#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z s THR 2 N 0.00 2.34 0.16 0.00 2.01 -1.26 -4.84 115.64 114.05 3i1z s THR 2 Ca 0.00 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.05 3i1z s THR 2 Cb 0.00 -3.17 0.07 0.00 0.01 0.00 0.00 72.50 69.41 3i1z s THR 2 CO 0.00 0.03 1.62 -0.37 -0.69 0.00 0.00 174.62 175.21 3i1z h VAL 3 N 3.70 0.35 -0.70 3.82 -1.51 -2.04 0.59 116.25 120.45 3i1z h VAL 3 Ca -0.45 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.11 3i1z h VAL 3 Cb 1.21 0.35 -0.05 0.00 -2.13 0.00 0.00 31.29 30.68 3i1z h VAL 3 CO 0.86 0.00 0.46 -1.13 -1.23 0.00 0.00 177.57 176.54 3i1z h ASN 4 N -0.20 0.56 -0.45 4.19 -1.24 -2.00 0.11 115.58 116.56 3i1z h ASN 4 Ca 0.18 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 57.06 3i1z h ASN 4 Cb 0.47 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 3i1z h ASN 4 CO -0.47 0.34 -0.24 1.56 -1.29 0.00 0.00 177.43 177.33 3i1z h GLN 5 N 0.63 0.95 0.00 6.67 4.20 -1.39 -2.77 115.11 123.39 3i1z h GLN 5 Ca 0.32 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3i1z h GLN 5 Cb 0.42 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 3i1z h GLN 5 CO -0.11 1.09 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.00 3i1z h LEU 6 N 0.79 0.00 0.18 1.46 4.07 0.26 -2.31 115.31 119.76 3i1z h LEU 6 Ca 0.10 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.74 3i1z h LEU 6 Cb 0.82 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.59 3i1z h LEU 6 CO 0.07 0.07 -1.36 0.58 -1.08 0.00 0.00 178.44 176.71 3i1z h VAL 7 N 0.00 1.30 0.00 1.22 2.07 -0.92 -1.53 116.25 118.39 3i1z h VAL 7 Ca -0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 3i1z h VAL 7 Cb 0.37 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3i1z h VAL 7 CO 0.01 0.79 0.00 0.54 0.02 0.00 0.00 177.57 178.93 3i1z n ARG 8 N -3.74 0.00 -3.87 1.57 1.74 -1.06 -4.43 116.66 106.86 3i1z n ARG 8 Ca -0.15 0.51 -0.31 0.00 -0.77 0.00 0.00 57.85 57.13 3i1z n ARG 8 Cb 1.05 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.90 3i1z n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3i1z s LYS 9 N -2.85 2.29 1.18 5.56 2.20 -0.89 -5.11 119.74 122.12 3i1z s LYS 9 Ca 0.00 -2.83 -0.14 0.00 -0.36 0.00 0.00 55.97 52.63 3i1z s LYS 9 Cb 0.00 -3.46 0.25 0.00 -1.51 0.00 0.00 37.83 33.11 3i1z s LYS 9 CO 0.00 -1.17 0.74 -0.35 -0.36 0.00 0.00 175.35 174.21 3i1z n PRO 10 N 2.84 -2.37 -2.59 4.03 -0.04 -0.58 -4.56 135.00 131.73 3i1z n PRO 10 Ca 0.10 -0.67 -0.38 0.00 -0.04 0.00 0.00 63.50 62.52 3i1z n PRO 10 Cb 0.34 -2.04 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 3i1z n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i1z s ARG 11 N -4.14 4.45 0.11 0.54 0.52 -1.26 -5.04 118.95 114.13 3i1z s ARG 11 Ca 0.65 1.55 0.07 0.00 -0.52 0.00 0.00 55.73 57.48 3i1z s ARG 11 Cb -0.22 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 3i1z s ARG 11 CO 0.66 0.11 -0.16 0.00 0.02 0.00 0.00 175.30 175.92 3i1z s ALA 12 N -1.47 1.54 -0.15 2.13 0.00 -1.26 -5.13 121.76 117.43 3i1z s ALA 12 Ca 0.51 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 3i1z s ALA 12 Cb -0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3i1z s ALA 12 CO 0.31 0.21 0.53 0.50 0.00 0.00 0.00 175.76 177.31 3i1z s ARG 13 N -2.19 4.29 0.68 0.00 6.06 -1.26 -5.05 118.95 121.48 3i1z s ARG 13 Ca 0.06 0.51 -0.17 0.00 -2.50 0.00 0.00 55.73 53.62 3i1z s ARG 13 Cb -0.08 -3.49 0.01 0.00 0.06 0.00 0.00 34.95 31.45 3i1z s ARG 13 CO 0.04 0.01 1.27 0.36 -2.50 0.00 0.00 175.30 174.47 3i1z n LYS 14 N 4.18 0.90 -3.66 5.12 2.85 -1.26 -5.01 118.16 121.29 3i1z n LYS 14 Ca -0.05 0.37 -0.32 0.00 -1.05 0.00 0.00 58.31 57.26 3i1z n LYS 14 Cb 0.51 -2.51 -0.05 0.00 -0.65 0.00 0.00 35.03 32.33 3i1z n LYS 14 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i1z s VAL 15 N -1.55 5.16 -0.25 0.58 1.01 -1.26 -5.08 120.40 119.01 3i1z s VAL 15 Ca 0.81 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 3i1z s VAL 15 Cb -0.36 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3i1z s VAL 15 CO 0.43 0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.74 3i1z s ALA 16 N -1.58 3.26 -0.18 5.51 0.00 -1.26 -5.08 121.76 122.43 3i1z s ALA 16 Ca 0.38 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 3i1z s ALA 16 Cb -0.13 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 3i1z s ALA 16 CO 0.23 -0.47 0.47 -1.59 0.00 0.00 0.00 175.76 174.39 3i1z s LYS 17 N 1.59 4.22 0.41 0.00 0.00 -1.26 -5.05 119.74 119.64 3i1z s LYS 17 Ca 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 55.97 56.15 3i1z s LYS 17 Cb -0.15 -3.52 -0.10 0.00 0.00 0.00 0.00 37.83 34.06 3i1z s LYS 17 CO 0.05 -0.04 1.00 -1.54 0.00 0.00 0.00 175.35 174.83 3i1z s SER 18 N 0.99 6.83 -0.04 0.03 1.04 -1.26 -4.92 113.70 116.37 3i1z s SER 18 Ca 0.23 1.89 0.02 0.00 0.48 0.00 0.00 55.95 58.58 3i1z s SER 18 Cb -0.15 -2.57 0.15 0.00 0.10 0.00 0.00 66.02 63.55 3i1z s SER 18 CO 0.09 -0.43 0.72 -3.20 0.98 0.00 0.00 173.24 171.40 3i1z n ASN 19 N -0.26 1.85 -2.52 7.02 5.15 -1.26 -3.30 115.26 121.94 3i1z n ASN 19 Ca 0.06 -2.17 -0.16 0.00 -0.60 0.00 0.00 54.58 51.71 3i1z n ASN 19 Cb 0.51 -0.53 0.02 0.00 -0.53 0.00 0.00 39.78 39.25 3i1z n ASN 19 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i1z n VAL 20 N 0.11 1.76 0.04 3.44 0.24 -1.26 -4.85 118.33 117.81 3i1z n VAL 20 Ca 0.05 -3.86 0.22 0.00 -2.04 0.00 0.00 64.34 58.70 3i1z n VAL 20 Cb 0.42 -0.18 0.73 0.00 -1.47 0.00 0.00 33.84 33.34 3i1z n VAL 20 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i1z h PRO 21 N 2.66 0.00 -5.10 7.34 0.11 -1.94 -3.42 132.00 131.66 3i1z h PRO 21 Ca 0.11 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.72 3i1z h PRO 21 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 3i1z h PRO 21 CO 0.61 0.00 1.74 0.00 -0.21 0.00 0.00 178.00 180.14 3i1z n ALA 22 N -2.41 0.38 -0.83 -0.75 0.00 -1.26 -4.68 120.51 110.96 3i1z n ALA 22 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3i1z n ALA 22 Cb 0.68 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3i1z n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1z n LEU 23 N 11.38 0.00 0.00 0.00 7.94 -1.26 -4.30 117.00 130.75 3i1z n LEU 23 Ca 0.61 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.51 3i1z n LEU 23 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3i1z n LEU 23 CO 0.90 -0.39 0.00 -0.62 -1.11 0.00 0.00 177.39 176.17 3i1z n GLU 24 N 0.00 0.00 -3.39 1.96 -0.58 -1.26 -3.84 120.64 113.53 3i1z n GLU 24 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 3i1z n GLU 24 Cb 0.00 -3.02 0.00 0.00 -0.57 0.00 0.00 31.44 27.85 3i1z n GLU 24 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1z n ALA 25 N 0.78 -2.06 -2.36 0.62 0.00 -1.26 -4.95 120.51 111.28 3i1z n ALA 25 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 3i1z n ALA 25 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 3i1z n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z h PRO 27 N 1.17 0.00 0.00 0.00 0.11 -1.94 -3.45 132.00 127.89 3i1z h PRO 27 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i1z h PRO 27 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i1z h PRO 27 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3i1z n GLN 28 N -2.41 0.00 -4.19 1.05 0.00 -1.26 -4.84 117.38 105.72 3i1z n GLN 28 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.87 3i1z n GLN 28 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.31 3i1z n GLN 28 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i1z s LYS 29 N -2.00 0.92 -0.10 2.61 1.02 -1.17 -5.02 119.74 116.01 3i1z s LYS 29 Ca 0.00 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 54.49 3i1z s LYS 29 Cb 0.00 -0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.03 3i1z s LYS 29 CO 0.00 -0.05 0.24 0.50 -0.92 0.00 0.00 175.35 175.12 3i1z s ARG 30 N -3.86 3.74 0.18 1.68 3.52 -1.26 -2.03 118.95 120.92 3i1z s ARG 30 Ca 0.16 0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.78 3i1z s ARG 30 Cb 0.05 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3i1z s ARG 30 CO -0.02 0.65 0.13 0.20 -0.81 0.00 0.00 175.30 175.45 3i1z s GLY 31 N -0.74 1.22 -0.00 8.12 0.00 -1.00 0.50 107.32 115.41 3i1z s GLY 31 Ca 0.17 -1.56 0.14 0.00 0.00 0.00 0.00 44.72 43.47 3i1z s GLY 31 CO 0.06 -1.33 0.55 -0.62 0.00 0.00 0.00 173.10 171.77 3i1z n VAL 32 N -0.22 0.00 -2.13 1.40 0.31 0.34 -0.41 118.33 117.62 3i1z n VAL 32 Ca -0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3i1z n VAL 32 Cb 0.65 0.92 0.00 0.00 -0.91 0.00 0.00 33.84 34.50 3i1z n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1z h THR 34 N 4.10 0.00 -3.37 0.00 2.02 -1.67 -3.41 112.91 110.59 3i1z h THR 34 Ca 0.00 -0.06 -0.54 0.00 0.77 0.00 0.00 66.41 66.58 3i1z h THR 34 Cb 0.00 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.23 3i1z h THR 34 CO 0.00 0.00 -0.79 -0.13 0.37 0.00 0.00 175.52 174.97 3i1z s ARG 35 N -3.17 1.28 -0.33 6.66 1.81 -1.25 -4.70 118.95 119.25 3i1z s ARG 35 Ca -0.04 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 52.58 3i1z s ARG 35 Cb 0.00 -1.39 0.08 0.00 -0.45 0.00 0.00 34.95 33.20 3i1z s ARG 35 CO 0.12 0.29 0.04 0.08 -0.68 0.00 0.00 175.30 175.15 3i1z s VAL 36 N -1.90 2.74 0.25 3.52 1.01 -1.26 -2.10 120.40 122.66 3i1z s VAL 36 Ca 0.15 -1.83 0.01 0.00 0.00 0.00 0.00 61.98 60.32 3i1z s VAL 36 Cb -0.06 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3i1z s VAL 36 CO 0.07 -0.35 0.11 -1.22 0.00 0.00 0.00 175.10 173.71 3i1z n TYR 37 N 4.49 -0.40 -3.66 5.22 0.53 -0.91 -4.99 117.16 117.44 3i1z n TYR 37 Ca -0.07 -1.14 -0.08 0.00 -1.02 0.00 0.00 57.90 55.60 3i1z n TYR 37 Cb 0.42 -0.19 -0.09 0.00 -1.03 0.00 0.00 39.34 38.45 3i1z n TYR 37 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3i1z s THR 38 N -1.52 -0.59 0.09 -0.72 -4.23 -1.26 -2.03 115.64 105.38 3i1z s THR 38 Ca 0.09 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 3i1z s THR 38 Cb -0.01 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.15 3i1z s THR 38 CO 0.05 0.06 0.04 0.35 -0.54 0.00 0.00 174.62 174.58 3i1z n THR 39 N 5.24 0.00 -3.94 3.99 -2.24 -0.83 -4.89 114.28 111.62 3i1z n THR 39 Ca -0.11 -0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 3i1z n THR 39 Cb 0.50 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3i1z n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i1z s THR 40 N -0.84 4.86 0.53 4.28 -4.23 -1.26 -2.89 115.64 116.10 3i1z s THR 40 Ca 0.03 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 3i1z s THR 40 Cb -0.00 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.22 3i1z s THR 40 CO 0.02 -0.31 0.46 -0.81 -0.54 0.00 0.00 174.62 173.44 3i1z n PRO 41 N -1.38 0.69 -2.44 3.99 -0.05 -1.26 -4.72 135.00 129.83 3i1z n PRO 41 Ca -0.07 -3.25 -0.31 0.00 -0.05 0.00 0.00 63.50 59.82 3i1z n PRO 41 Cb 0.57 0.25 -0.02 0.00 -0.05 0.00 0.00 33.50 34.26 3i1z n PRO 41 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 175.50 175.60 3i1z s LYS 42 N -4.23 3.75 0.00 0.54 1.02 -0.70 -4.87 119.74 115.26 3i1z s LYS 42 Ca 0.35 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.99 3i1z s LYS 42 Cb -0.03 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3i1z s LYS 42 CO 0.22 -0.26 0.00 1.63 -0.92 0.00 0.00 175.35 176.02 3i1z n LYS 43 N -1.88 0.00 -0.25 1.68 4.01 -1.26 -1.58 118.16 118.87 3i1z n LYS 43 Ca 0.04 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.80 3i1z n LYS 43 Cb 0.54 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 35.13 3i1z n LYS 43 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3i1z h PRO 44 N 0.00 0.89 -6.19 1.97 0.13 -2.01 -3.43 132.00 123.36 3i1z h PRO 44 Ca 0.00 -0.05 -0.51 0.00 -0.87 0.00 0.00 66.00 64.57 3i1z h PRO 44 Cb 0.00 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 30.91 3i1z h PRO 44 CO 0.00 0.59 -0.39 -0.80 -0.23 0.00 0.00 178.00 177.17 3i1z s ASN 45 N -5.80 6.34 -0.03 1.44 0.02 -0.62 -5.12 114.94 111.17 3i1z s ASN 45 Ca -0.13 0.24 -0.01 0.00 -1.02 0.00 0.00 52.86 51.93 3i1z s ASN 45 Cb 0.15 -1.94 0.02 0.00 0.02 0.00 0.00 41.25 39.50 3i1z s ASN 45 CO 0.77 -0.05 0.06 -0.55 0.02 0.00 0.00 177.10 177.36 3i1z s SER 46 N -3.51 -0.02 0.00 -1.22 0.15 -1.26 -4.25 113.70 103.58 3i1z s SER 46 Ca 0.36 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.13 3i1z s SER 46 Cb -0.10 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3i1z s SER 46 CO 0.30 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.65 3i1z n ALA 47 N 3.71 0.00 -2.72 5.45 0.00 -1.26 -5.00 120.51 120.69 3i1z n ALA 47 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 3i1z n ALA 47 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.05 3i1z n ALA 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1z n LEU 48 N 0.00 0.70 -4.55 0.00 7.94 -1.26 -4.64 117.00 115.18 3i1z n LEU 48 Ca 0.00 -3.42 -0.43 0.00 -1.11 0.00 0.00 56.01 51.05 3i1z n LEU 48 Cb 0.00 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.30 3i1z n LEU 48 CO 0.00 1.47 0.42 0.54 -1.11 0.00 0.00 177.39 178.71 3i1z n ARG 49 N -0.44 1.08 -3.14 1.96 3.00 -1.14 -4.51 116.66 113.47 3i1z n ARG 49 Ca 0.04 0.39 -0.40 0.00 -0.01 0.00 0.00 57.85 57.87 3i1z n ARG 49 Cb 0.82 -1.80 -0.06 0.00 0.00 0.00 0.00 32.46 31.42 3i1z n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3i1z s LYS 50 N -1.73 4.17 0.12 5.56 3.01 -1.26 -1.96 119.74 127.64 3i1z s LYS 50 Ca 0.62 0.55 0.01 0.00 -1.01 0.00 0.00 55.97 56.14 3i1z s LYS 50 Cb -0.63 -3.60 -0.00 0.00 -1.01 0.00 0.00 37.83 32.59 3i1z s LYS 50 CO 0.58 -0.29 0.13 1.33 0.51 0.00 0.00 175.35 177.61 3i1z n VAL 51 N 4.86 0.00 0.00 3.17 0.24 -0.86 -1.41 118.33 124.33 3i1z n VAL 51 Ca -0.02 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 3i1z n VAL 51 Cb 0.50 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 3i1z n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1z s ARG 53 N -2.00 4.00 -0.22 0.00 0.52 -0.89 -0.28 118.95 120.08 3i1z s ARG 53 Ca 0.00 0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 55.98 3i1z s ARG 53 Cb 0.00 -2.29 0.12 0.00 0.52 0.00 0.00 34.95 33.30 3i1z s ARG 53 CO 0.00 -0.03 0.34 0.08 0.02 0.00 0.00 175.30 175.71 3i1z s VAL 54 N -2.27 -0.54 -0.54 3.52 1.01 0.45 -2.06 120.40 119.99 3i1z s VAL 54 Ca 0.57 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 3i1z s VAL 54 Cb -0.10 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3i1z s VAL 54 CO 0.22 -0.10 1.39 -0.60 0.00 0.00 0.00 175.10 176.01 3i1z s ARG 55 N 2.50 3.37 1.00 2.72 3.52 -1.26 -1.59 118.95 129.21 3i1z s ARG 55 Ca 0.09 0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 56.05 3i1z s ARG 55 Cb -0.15 -4.09 0.25 0.00 -1.56 0.00 0.00 34.95 29.40 3i1z s ARG 55 CO -0.14 -1.84 0.90 1.28 -0.81 0.00 0.00 175.30 174.69 3i1z n LEU 56 N 9.32 0.00 0.02 -0.88 4.77 0.34 -0.51 117.00 130.07 3i1z n LEU 56 Ca 0.13 -0.96 -0.05 0.00 -0.03 0.00 0.00 56.01 55.10 3i1z n LEU 56 Cb 0.49 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 3i1z n LEU 56 CO 0.71 -1.94 -0.26 0.00 -1.33 0.00 0.00 177.39 174.57 3i1z h THR 57 N -2.50 0.91 0.00 -5.08 1.03 -0.24 -3.26 112.91 103.78 3i1z h THR 57 Ca -0.34 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 63.46 3i1z h THR 57 Cb 1.03 2.39 0.00 0.00 -1.07 0.00 0.00 68.15 70.50 3i1z h THR 57 CO 0.22 0.52 0.00 -0.46 -0.01 0.00 0.00 175.52 175.79 3i1z n ASN 58 N -3.07 0.21 0.00 0.00 6.94 -1.26 -4.81 115.26 113.27 3i1z n ASN 58 Ca -0.10 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.05 3i1z n ASN 58 Cb 0.95 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 3i1z n ASN 58 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1z n GLY 59 N -1.26 2.03 3.76 4.83 0.00 -1.23 -4.98 105.19 108.34 3i1z n GLY 59 Ca -0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 3i1z n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1z s PHE 60 N -0.63 2.43 -0.28 1.61 0.40 -1.26 -4.66 117.98 115.59 3i1z s PHE 60 Ca 0.00 1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 57.84 3i1z s PHE 60 Cb 0.00 -3.46 0.05 0.00 0.51 0.00 0.00 43.02 40.12 3i1z s PHE 60 CO 0.00 -2.13 -0.04 -2.00 0.70 0.00 0.00 175.22 171.75 3i1z s GLU 61 N -3.31 2.44 0.06 0.44 2.12 -1.26 0.13 118.70 119.32 3i1z s GLU 61 Ca 0.77 -1.24 0.00 0.00 0.36 0.00 0.00 54.97 54.86 3i1z s GLU 61 Cb -0.30 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 3i1z s GLU 61 CO 0.32 -0.57 -0.05 0.54 -0.54 0.00 0.00 175.26 174.96 3i1z s VAL 62 N 1.23 0.41 -0.02 3.70 0.11 -0.62 -4.88 120.40 120.33 3i1z s VAL 62 Ca -0.05 -1.68 -0.21 0.00 -2.93 0.00 0.00 61.98 57.10 3i1z s VAL 62 Cb -0.19 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 3i1z s VAL 62 CO -0.03 -0.84 0.61 0.28 -3.33 0.00 0.00 175.10 171.79 3i1z s THR 63 N -3.29 4.94 -0.01 5.04 -1.32 -1.26 -0.41 115.64 119.34 3i1z s THR 63 Ca 0.05 1.26 0.01 0.00 -1.21 0.00 0.00 61.69 61.79 3i1z s THR 63 Cb 0.03 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 3i1z s THR 63 CO -0.06 0.39 -0.02 -0.55 -2.21 0.00 0.00 174.62 172.17 3i1z s SER 64 N -0.00 0.32 0.74 8.08 0.15 0.62 -3.86 113.70 119.75 3i1z s SER 64 Ca 0.32 -0.04 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 3i1z s SER 64 Cb -0.18 -0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.11 3i1z s SER 64 CO 0.17 0.02 1.08 -0.47 1.20 0.00 0.00 173.24 175.24 3i1z s TYR 65 N 0.08 2.75 -0.43 3.44 6.14 -0.42 -2.67 117.35 126.25 3i1z s TYR 65 Ca -0.00 1.51 0.02 0.00 0.64 0.00 0.00 57.07 59.24 3i1z s TYR 65 Cb -0.03 -3.00 0.13 0.00 0.42 0.00 0.00 41.96 39.48 3i1z s TYR 65 CO -0.00 -1.61 0.21 0.42 0.64 0.00 0.00 175.55 175.20 3i1z s ILE 66 N -2.93 1.63 0.15 3.14 1.01 -0.50 -1.55 121.20 122.14 3i1z s ILE 66 Ca 0.60 -2.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.43 3i1z s ILE 66 Cb -0.16 -2.15 -0.08 0.00 0.01 0.00 0.00 42.46 40.08 3i1z s ILE 66 CO 0.55 -0.82 1.25 -0.83 0.00 0.00 0.00 174.94 175.09 3i1z s GLY 67 N 0.45 2.46 0.00 6.18 0.00 -1.26 -4.63 107.32 110.51 3i1z s GLY 67 Ca 0.16 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3i1z s GLY 67 CO -0.04 2.02 0.00 0.61 0.00 0.00 0.00 173.10 175.69 3i1z n GLY 68 N 2.69 1.33 3.59 0.20 0.00 -1.26 -4.95 105.19 106.80 3i1z n GLY 68 Ca 0.07 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 3i1z n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i1z s GLU 69 N -1.52 3.68 0.22 1.61 2.02 -1.26 -4.90 118.70 118.56 3i1z s GLU 69 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.47 3i1z s GLU 69 Cb 0.00 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.32 3i1z s GLU 69 CO 0.00 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.35 3i1z n GLY 70 N 4.85 -2.99 3.62 -1.39 0.00 -1.26 -4.68 105.19 103.34 3i1z n GLY 70 Ca 0.11 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 3i1z n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i1z s HIS 71 N -3.74 -0.14 0.00 1.61 -3.43 -1.26 -4.86 115.29 103.47 3i1z s HIS 71 Ca 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 3i1z s HIS 71 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 3i1z s HIS 71 CO 0.00 -0.43 0.00 0.27 -2.00 0.00 0.00 174.74 172.58 3i1z n ASN 72 N -0.33 0.00 -1.98 7.38 6.94 -1.26 -5.08 115.26 120.93 3i1z n ASN 72 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 3i1z n ASN 72 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 3i1z n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3i1z n LEU 73 N 0.00 -4.42 0.00 -4.53 7.99 -1.26 -5.08 117.00 109.70 3i1z n LEU 73 Ca 0.00 2.66 0.00 0.00 -0.01 0.00 0.00 56.01 58.66 3i1z n LEU 73 Cb 0.00 -2.73 0.00 0.00 -0.11 0.00 0.00 43.42 40.58 3i1z n LEU 73 CO 0.00 -1.56 0.00 0.00 -1.51 0.00 0.00 177.39 174.32 3i1z n GLN 74 N 1.86 0.00 0.00 3.23 0.00 -1.26 -4.94 117.38 116.27 3i1z n GLN 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3i1z n GLN 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i1z n GLN 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3i1z n GLU 75 N 0.00 0.00 0.00 2.61 -0.58 -1.26 -3.94 120.64 117.47 3i1z n GLU 75 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1z n GLU 75 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1z n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i1z n HIS 76 N -0.20 0.00 -1.92 -0.32 8.25 -1.26 -4.61 115.22 115.16 3i1z n HIS 76 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1z n HIS 76 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1z n HIS 76 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1z n SER 77 N 0.00 -7.20 -4.72 0.41 7.64 -1.25 -4.37 113.62 104.13 3i1z n SER 77 Ca 0.00 1.27 -0.42 0.00 1.01 0.00 0.00 58.87 60.74 3i1z n SER 77 Cb 0.00 -3.89 -0.03 0.00 -1.01 0.00 0.00 64.21 59.28 3i1z n SER 77 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i1z s VAL 78 N -0.41 4.02 0.12 0.44 1.01 -1.26 -4.11 120.40 120.21 3i1z s VAL 78 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.51 3i1z s VAL 78 Cb 0.00 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3i1z s VAL 78 CO 0.00 0.16 0.04 2.30 0.00 0.00 0.00 175.10 177.60 3i1z n ILE 79 N 3.50 0.00 -3.68 2.22 -5.35 0.45 -3.04 119.36 113.46 3i1z n ILE 79 Ca 0.07 -0.70 -0.30 0.00 -0.27 0.00 0.00 62.75 61.56 3i1z n ILE 79 Cb 0.46 0.25 -0.15 0.00 -1.74 0.00 0.00 39.64 38.47 3i1z n ILE 79 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3i1z s LEU 80 N 0.00 1.86 0.69 7.28 2.96 -1.26 -2.37 118.68 127.84 3i1z s LEU 80 Ca 0.06 -1.67 -0.16 0.00 -0.22 0.00 0.00 54.13 52.14 3i1z s LEU 80 Cb 0.00 -0.75 0.02 0.00 0.50 0.00 0.00 46.19 45.96 3i1z s LEU 80 CO 0.04 -0.40 1.22 -0.51 -1.32 0.00 0.00 176.35 175.37 3i1z s ILE 81 N 1.59 2.37 0.00 6.68 2.07 -0.86 0.37 121.20 133.43 3i1z s ILE 81 Ca 0.11 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 3i1z s ILE 81 Cb -0.18 -2.87 0.00 0.00 0.13 0.00 0.00 42.46 39.55 3i1z s ILE 81 CO -0.24 -0.08 0.00 -1.14 -1.91 0.00 0.00 174.94 171.56 3i1z n ARG 82 N -2.37 1.03 0.00 3.50 0.63 0.93 -3.04 116.66 117.34 3i1z n ARG 82 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3i1z n ARG 82 Cb 0.50 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.61 3i1z n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1z n GLY 83 N 2.37 1.28 0.00 5.14 0.00 -1.24 -4.61 105.19 108.13 3i1z n GLY 83 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3i1z n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 84 N 2.34 3.76 3.93 -0.02 0.00 -1.16 -4.38 105.19 109.66 3i1z n GLY 84 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 3i1z n GLY 84 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1z s ARG 85 N -4.87 1.70 -0.38 1.61 1.70 -1.26 -2.26 118.95 115.19 3i1z s ARG 85 Ca 0.00 -0.34 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 3i1z s ARG 85 Cb 0.00 -2.07 0.14 0.00 -0.57 0.00 0.00 34.95 32.45 3i1z s ARG 85 CO 0.00 -1.62 0.22 0.08 -1.08 0.00 0.00 175.30 172.89 3i1z s VAL 86 N -3.45 0.65 -0.38 4.99 1.01 -0.69 -4.92 120.40 117.61 3i1z s VAL 86 Ca 0.65 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 3i1z s VAL 86 Cb -0.08 -1.47 -0.15 0.00 0.00 0.00 0.00 36.38 34.68 3i1z s VAL 86 CO 0.47 -0.94 1.62 2.29 0.00 0.00 0.00 175.10 178.54 3i1z n LYS 87 N 3.89 0.81 0.00 2.72 2.85 -1.26 -1.81 118.16 125.36 3i1z n LYS 87 Ca 0.10 -1.16 0.00 0.00 -1.05 0.00 0.00 58.31 56.20 3i1z n LYS 87 Cb 0.36 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.29 3i1z n LYS 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i1z n ASP 88 N 6.48 0.00 -4.34 -5.58 10.43 -1.26 -4.92 116.55 117.36 3i1z n ASP 88 Ca 0.34 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 57.24 3i1z n ASP 88 Cb 0.24 0.18 -0.04 0.00 1.84 0.00 0.00 41.12 43.34 3i1z n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3i1z s LEU 89 N -4.45 6.08 0.15 0.64 2.01 -0.75 -1.71 118.68 120.64 3i1z s LEU 89 Ca 0.00 -2.01 -0.34 0.00 0.01 0.00 0.00 54.13 51.78 3i1z s LEU 89 Cb 0.00 -2.25 -0.14 0.00 0.01 0.00 0.00 46.19 43.81 3i1z s LEU 89 CO 0.00 -0.85 1.55 -2.65 1.01 0.00 0.00 176.35 175.41 3i1z n PRO 90 N 5.22 2.00 -0.27 1.29 -0.02 -1.26 -1.65 135.00 140.32 3i1z n PRO 90 Ca -0.01 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3i1z n PRO 90 Cb 0.44 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3i1z n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1z n GLY 91 N 3.29 0.83 3.33 -1.23 0.00 -1.26 -5.02 105.19 105.14 3i1z n GLY 91 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3i1z n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1z s VAL 92 N -2.08 5.30 -1.58 1.61 1.01 -0.66 -4.64 120.40 119.36 3i1z s VAL 92 Ca 0.00 -1.84 0.18 0.00 0.00 0.00 0.00 61.98 60.32 3i1z s VAL 92 Cb 0.00 -4.44 0.48 0.00 0.00 0.00 0.00 36.38 32.42 3i1z s VAL 92 CO 0.00 -1.01 1.40 0.54 0.00 0.00 0.00 175.10 176.03 3i1z n ARG 93 N 4.95 2.71 -3.68 2.72 1.74 -1.25 -1.70 116.66 122.15 3i1z n ARG 93 Ca 0.00 -2.36 -0.10 0.00 -0.77 0.00 0.00 57.85 54.62 3i1z n ARG 93 Cb 0.44 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 3i1z n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i1z s TYR 94 N -1.03 -0.17 0.35 -1.55 2.02 -0.96 -3.00 117.35 113.01 3i1z s TYR 94 Ca 0.37 -0.15 0.08 0.00 -0.37 0.00 0.00 57.07 57.00 3i1z s TYR 94 Cb 0.20 0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 42.06 3i1z s TYR 94 CO 0.26 -0.83 0.15 -1.01 -1.57 0.00 0.00 175.55 172.55 3i1z s HIS 95 N -3.84 2.70 -0.23 2.71 3.76 -1.23 -1.30 115.29 117.86 3i1z s HIS 95 Ca 0.07 -0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 54.52 3i1z s HIS 95 Cb 0.00 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 3i1z s HIS 95 CO -0.07 0.31 0.00 0.95 -0.85 0.00 0.00 174.74 175.08 3i1z s THR 96 N -2.44 3.74 -0.15 1.30 -4.23 -0.60 0.31 115.64 113.58 3i1z s THR 96 Ca 0.38 -0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 3i1z s THR 96 Cb -0.02 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 3i1z s THR 96 CO 0.23 0.39 1.97 -0.69 -0.54 0.00 0.00 174.62 175.99 3i1z s VAL 97 N 1.50 3.20 -0.29 2.29 1.01 0.16 -4.68 120.40 123.59 3i1z s VAL 97 Ca 0.06 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3i1z s VAL 97 Cb -0.15 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3i1z s VAL 97 CO -0.00 -0.10 1.17 -0.13 0.00 0.00 0.00 175.10 176.04 3i1z s ARG 98 N 5.33 4.04 0.00 2.72 1.81 -1.26 -3.30 118.95 128.29 3i1z s ARG 98 Ca 0.89 1.20 0.00 0.00 -1.72 0.00 0.00 55.73 56.10 3i1z s ARG 98 Cb -0.33 -3.79 0.00 0.00 -0.45 0.00 0.00 34.95 30.38 3i1z s ARG 98 CO 0.36 -0.95 0.00 0.41 -0.68 0.00 0.00 175.30 174.44 3i1z n GLY 99 N 3.98 1.77 3.69 -3.53 0.00 -0.04 -2.68 105.19 108.37 3i1z n GLY 99 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3i1z n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1z s ALA 100 N -2.09 3.60 0.00 4.61 0.00 -1.21 -4.93 121.76 121.74 3i1z s ALA 100 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3i1z s ALA 100 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3i1z s ALA 100 CO 0.00 -0.11 0.00 1.28 0.00 0.00 0.00 175.76 176.93 3i1z n LEU 101 N 4.08 0.00 0.14 0.00 4.32 -1.26 -2.63 117.00 121.65 3i1z n LEU 101 Ca -0.12 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.86 3i1z n LEU 101 Cb 0.52 0.00 0.22 0.00 -1.62 0.00 0.00 43.42 42.53 3i1z n LEU 101 CO 0.38 0.00 0.56 0.44 -1.22 0.00 0.00 177.39 177.55 3i1z h ASP 102 N 2.28 0.04 -1.78 -1.43 5.19 -1.91 -3.43 116.42 115.38 3i1z h ASP 102 Ca 0.00 -0.02 -0.52 0.00 -0.62 0.00 0.00 57.03 55.87 3i1z h ASP 102 Cb 0.00 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.50 3i1z h ASP 102 CO 0.00 0.57 1.57 0.00 -3.12 0.00 0.00 179.24 178.27 3i1z n SER 104 N 14.12 -2.05 -4.93 0.00 2.88 -1.26 -0.86 113.62 121.52 3i1z n SER 104 Ca 0.34 0.13 -0.25 0.00 -1.33 0.00 0.00 58.87 57.76 3i1z n SER 104 Cb 0.51 -1.13 0.05 0.00 -0.75 0.00 0.00 64.21 62.89 3i1z n SER 104 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i1z s GLY 105 N -2.01 1.68 -0.52 0.46 0.00 -1.26 -3.35 107.32 102.33 3i1z s GLY 105 Ca 0.58 -0.92 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 3i1z s GLY 105 CO 0.66 -0.56 0.98 0.14 0.00 0.00 0.00 173.10 174.32 3i1z s VAL 106 N -3.12 4.36 -0.49 1.40 1.01 -0.70 -4.95 120.40 117.90 3i1z s VAL 106 Ca 0.58 0.61 -0.37 0.00 0.00 0.00 0.00 61.98 62.80 3i1z s VAL 106 Cb -0.11 -4.53 -0.15 0.00 0.00 0.00 0.00 36.38 31.59 3i1z s VAL 106 CO 0.44 -1.03 2.26 1.17 0.00 0.00 0.00 175.10 177.94 3i1z n LYS 107 N 7.51 0.58 -1.73 2.72 4.81 -1.26 -2.14 118.16 128.65 3i1z n LYS 107 Ca 0.05 0.14 -0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3i1z n LYS 107 Cb 0.48 -2.09 -0.00 0.00 0.02 0.00 0.00 35.03 33.45 3i1z n LYS 107 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i1z n ASP 108 N 9.58 -1.55 -4.62 3.14 8.00 -1.26 -5.00 116.55 124.84 3i1z n ASP 108 Ca 0.49 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 3i1z n ASP 108 Cb 0.14 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 3i1z n ASP 108 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i1z s ARG 109 N -3.46 3.75 -0.08 -1.24 3.00 -0.91 -4.89 118.95 115.11 3i1z s ARG 109 Ca 0.00 1.36 0.16 0.00 -1.00 0.00 0.00 55.73 56.24 3i1z s ARG 109 Cb 0.00 -4.00 -0.23 0.00 0.00 0.00 0.00 34.95 30.72 3i1z s ARG 109 CO 0.00 -1.34 0.46 1.63 0.00 0.00 0.00 175.30 176.05 3i1z n LYS 110 N 7.70 0.65 -4.40 5.12 5.02 -1.26 -4.76 118.16 126.23 3i1z n LYS 110 Ca 0.17 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.29 3i1z n LYS 110 Cb 0.46 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3i1z n LYS 110 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3i1z s GLN 111 N -2.64 2.76 -0.69 1.97 -0.21 -1.26 -4.71 119.66 114.89 3i1z s GLN 111 Ca -0.06 -0.58 -0.09 0.00 0.02 0.00 0.00 55.36 54.64 3i1z s GLN 111 Cb 0.08 -2.64 0.01 0.00 1.00 0.00 0.00 33.01 31.46 3i1z s GLN 111 CO 0.83 0.64 0.64 0.00 -2.12 0.00 0.00 175.29 175.28 3i1z n ALA 112 N 1.73 -2.66 0.02 6.09 0.00 -1.26 -4.91 120.51 119.53 3i1z n ALA 112 Ca -0.16 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.47 3i1z n ALA 112 Cb 0.53 -1.57 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 3i1z n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1z n ARG 113 N -1.67 0.64 -0.30 0.00 1.74 -1.26 -3.95 116.66 111.86 3i1z n ARG 113 Ca -0.14 -0.08 0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3i1z n ARG 113 Cb 0.61 -1.62 0.29 0.00 -1.02 0.00 0.00 32.46 30.72 3i1z n ARG 113 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i1z h SER 114 N 0.00 0.11 -3.42 0.55 0.87 -1.91 -2.16 113.55 107.58 3i1z h SER 114 Ca -0.02 0.18 -0.54 0.00 -1.23 0.00 0.00 61.79 60.18 3i1z h SER 114 Cb 1.05 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 3i1z h SER 114 CO 0.00 -0.11 0.10 -0.54 -0.53 0.00 0.00 176.83 175.76 3i1z s LYS 115 N -5.92 4.43 0.00 2.24 1.02 -1.25 -3.83 119.74 116.43 3i1z s LYS 115 Ca -0.12 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.87 3i1z s LYS 115 Cb 0.25 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3i1z s LYS 115 CO 0.77 0.59 0.00 0.66 -0.92 0.00 0.00 175.35 176.46 3i1z n TYR 116 N 1.62 0.00 -3.82 3.18 4.01 -1.25 -4.59 117.16 116.31 3i1z n TYR 116 Ca -0.07 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.39 3i1z n TYR 116 Cb 0.49 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3i1z n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1z n GLY 117 N -2.93 -1.21 3.20 2.72 0.00 -0.86 -1.72 105.19 104.39 3i1z n GLY 117 Ca 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 3i1z n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1z s VAL 118 N -3.05 1.16 0.37 1.61 1.01 -0.93 -4.19 120.40 116.38 3i1z s VAL 118 Ca 0.07 -1.57 0.05 0.00 0.00 0.00 0.00 61.98 60.54 3i1z s VAL 118 Cb -0.04 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.05 3i1z s VAL 118 CO 0.88 -0.40 0.45 0.29 0.00 0.00 0.00 175.10 176.33 3i1z n LYS 119 N 0.77 0.80 -2.26 2.72 5.02 -1.26 -4.45 118.16 119.49 3i1z n LYS 119 Ca -0.17 -2.04 -0.42 0.00 -2.02 0.00 0.00 58.31 53.65 3i1z n LYS 119 Cb 0.56 -0.06 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 3i1z n LYS 119 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i1z s ARG 120 N -3.62 4.24 0.00 1.97 1.81 -1.26 -4.91 118.95 117.18 3i1z s ARG 120 Ca 0.34 1.88 -0.04 0.00 -1.72 0.00 0.00 55.73 56.19 3i1z s ARG 120 Cb -0.03 -3.76 -0.19 0.00 -0.45 0.00 0.00 34.95 30.52 3i1z s ARG 120 CO 0.22 -0.69 3.08 -0.35 -0.68 0.00 0.00 175.30 176.88 3i1z n PRO 121 N 6.33 1.67 -3.55 3.54 -0.04 -1.26 -4.60 135.00 137.08 3i1z n PRO 121 Ca 0.14 -0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 62.64 3i1z n PRO 121 Cb 0.44 -1.73 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 3i1z n PRO 121 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i1z n LYS 122 N 2.26 -1.43 0.00 0.54 5.02 -1.26 -5.29 118.16 118.00 3i1z n LYS 122 Ca 0.30 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3i1z n LYS 122 Cb 0.78 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 3i1z n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88