 34.95 30.29 3i1q s ARG 30 CO 0.13 0.17 -0.08 0.20 -0.81 0.00 0.00 175.30 174.91 3i1q s GLY 31 N 0.61 1.93 0.00 8.12 0.00 0.10 0.12 107.32 118.19 3i1q s GLY 31 Ca 0.01 -1.95 0.10 0.00 0.00 0.00 0.00 44.72 42.88 3i1q s GLY 31 CO 0.02 -1.90 0.49 -0.62 0.00 0.00 0.00 173.10 171.09 3i1q n VAL 32 N -0.64 0.00 -1.60 1.40 0.31 -1.07 -1.54 118.33 115.19 3i1q n VAL 32 Ca -0.05 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3i1q n VAL 32 Cb 0.63 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.60 3i1q n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1q h THR 34 N 3.22 0.00 -1.74 0.00 2.02 -0.68 -3.41 112.91 112.32 3i1q h THR 34 Ca 0.00 -0.89 -0.61 0.00 0.77 0.00 0.00 66.41 65.68 3i1q h THR 34 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 3i1q h THR 34 CO 0.00 0.00 -0.60 -0.13 0.37 0.00 0.00 175.52 175.16 3i1q s ARG 35 N -1.87 2.00 -0.52 6.66 1.81 -1.25 -4.66 118.95 121.13 3i1q s ARG 35 Ca -0.08 -1.97 0.07 0.00 -1.72 0.00 0.00 55.73 52.03 3i1q s ARG 35 Cb 0.01 -1.76 0.28 0.00 -0.45 0.00 0.00 34.95 33.03 3i1q s ARG 35 CO 0.12 0.00 0.71 0.28 -0.68 0.00 0.00 175.30 175.73 3i1q n VAL 36 N -0.98 1.22 -2.26 3.52 0.31 -1.26 -3.22 118.33 115.66 3i1q n VAL 36 Ca -0.04 -4.83 -0.20 0.00 -0.01 0.00 0.00 64.34 59.26 3i1q n VAL 36 Cb 0.65 -1.71 0.12 0.00 -0.91 0.00 0.00 33.84 31.99 3i1q n VAL 36 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3i1q n TYR 37 N 0.77 -3.36 -3.66 3.52 0.53 -1.25 -4.88 117.16 108.84 3i1q n TYR 37 Ca 0.27 -1.23 -0.08 0.00 -1.02 0.00 0.00 57.90 55.84 3i1q n TYR 37 Cb 0.48 -0.65 -0.09 0.00 -1.03 0.00 0.00 39.34 38.04 3i1q n TYR 37 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3i1q s THR 38 N -2.68 -0.57 0.19 -0.72 -4.23 -1.26 -1.67 115.64 104.69 3i1q s THR 38 Ca 0.54 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 3i1q s THR 38 Cb -0.02 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 3i1q s THR 38 CO 0.37 0.06 0.00 0.35 -0.54 0.00 0.00 174.62 174.86 3i1q n THR 39 N 5.20 0.00 -3.90 3.99 -2.24 -1.17 -4.89 114.28 111.27 3i1q n THR 39 Ca -0.11 -0.91 -0.36 0.00 -2.27 0.00 0.00 64.05 60.40 3i1q n THR 39 Cb 0.50 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 3i1q n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i1q s THR 40 N -1.72 5.28 0.57 4.28 -4.23 -1.26 -3.17 115.64 115.39 3i1q s THR 40 Ca 0.00 0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 3i1q s THR 40 Cb 0.00 -3.33 0.14 0.00 1.34 0.00 0.00 72.50 70.65 3i1q s THR 40 CO 0.00 0.55 0.55 -2.65 -0.54 0.00 0.00 174.62 172.54 3i1q n PRO 41 N 2.59 -1.74 -2.57 3.99 -0.02 -1.26 -4.95 135.00 131.04 3i1q n PRO 41 Ca -0.18 -0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 60.10 3i1q n PRO 41 Cb 0.54 -0.76 -0.04 0.00 -0.02 0.00 0.00 33.50 33.21 3i1q n PRO 41 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i1q s LYS 42 N -4.24 3.98 0.00 -0.52 1.02 -0.85 -4.88 119.74 114.25 3i1q s LYS 42 Ca 0.35 0.91 0.00 0.00 0.02 0.00 0.00 55.97 57.25 3i1q s LYS 42 Cb -0.03 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3i1q s LYS 42 CO 0.26 -0.18 0.00 1.63 -0.92 0.00 0.00 175.35 176.14 3i1q n LYS 43 N -1.32 0.00 0.26 1.68 4.01 -1.26 -0.38 118.16 121.15 3i1q n LYS 43 Ca 0.06 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.97 3i1q n LYS 43 Cb 0.54 0.00 0.70 0.00 -0.51 0.00 0.00 35.03 35.76 3i1q n LYS 43 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3i1q h PRO 44 N 0.00 0.00 -6.05 1.97 0.13 -2.02 -3.44 132.00 122.60 3i1q h PRO 44 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3i1q h PRO 44 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3i1q h PRO 44 CO 0.00 0.10 -0.43 -0.80 -0.23 0.00 0.00 178.00 176.65 3i1q s ASN 45 N -6.46 4.76 -0.30 1.44 0.02 0.49 -5.13 114.94 109.76 3i1q s ASN 45 Ca -0.04 -0.91 -0.09 0.00 -1.02 0.00 0.00 52.86 50.80 3i1q s ASN 45 Cb 0.15 -0.50 0.17 0.00 0.02 0.00 0.00 41.25 41.09 3i1q s ASN 45 CO 0.61 -0.62 0.83 -0.55 0.02 0.00 0.00 177.10 177.39 3i1q s SER 46 N -4.04 -0.89 0.00 -1.22 0.15 -1.26 -4.43 113.70 102.01 3i1q s SER 46 Ca 0.45 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.88 3i1q s SER 46 Cb -0.00 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 66.15 3i1q s SER 46 CO 0.25 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.53 3i1q n ALA 47 N 5.34 0.00 -2.79 5.45 0.00 -1.26 -5.01 120.51 122.23 3i1q n ALA 47 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3i1q n ALA 47 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 3i1q n ALA 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1q n LEU 48 N 0.00 -0.99 -4.76 0.00 7.94 -1.26 -4.59 117.00 113.33 3i1q n LEU 48 Ca 0.00 -3.87 -0.41 0.00 -1.11 0.00 0.00 56.01 50.62 3i1q n LEU 48 Cb 0.00 0.53 -0.01 0.00 0.53 0.00 0.00 43.42 44.47 3i1q n LEU 48 CO 0.00 1.98 1.18 -0.13 -1.11 0.00 0.00 177.39 179.31 3i1q s ARG 49 N -0.82 4.14 -0.38 1.96 3.00 -1.19 -4.71 118.95 120.95 3i1q s ARG 49 Ca 0.26 2.54 -0.28 0.00 0.00 0.00 0.00 55.73 58.25 3i1q s ARG 49 Cb 0.36 -3.01 0.02 0.00 0.00 0.00 0.00 34.95 32.33 3i1q s ARG 49 CO -0.05 -0.56 1.06 0.15 0.00 0.00 0.00 175.30 175.90 3i1q s LYS 50 N -1.21 3.90 0.00 3.54 3.01 -1.26 -3.03 119.74 124.69 3i1q s LYS 50 Ca 0.58 0.79 0.00 0.00 -1.01 0.00 0.00 55.97 56.33 3i1q s LYS 50 Cb -0.47 -3.81 0.00 0.00 -1.01 0.00 0.00 37.83 32.55 3i1q s LYS 50 CO 0.54 -1.06 0.00 1.33 0.51 0.00 0.00 175.35 176.67 3i1q n VAL 51 N 6.19 0.00 0.00 3.17 0.24 -0.67 0.29 118.33 127.55 3i1q n VAL 51 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3i1q n VAL 51 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3i1q n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1q s ARG 53 N -1.13 4.16 -0.11 0.00 0.52 -1.20 0.54 118.95 121.73 3i1q s ARG 53 Ca 0.00 1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 56.24 3i1q s ARG 53 Cb 0.00 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.34 3i1q s ARG 53 CO 0.00 -0.09 0.28 0.08 0.02 0.00 0.00 175.30 175.59 3i1q s VAL 54 N -2.26 -0.03 -1.00 3.52 1.01 0.44 -0.03 120.40 122.05 3i1q s VAL 54 Ca 0.62 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 3i1q s VAL 54 Cb -0.09 -0.42 0.25 0.00 0.00 0.00 0.00 36.38 36.12 3i1q s VAL 54 CO 0.17 0.04 0.97 -0.60 0.00 0.00 0.00 175.10 175.68 3i1q s ARG 55 N 1.00 3.93 1.05 2.72 3.52 -1.26 0.17 118.95 130.08 3i1q s ARG 55 Ca -0.07 -2.99 -0.15 0.00 -0.13 0.00 0.00 55.73 52.39 3i1q s ARG 55 Cb -0.08 -4.46 0.12 0.00 -1.56 0.00 0.00 34.95 28.97 3i1q s ARG 55 CO -0.07 -1.26 0.42 1.28 -0.81 0.00 0.00 175.30 174.87 3i1q n LEU 56 N 3.06 -0.89 0.33 -0.88 4.77 0.44 -2.59 117.00 121.24 3i1q n LEU 56 Ca 0.20 0.08 0.22 0.00 -0.03 0.00 0.00 56.01 56.48 3i1q n LEU 56 Cb 0.41 -1.14 1.18 0.00 -2.33 0.00 0.00 43.42 41.54 3i1q n LEU 56 CO 0.42 -3.21 1.17 0.00 -1.33 0.00 0.00 177.39 174.44 3i1q h THR 57 N -1.99 0.00 -0.13 -5.08 1.03 0.62 0.54 112.91 107.89 3i1q h THR 57 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3i1q h THR 57 Cb 1.32 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 3i1q h THR 57 CO 0.39 0.00 0.00 -0.46 -0.01 0.00 0.00 175.52 175.44 3i1q n ASN 58 N -3.03 2.40 0.00 0.00 0.23 -1.26 -4.93 115.26 108.67 3i1q n ASN 58 Ca -0.03 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 3i1q n ASN 58 Cb 0.07 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i1q n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i1q n GLY 59 N 1.29 2.01 3.70 4.83 0.00 0.18 -5.01 105.19 112.19 3i1q n GLY 59 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3i1q n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1q s PHE 60 N -2.34 2.50 -0.65 1.61 0.40 -1.26 -4.72 117.98 113.52 3i1q s PHE 60 Ca 0.00 0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.47 3i1q s PHE 60 Cb 0.00 -4.06 0.17 0.00 0.51 0.00 0.00 43.02 39.64 3i1q s PHE 60 CO 0.00 -4.21 0.57 -2.00 0.70 0.00 0.00 175.22 170.28 3i1q s GLU 61 N 2.20 3.07 0.14 0.44 2.12 -1.25 -0.42 118.70 125.00 3i1q s GLU 61 Ca 0.76 -2.14 0.08 0.00 0.36 0.00 0.00 54.97 54.02 3i1q s GLU 61 Cb -0.44 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 29.72 3i1q s GLU 61 CO 0.33 -1.26 -0.18 0.54 -0.54 0.00 0.00 175.26 174.15 3i1q s VAL 62 N 0.73 1.71 0.24 3.70 0.11 0.13 -4.78 120.40 122.23 3i1q s VAL 62 Ca 0.12 -1.76 -0.17 0.00 -2.93 0.00 0.00 61.98 57.24 3i1q s VAL 62 Cb -0.20 -1.69 -0.08 0.00 -1.53 0.00 0.00 36.38 32.88 3i1q s VAL 62 CO -0.03 -0.24 0.69 0.28 -3.33 0.00 0.00 175.10 172.46 3i1q s THR 63 N -1.75 4.66 0.04 5.04 -1.32 -1.26 -0.42 115.64 120.63 3i1q s THR 63 Ca 0.11 1.09 -0.02 0.00 -1.21 0.00 0.00 61.69 61.66 3i1q s THR 63 Cb -0.07 -3.76 -0.03 0.00 -1.51 0.00 0.00 72.50 67.13 3i1q s THR 63 CO 0.05 0.10 0.01 -0.55 -2.21 0.00 0.00 174.62 172.02 3i1q s SER 64 N -1.85 0.33 0.73 8.08 0.15 0.19 -3.91 113.70 117.42 3i1q s SER 64 Ca 0.45 -0.73 -0.11 0.00 0.70 0.00 0.00 55.95 56.26 3i1q s SER 64 Cb -0.15 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 3i1q s SER 64 CO 0.20 -0.49 1.07 -0.47 1.20 0.00 0.00 173.24 174.75 3i1q s TYR 65 N -2.86 2.96 -0.65 3.44 6.14 -0.60 -1.64 117.35 124.14 3i1q s TYR 65 Ca -0.03 1.39 0.05 0.00 0.64 0.00 0.00 57.07 59.12 3i1q s TYR 65 Cb 0.00 -2.95 0.18 0.00 0.42 0.00 0.00 41.96 39.60 3i1q s TYR 65 CO -0.06 -1.44 0.49 -0.89 0.64 0.00 0.00 175.55 174.28 3i1q n ILE 66 N -3.26 1.20 -1.35 3.14 5.41 0.15 -3.29 119.36 121.36 3i1q n ILE 66 Ca 0.08 -4.65 -0.36 0.00 1.00 0.00 0.00 62.75 58.81 3i1q n ILE 66 Cb 0.54 -2.09 0.08 0.00 -0.71 0.00 0.00 39.64 37.45 3i1q n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1q n GLY 67 N 2.02 -0.71 0.00 7.39 0.00 -1.26 -4.66 105.19 107.96 3i1q n GLY 67 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i1q n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 68 N 1.25 -0.30 3.51 -0.02 0.00 -1.26 -4.89 105.19 103.47 3i1q n GLY 68 Ca 0.12 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 3i1q n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i1q s GLU 69 N -1.83 3.30 0.00 1.61 2.02 -1.26 -4.96 118.70 117.58 3i1q s GLU 69 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3i1q s GLU 69 Cb 0.00 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.35 3i1q s GLU 69 CO 0.00 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.10 3i1q n GLY 70 N 5.10 -1.25 0.00 -1.39 0.00 -1.26 -4.63 105.19 101.77 3i1q n GLY 70 Ca -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3i1q n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i1q n HIS 71 N -0.26 0.00 0.00 1.61 1.44 -1.26 -4.80 115.22 111.96 3i1q n HIS 71 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3i1q n HIS 71 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3i1q n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3i1q n ASN 72 N 0.00 0.00 -2.35 4.39 6.94 -1.26 -5.08 115.26 117.90 3i1q n ASN 72 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 3i1q n ASN 72 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 3i1q n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3i1q n LEU 73 N 0.00 -3.84 0.00 -4.53 7.99 -1.26 -5.07 117.00 110.29 3i1q n LEU 73 Ca 0.00 1.86 -0.04 0.00 -0.01 0.00 0.00 56.01 57.82 3i1q n LEU 73 Cb 0.00 -2.39 -0.01 0.00 -0.11 0.00 0.00 43.42 40.91 3i1q n LEU 73 CO 0.00 -2.54 0.05 0.00 -1.51 0.00 0.00 177.39 173.39 3i1q n GLN 74 N 1.99 0.20 0.00 3.23 0.00 -1.26 -4.94 117.38 116.59 3i1q n GLN 74 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 57.00 56.19 3i1q n GLN 74 Cb 0.09 0.73 0.00 0.00 0.00 0.00 0.00 30.24 31.06 3i1q n GLN 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3i1q n GLU 75 N -0.16 0.00 0.00 2.61 -0.58 -1.26 -3.67 120.64 117.59 3i1q n GLU 75 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1q n GLU 75 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 3i1q n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i1q n HIS 76 N 0.00 0.00 -0.54 -0.32 8.25 -1.26 -4.51 115.22 116.83 3i1q n HIS 76 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1q n HIS 76 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1q n HIS 76 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1q n SER 77 N 0.00 -3.11 -4.72 0.41 7.64 -1.24 -4.64 113.62 107.95 3i1q n SER 77 Ca 0.00 0.21 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 3i1q n SER 77 Cb 0.00 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.25 3i1q n SER 77 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i1q s VAL 78 N -0.56 5.30 0.47 0.44 1.01 -1.26 -4.28 120.40 121.52 3i1q s VAL 78 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3i1q s VAL 78 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3i1q s VAL 78 CO 0.00 0.38 0.04 0.27 0.00 0.00 0.00 175.10 175.79 3i1q s ILE 79 N 0.51 1.11 -0.38 2.22 -4.36 -0.59 -2.48 121.20 117.23 3i1q s ILE 79 Ca 0.17 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 3i1q s ILE 79 Cb -0.13 -2.33 0.11 0.00 1.25 0.00 0.00 42.46 41.36 3i1q s ILE 79 CO 0.04 0.00 0.10 -0.22 0.24 0.00 0.00 174.94 175.10 3i1q s LEU 80 N -3.77 4.79 0.48 0.37 2.96 -1.26 -0.72 118.68 121.52 3i1q s LEU 80 Ca 0.15 -2.26 -0.23 0.00 -0.22 0.00 0.00 54.13 51.57 3i1q s LEU 80 Cb 0.03 -1.66 -0.07 0.00 0.50 0.00 0.00 46.19 44.99 3i1q s LEU 80 CO 0.08 -0.38 1.23 -0.51 -1.32 0.00 0.00 176.35 175.44 3i1q s ILE 81 N 0.77 2.78 0.00 6.68 2.07 -0.23 -0.59 121.20 132.69 3i1q s ILE 81 Ca 0.11 0.59 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 3i1q s ILE 81 Cb -0.20 -3.30 0.00 0.00 0.13 0.00 0.00 42.46 39.09 3i1q s ILE 81 CO -0.06 -0.01 0.00 -1.14 -1.91 0.00 0.00 174.94 171.82 3i1q n ARG 82 N -0.63 0.00 0.00 3.50 0.63 0.25 -2.78 116.66 117.63 3i1q n ARG 82 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3i1q n ARG 82 Cb 0.47 -0.27 0.00 0.00 0.45 0.00 0.00 32.46 33.11 3i1q n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1q n GLY 83 N 2.41 4.45 0.00 5.14 0.00 -1.24 -4.61 105.19 111.33 3i1q n GLY 83 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3i1q n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 84 N -1.49 3.74 3.94 -0.02 0.00 -1.16 -4.23 105.19 105.97 3i1q n GLY 84 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 3i1q n GLY 84 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1q s ARG 85 N -5.85 1.10 -0.49 1.61 1.70 -1.21 -2.78 118.95 113.03 3i1q s ARG 85 Ca 0.00 -0.44 0.04 0.00 -0.47 0.00 0.00 55.73 54.86 3i1q s ARG 85 Cb 0.00 -1.96 0.17 0.00 -0.57 0.00 0.00 34.95 32.58 3i1q s ARG 85 CO 0.00 -2.06 0.37 0.08 -1.08 0.00 0.00 175.30 172.60 3i1q s VAL 86 N -3.68 1.10 -0.82 4.99 1.01 -1.22 -4.91 120.40 116.87 3i1q s VAL 86 Ca 0.70 -3.03 -0.20 0.00 0.00 0.00 0.00 61.98 59.45 3i1q s VAL 86 Cb -0.06 -1.75 -0.19 0.00 0.00 0.00 0.00 36.38 34.38 3i1q s VAL 86 CO 0.50 -1.13 2.16 2.29 0.00 0.00 0.00 175.10 178.92 3i1q n LYS 87 N 2.74 0.28 0.00 2.72 2.85 -1.26 -0.12 118.16 125.37 3i1q n LYS 87 Ca 0.24 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.72 3i1q n LYS 87 Cb 0.43 -2.93 0.00 0.00 -0.65 0.00 0.00 35.03 31.88 3i1q n LYS 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3i1q n ASP 88 N 14.92 0.00 -4.18 -5.58 4.64 -1.26 -4.97 116.55 120.12 3i1q n ASP 88 Ca 0.46 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 53.47 3i1q n ASP 88 Cb 0.38 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.37 3i1q n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3i1q s LEU 89 N 0.00 5.58 -0.03 -2.67 2.01 0.83 -2.00 118.68 122.40 3i1q s LEU 89 Ca 0.00 -1.99 -0.29 0.00 0.01 0.00 0.00 54.13 51.86 3i1q s LEU 89 Cb 0.00 -1.96 -0.08 0.00 0.01 0.00 0.00 46.19 44.16 3i1q s LEU 89 CO 0.00 -0.64 2.05 -2.65 1.01 0.00 0.00 176.35 176.12 3i1q n PRO 90 N 4.76 2.63 0.00 1.29 -0.02 -1.26 -1.59 135.00 140.80 3i1q n PRO 90 Ca -0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3i1q n PRO 90 Cb 0.41 -3.08 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 3i1q n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1q n GLY 91 N 4.90 1.78 3.62 -1.23 0.00 -1.26 -5.04 105.19 107.97 3i1q n GLY 91 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3i1q n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1q s VAL 92 N -2.04 3.62 0.00 1.61 1.01 -0.62 -4.74 120.40 119.24 3i1q s VAL 92 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3i1q s VAL 92 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3i1q s VAL 92 CO 0.00 -0.30 0.45 0.54 0.00 0.00 0.00 175.10 175.78 3i1q n ARG 93 N 7.81 -0.38 -3.99 2.72 1.74 -1.25 -3.36 116.66 119.94 3i1q n ARG 93 Ca 0.20 -0.49 -0.08 0.00 -0.77 0.00 0.00 57.85 56.70 3i1q n ARG 93 Cb 0.45 -0.88 -0.09 0.00 -1.02 0.00 0.00 32.46 30.92 3i1q n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i1q s TYR 94 N -0.10 0.40 0.50 -1.55 2.02 -1.12 -2.99 117.35 114.52 3i1q s TYR 94 Ca 0.00 -0.87 0.07 0.00 -0.37 0.00 0.00 57.07 55.90 3i1q s TYR 94 Cb 0.00 -0.24 0.07 0.00 -0.40 0.00 0.00 41.96 41.39 3i1q s TYR 94 CO 0.00 -0.49 0.55 0.72 -1.57 0.00 0.00 175.55 174.75 3i1q n HIS 95 N -0.01 -1.59 -4.32 2.71 8.25 -1.22 -1.55 115.22 117.48 3i1q n HIS 95 Ca -0.13 -1.95 -0.29 0.00 -0.26 0.00 0.00 57.72 55.10 3i1q n HIS 95 Cb 0.62 -0.44 -0.17 0.00 1.12 0.00 0.00 29.99 31.12 3i1q n HIS 95 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3i1q s THR 96 N -2.28 1.46 -0.26 1.59 -4.23 -1.21 0.88 115.64 111.60 3i1q s THR 96 Ca 0.41 -0.60 -0.28 0.00 -1.18 0.00 0.00 61.69 60.04 3i1q s THR 96 Cb -0.03 -1.35 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 3i1q s THR 96 CO 0.26 0.44 2.26 0.52 -0.54 0.00 0.00 174.62 177.55 3i1q n VAL 97 N 4.37 0.28 -2.02 2.29 0.31 0.25 -4.70 118.33 119.11 3i1q n VAL 97 Ca -0.18 -0.51 -0.42 0.00 -0.01 0.00 0.00 64.34 63.21 3i1q n VAL 97 Cb 0.51 -2.60 -0.03 0.00 -0.91 0.00 0.00 33.84 30.81 3i1q n VAL 97 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1q s ARG 98 N 6.64 4.20 0.00 5.55 1.81 -1.26 -3.18 118.95 132.71 3i1q s ARG 98 Ca 1.01 2.18 0.00 0.00 -1.72 0.00 0.00 55.73 57.20 3i1q s ARG 98 Cb -0.32 -3.88 0.00 0.00 -0.45 0.00 0.00 34.95 30.31 3i1q s ARG 98 CO 0.34 -0.80 0.00 0.41 -0.68 0.00 0.00 175.30 174.57 3i1q n GLY 99 N 4.05 0.89 3.76 -3.53 0.00 -0.73 -2.92 105.19 106.71 3i1q n GLY 99 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3i1q n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q s ALA 100 N -2.00 3.53 0.00 4.61 0.00 -1.19 -4.82 121.76 121.88 3i1q s ALA 100 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3i1q s ALA 100 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3i1q s ALA 100 CO 0.00 0.68 0.00 1.28 0.00 0.00 0.00 175.76 177.72 3i1q n LEU 101 N 1.23 0.00 -0.03 0.00 4.32 -1.26 -1.09 117.00 120.17 3i1q n LEU 101 Ca -0.13 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.91 3i1q n LEU 101 Cb 0.53 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.16 3i1q n LEU 101 CO 0.37 0.00 -0.83 0.47 -1.22 0.00 0.00 177.39 176.18 3i1q n ASP 102 N 9.33 0.03 -4.68 -1.43 8.00 -1.04 -4.97 116.55 121.79 3i1q n ASP 102 Ca 0.00 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 3i1q n ASP 102 Cb 0.00 1.69 -0.03 0.00 -0.02 0.00 0.00 41.12 42.76 3i1q n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1q s SER 104 N 1.83 2.16 0.91 0.00 0.15 -1.26 -2.40 113.70 115.10 3i1q s SER 104 Ca 0.61 1.83 -0.14 0.00 0.70 0.00 0.00 55.95 58.95 3i1q s SER 104 Cb -0.29 -2.42 0.17 0.00 -1.71 0.00 0.00 66.02 61.78 3i1q s SER 104 CO 0.24 -3.51 1.27 -0.83 1.20 0.00 0.00 173.24 171.61 3i1q s GLY 105 N -2.70 1.74 -0.23 9.45 0.00 -1.26 -1.77 107.32 112.56 3i1q s GLY 105 Ca 0.67 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 3i1q s GLY 105 CO 0.61 -0.43 0.77 0.14 0.00 0.00 0.00 173.10 174.19 3i1q s VAL 106 N -3.78 4.89 0.30 1.40 1.01 -0.32 -4.92 120.40 118.99 3i1q s VAL 106 Ca 0.71 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.86 3i1q s VAL 106 Cb -0.05 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 3i1q s VAL 106 CO 0.52 -0.02 1.34 -0.75 0.00 0.00 0.00 175.10 176.19 3i1q s LYS 107 N 2.56 4.33 -1.14 2.72 2.20 -1.26 -3.75 119.74 125.41 3i1q s LYS 107 Ca 0.33 2.23 -0.09 0.00 -0.36 0.00 0.00 55.97 58.08 3i1q s LYS 107 Cb -0.16 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3i1q s LYS 107 CO 0.09 -0.25 0.85 -0.25 -0.36 0.00 0.00 175.35 175.42 3i1q n ASP 108 N 1.29 -4.87 -3.99 1.43 8.00 -1.26 -5.00 116.55 112.15 3i1q n ASP 108 Ca 0.02 -0.82 -0.27 0.00 0.71 0.00 0.00 54.79 54.43 3i1q n ASP 108 Cb 0.41 -4.41 -0.17 0.00 -0.02 0.00 0.00 41.12 36.94 3i1q n ASP 108 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i1q s ARG 109 N -5.27 1.85 0.00 -1.24 3.00 -1.25 -5.00 118.95 111.05 3i1q s ARG 109 Ca 0.35 -0.41 0.00 0.00 -1.00 0.00 0.00 55.73 54.66 3i1q s ARG 109 Cb -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 34.95 33.18 3i1q s ARG 109 CO 0.79 -0.14 0.00 1.63 0.00 0.00 0.00 175.30 177.58 3i1q n LYS 110 N 4.45 4.78 -3.89 5.12 5.02 -1.26 -4.80 118.16 127.57 3i1q n LYS 110 Ca -0.17 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.76 3i1q n LYS 110 Cb 0.51 -0.39 -0.14 0.00 -0.02 0.00 0.00 35.03 34.99 3i1q n LYS 110 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3i1q s GLN 111 N -0.77 2.95 -0.54 1.97 -0.21 -1.26 -4.64 119.66 117.17 3i1q s GLN 111 Ca 0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 55.36 54.43 3i1q s GLN 111 Cb 0.00 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.90 3i1q s GLN 111 CO 0.00 -0.40 0.38 0.00 -2.12 0.00 0.00 175.29 173.15 3i1q n ALA 112 N 4.74 -0.45 0.30 6.09 0.00 -1.26 -4.92 120.51 125.01 3i1q n ALA 112 Ca -0.16 0.14 0.20 0.00 0.00 0.00 0.00 53.44 53.62 3i1q n ALA 112 Cb 0.47 -2.21 1.00 0.00 0.00 0.00 0.00 19.45 18.72 3i1q n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q h ARG 113 N -0.87 0.00 0.00 0.00 3.08 -1.87 -3.00 114.38 111.73 3i1q h ARG 113 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3i1q h ARG 113 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3i1q h ARG 113 CO 0.21 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.56 3i1q n SER 114 N -2.92 0.00 -4.77 7.04 2.88 -1.26 -1.95 113.62 112.63 3i1q n SER 114 Ca -0.02 0.73 -0.41 0.00 -1.33 0.00 0.00 58.87 57.84 3i1q n SER 114 Cb 0.12 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 3i1q n SER 114 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1q n LYS 115 N -1.74 2.60 -0.46 -1.46 5.02 -1.13 -2.38 118.16 118.60 3i1q n LYS 115 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 3i1q n LYS 115 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 3i1q n LYS 115 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i1q n TYR 116 N 0.32 0.00 -2.99 2.13 4.01 -1.25 -4.74 117.16 114.63 3i1q n TYR 116 Ca 0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3i1q n TYR 116 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.42 3i1q n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1q n GLY 117 N -2.00 -1.84 3.35 2.72 0.00 -0.83 -1.17 105.19 105.43 3i1q n GLY 117 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3i1q n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1q s VAL 118 N -1.24 0.02 0.29 1.61 1.01 -1.02 -2.97 120.40 118.11 3i1q s VAL 118 Ca -0.00 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3i1q s VAL 118 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3i1q s VAL 118 CO 0.33 -0.11 0.08 -0.54 0.00 0.00 0.00 175.10 174.86 3i1q s LYS 119 N -0.78 2.40 -0.59 2.72 1.02 -1.26 -4.56 119.74 118.69 3i1q s LYS 119 Ca -0.09 -1.42 -0.35 0.00 0.02 0.00 0.00 55.97 54.13 3i1q s LYS 119 Cb -0.03 -2.21 -0.16 0.00 -0.52 0.00 0.00 37.83 34.91 3i1q s LYS 119 CO 0.05 0.27 2.35 0.54 -0.92 0.00 0.00 175.35 177.63 3i1q n ARG 120 N -1.03 0.49 -0.50 1.68 5.12 -1.26 -4.74 116.66 116.42 3i1q n ARG 120 Ca -0.05 0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 3i1q n ARG 120 Cb 0.60 -2.06 -0.05 0.00 -1.16 0.00 0.00 32.46 29.78 3i1q n ARG 120 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i1q n PRO 121 N 8.20 1.17 -2.97 5.56 -0.04 -1.26 -4.48 135.00 141.17 3i1q n PRO 121 Ca 0.51 -0.73 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 3i1q n PRO 121 Cb 0.14 -1.94 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 3i1q n PRO 121 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i1q n LYS 122 N 3.32 -2.36 0.00 0.54 5.02 -1.26 -5.27 118.16 118.15 3i1q n LYS 122 Ca 0.25 2.03 0.00 0.00 -2.02 0.00 0.00 58.31 58.57 3i1q n LYS 122 Cb 0.31 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 3i1q n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88