#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4j s GLU 2 N 0.00 0.45 0.01 3.17 -1.05 -1.26 -4.56 118.70 115.46 1i4j s GLU 2 Ca 0.00 -0.61 0.04 0.00 -0.15 0.00 0.00 54.97 54.24 1i4j s GLU 2 Cb 0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.44 1i4j s GLU 2 CO 0.00 0.04 -0.12 0.00 0.95 0.00 0.00 175.26 176.13 1i4j s ALA 3 N -1.14 1.02 0.16 -0.84 0.00 -0.75 -5.00 121.76 115.20 1i4j s ALA 3 Ca -0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 1i4j s ALA 3 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1i4j s ALA 3 CO 0.00 0.21 0.28 -1.59 0.00 0.00 0.00 175.76 174.67 1i4j s LYS 4 N -0.68 1.13 0.01 0.00 -2.85 -1.26 -0.00 119.74 116.09 1i4j s LYS 4 Ca 0.03 -1.14 -0.12 0.00 -1.00 0.00 0.00 55.97 53.74 1i4j s LYS 4 Cb -0.06 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1i4j s LYS 4 CO 0.00 -0.41 0.24 0.00 0.10 0.00 0.00 175.35 175.28 1i4j s ALA 5 N -3.95 -0.57 -0.01 0.59 0.00 -0.87 -4.74 121.76 112.20 1i4j s ALA 5 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1i4j s ALA 5 Cb 0.03 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1i4j s ALA 5 CO -0.01 -0.29 -0.03 0.96 0.00 0.00 0.00 175.76 176.38 1i4j s ILE 6 N -1.80 0.31 -0.17 0.00 -4.36 -1.26 -2.22 121.20 111.71 1i4j s ILE 6 Ca -0.11 -0.13 -0.01 0.00 -0.26 0.00 0.00 60.65 60.14 1i4j s ILE 6 Cb -0.04 -0.29 -0.01 0.00 1.25 0.00 0.00 42.46 43.37 1i4j s ILE 6 CO 0.01 0.11 -0.12 0.00 0.24 0.00 0.00 174.94 175.18 1i4j s ALA 7 N 0.14 2.61 0.11 2.27 0.00 -0.35 -4.98 121.76 121.57 1i4j s ALA 7 Ca -0.01 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.96 1i4j s ALA 7 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1i4j s ALA 7 CO -0.00 -0.06 0.04 1.03 0.00 0.00 0.00 175.76 176.77 1i4j s ARG 8 N 0.86 2.67 -1.50 0.00 1.81 -1.26 -0.67 118.95 120.87 1i4j s ARG 8 Ca -0.03 -0.85 -0.12 0.00 -1.72 0.00 0.00 55.73 53.01 1i4j s ARG 8 Cb -0.15 -2.58 0.07 0.00 -0.45 0.00 0.00 34.95 31.84 1i4j s ARG 8 CO -0.00 0.52 0.99 0.66 -0.68 0.00 0.00 175.30 176.80 1i4j n TYR 9 N 0.27 -2.35 -2.38 -0.53 4.01 -1.11 -4.94 117.16 110.14 1i4j n TYR 9 Ca -0.10 0.92 -0.42 0.00 -0.16 0.00 0.00 57.90 58.14 1i4j n TYR 9 Cb 0.53 -4.14 -0.03 0.00 -0.31 0.00 0.00 39.34 35.38 1i4j n TYR 9 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1i4j s VAL 10 N -3.33 3.80 -0.99 -0.72 1.01 -0.20 -4.80 120.40 115.16 1i4j s VAL 10 Ca 0.61 1.35 -0.08 0.00 0.00 0.00 0.00 61.98 63.86 1i4j s VAL 10 Cb -0.30 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 1i4j s VAL 10 CO 0.82 0.14 2.86 0.54 0.00 0.00 0.00 175.10 179.46 1i4j n ARG 11 N 3.47 2.78 -3.90 2.72 1.74 -1.26 -1.38 116.66 120.83 1i4j n ARG 11 Ca 0.08 -1.65 -0.11 0.00 -0.77 0.00 0.00 57.85 55.40 1i4j n ARG 11 Cb 0.45 -2.47 -0.12 0.00 -1.02 0.00 0.00 32.46 29.30 1i4j n ARG 11 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1i4j s ILE 12 N 2.16 0.05 0.18 0.55 1.09 -1.24 -4.99 121.20 119.00 1i4j s ILE 12 Ca 0.60 -0.38 -0.32 0.00 -1.10 0.00 0.00 60.65 59.45 1i4j s ILE 12 Cb 0.19 -0.19 -0.10 0.00 -1.06 0.00 0.00 42.46 41.30 1i4j s ILE 12 CO -0.04 -0.21 1.59 -0.55 -0.10 0.00 0.00 174.94 175.63 1i4j s SER 13 N -0.63 6.55 0.38 3.58 0.15 -1.25 -3.08 113.70 119.40 1i4j s SER 13 Ca -0.07 2.67 0.12 0.00 0.70 0.00 0.00 55.95 59.37 1i4j s SER 13 Cb -0.04 -2.60 0.92 0.00 -1.71 0.00 0.00 66.02 62.59 1i4j s SER 13 CO -0.00 -0.85 1.87 -0.65 1.20 0.00 0.00 173.24 174.82 1i4j h PRO 14 N 6.66 0.56 -0.78 5.44 0.11 -1.87 -0.10 132.00 142.01 1i4j h PRO 14 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1i4j h PRO 14 Cb 1.20 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1i4j h PRO 14 CO 0.91 0.37 0.41 -0.09 -0.21 0.00 0.00 178.00 179.39 1i4j h ARG 15 N 0.57 1.10 -0.27 1.05 1.12 -1.97 -0.29 114.38 115.69 1i4j h ARG 15 Ca 0.44 -0.14 -0.10 0.00 -1.11 0.00 0.00 59.98 59.07 1i4j h ARG 15 Cb 0.85 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1i4j h ARG 15 CO -0.19 0.83 -0.23 0.87 -3.11 0.00 0.00 179.97 178.14 1i4j h LYS 16 N 1.09 0.63 -0.43 0.20 1.57 -1.43 -3.18 116.57 115.02 1i4j h LYS 16 Ca 0.27 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1i4j h LYS 16 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1i4j h LYS 16 CO -0.04 0.92 -0.03 0.28 -0.57 0.00 0.00 179.45 180.01 1i4j h VAL 17 N 0.36 1.24 -0.99 0.50 2.07 -1.08 -2.82 116.25 115.53 1i4j h VAL 17 Ca 0.05 -1.00 0.11 0.00 0.82 0.00 0.00 66.70 66.68 1i4j h VAL 17 Cb 0.78 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 1i4j h VAL 17 CO 0.06 0.35 0.63 0.03 0.02 0.00 0.00 177.57 178.65 1i4j h ARG 18 N 0.67 0.97 -0.91 1.57 3.08 -1.03 -0.39 114.38 118.34 1i4j h ARG 18 Ca 0.13 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.19 1i4j h ARG 18 Cb 0.46 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1i4j h ARG 18 CO 0.02 0.64 0.57 -0.07 -1.07 0.00 0.00 179.97 180.06 1i4j h LEU 19 N 1.00 0.89 -0.05 3.04 3.38 -1.51 -2.80 115.31 119.26 1i4j h LEU 19 Ca 0.48 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.37 1i4j h LEU 19 Cb 0.44 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1i4j h LEU 19 CO -0.24 0.56 -0.36 0.58 0.09 0.00 0.00 178.44 179.07 1i4j h VAL 20 N 1.02 1.44 0.00 1.22 2.07 -1.15 -3.31 116.25 117.54 1i4j h VAL 20 Ca 0.40 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1i4j h VAL 20 Cb 0.21 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1i4j h VAL 20 CO -0.19 0.52 -0.16 -0.37 0.02 0.00 0.00 177.57 177.39 1i4j h VAL 21 N -0.20 0.85 0.00 2.57 -1.51 -1.27 -1.69 116.25 115.01 1i4j h VAL 21 Ca -0.03 -0.61 -0.02 0.00 -1.23 0.00 0.00 66.70 64.81 1i4j h VAL 21 Cb 1.03 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1i4j h VAL 21 CO 0.07 0.16 -0.08 0.44 -1.23 0.00 0.00 177.57 176.93 1i4j h ASP 22 N 0.00 0.00 0.55 4.19 3.32 -1.59 -2.59 116.42 120.31 1i4j h ASP 22 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1i4j h ASP 22 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1i4j h ASP 22 CO 0.02 0.08 -0.63 -0.07 -1.72 0.00 0.00 179.24 176.92 1i4j h LEU 23 N 0.00 0.08 0.00 1.55 3.38 -1.41 -3.33 115.31 115.59 1i4j h LEU 23 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1i4j h LEU 23 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1i4j h LEU 23 CO 0.01 0.69 -1.29 2.30 0.09 0.00 0.00 178.44 180.25 1i4j n ILE 24 N -3.81 0.00 -1.70 1.22 -5.35 -1.00 -4.88 119.36 103.84 1i4j n ILE 24 Ca -0.02 -0.15 -0.43 0.00 -0.27 0.00 0.00 62.75 61.89 1i4j n ILE 24 Cb 0.63 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1i4j n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1i4j n ARG 25 N -1.72 2.57 -0.35 6.28 0.63 -1.04 -1.76 116.66 121.27 1i4j n ARG 25 Ca 0.02 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 1i4j n ARG 25 Cb 0.40 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.56 1i4j n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i4j n GLY 26 N 3.80 1.70 3.88 5.14 0.00 0.56 -5.02 105.19 115.25 1i4j n GLY 26 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1i4j n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4j s LYS 27 N -0.21 3.74 0.87 1.61 -0.14 -0.72 -4.76 119.74 120.12 1i4j s LYS 27 Ca 0.00 0.31 -0.11 0.00 -1.36 0.00 0.00 55.97 54.81 1i4j s LYS 27 Cb 0.00 -2.49 0.12 0.00 -1.68 0.00 0.00 37.83 33.77 1i4j s LYS 27 CO 0.00 0.07 1.11 -1.12 -0.76 0.00 0.00 175.35 174.65 1i4j s SER 28 N -3.09 3.54 0.17 2.83 0.01 -1.26 -1.43 113.70 114.47 1i4j s SER 28 Ca 0.49 1.87 -0.14 0.00 1.31 0.00 0.00 55.95 59.48 1i4j s SER 28 Cb -0.10 -2.46 0.09 0.00 0.21 0.00 0.00 66.02 63.75 1i4j s SER 28 CO 0.30 -2.66 1.81 0.25 0.41 0.00 0.00 173.24 173.35 1i4j h LEU 29 N -1.56 0.49 -0.28 2.44 5.85 -1.51 0.41 115.31 121.15 1i4j h LEU 29 Ca -0.46 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1i4j h LEU 29 Cb 1.26 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1i4j h LEU 29 CO 0.48 0.35 0.10 -0.08 -0.34 0.00 0.00 178.44 178.95 1i4j h GLU 30 N 0.60 0.22 -0.64 1.25 4.81 -1.87 -1.67 114.58 117.28 1i4j h GLU 30 Ca 0.20 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1i4j h GLU 30 Cb 0.01 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1i4j h GLU 30 CO -0.09 0.14 0.07 0.93 -0.73 0.00 0.00 179.01 179.33 1i4j h GLU 31 N 0.22 1.08 -0.54 1.92 5.08 -1.82 -2.63 114.58 117.88 1i4j h GLU 31 Ca 0.12 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1i4j h GLU 31 Cb 0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1i4j h GLU 31 CO -0.12 1.01 0.36 0.00 -1.00 0.00 0.00 179.01 179.25 1i4j h ALA 32 N 1.06 0.69 -0.49 3.43 0.00 -0.60 -1.03 119.26 122.32 1i4j h ALA 32 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1i4j h ALA 32 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1i4j h ALA 32 CO 0.02 0.13 0.28 0.00 0.00 0.00 0.00 179.25 179.68 1i4j h ARG 33 N 0.74 0.54 -0.51 0.00 3.08 -1.19 -1.40 114.38 115.65 1i4j h ARG 33 Ca 0.20 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1i4j h ARG 33 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1i4j h ARG 33 CO -0.04 0.36 0.24 -0.91 -1.07 0.00 0.00 179.97 178.54 1i4j h ASN 34 N 0.56 0.68 -0.45 7.04 -0.26 -1.12 -1.88 115.58 120.16 1i4j h ASN 34 Ca 0.20 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1i4j h ASN 34 Cb 0.04 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1i4j h ASN 34 CO -0.10 0.63 0.28 0.40 -1.06 0.00 0.00 177.43 177.58 1i4j h ILE 35 N 0.69 1.14 0.00 2.81 1.08 -0.84 -2.35 117.51 120.04 1i4j h ILE 35 Ca 0.18 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 1i4j h ILE 35 Cb 0.14 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1i4j h ILE 35 CO -0.02 0.14 -0.31 -0.07 -0.69 0.00 0.00 178.15 177.20 1i4j h LEU 36 N 0.60 0.00 -0.45 1.44 3.38 -1.08 -2.14 115.31 117.06 1i4j h LEU 36 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1i4j h LEU 36 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1i4j h LEU 36 CO -0.03 0.31 -0.77 0.03 0.09 0.00 0.00 178.44 178.07 1i4j h ARG 37 N 0.00 0.13 -0.10 1.13 2.47 -0.96 -3.29 114.38 113.76 1i4j h ARG 37 Ca -0.00 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1i4j h ARG 37 Cb 0.61 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1i4j h ARG 37 CO 0.04 0.83 0.00 0.66 0.56 0.00 0.00 179.97 182.06 1i4j n TYR 38 N -3.70 0.09 -3.28 3.04 4.01 -0.92 -4.89 117.16 111.51 1i4j n TYR 38 Ca -0.02 -0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.36 1i4j n TYR 38 Cb 0.73 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.72 1i4j n TYR 38 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1i4j s THR 39 N -1.85 4.91 -0.40 -0.72 -1.32 -0.83 -4.98 115.64 110.46 1i4j s THR 39 Ca 0.29 0.43 0.14 0.00 -1.21 0.00 0.00 61.69 61.33 1i4j s THR 39 Cb 0.20 -3.67 0.39 0.00 -1.51 0.00 0.00 72.50 67.91 1i4j s THR 39 CO 0.29 -0.22 1.30 0.59 -2.21 0.00 0.00 174.62 174.38 1i4j n ASN 40 N -0.56 3.25 -4.75 8.08 4.13 -1.26 -4.97 115.26 119.18 1i4j n ASN 40 Ca 0.00 -2.61 -0.40 0.00 1.68 0.00 0.00 54.58 53.25 1i4j n ASN 40 Cb 0.53 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 38.34 1i4j n ASN 40 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1i4j s LYS 41 N -2.09 4.64 0.19 3.52 1.02 -1.26 -4.97 119.74 120.78 1i4j s LYS 41 Ca 0.31 1.77 -0.32 0.00 0.02 0.00 0.00 55.97 57.75 1i4j s LYS 41 Cb 0.24 -3.22 -0.11 0.00 -0.52 0.00 0.00 37.83 34.22 1i4j s LYS 41 CO 0.10 0.19 1.61 1.03 -0.92 0.00 0.00 175.35 177.35 1i4j s ARG 42 N -1.13 4.19 0.00 1.68 3.00 -1.26 -2.23 118.95 123.20 1i4j s ARG 42 Ca 0.46 2.44 0.00 0.00 0.00 0.00 0.00 55.73 58.62 1i4j s ARG 42 Cb -0.31 -3.12 0.00 0.00 0.00 0.00 0.00 34.95 31.52 1i4j s ARG 42 CO 0.39 -0.64 0.00 0.41 0.00 0.00 0.00 175.30 175.46 1i4j n GLY 43 N 3.68 2.35 0.26 -3.53 0.00 -1.26 -4.66 105.19 102.04 1i4j n GLY 43 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1i4j n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4j h ALA 44 N 0.00 0.90 -0.64 4.61 0.00 -1.81 -1.92 119.26 120.39 1i4j h ALA 44 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1i4j h ALA 44 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1i4j h ALA 44 CO 0.00 0.00 0.38 -0.92 0.00 0.00 0.00 179.25 178.71 1i4j h TYR 45 N 0.64 0.71 -0.24 0.00 3.20 -1.89 0.11 116.97 119.50 1i4j h TYR 45 Ca 0.31 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 1i4j h TYR 45 Cb 0.24 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1i4j h TYR 45 CO -0.09 0.38 -0.40 0.74 -1.64 0.00 0.00 178.16 177.15 1i4j h PHE 46 N 0.73 0.66 -0.18 -3.82 0.04 -1.85 -1.31 116.94 111.21 1i4j h PHE 46 Ca 0.27 -0.19 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 1i4j h PHE 46 Cb 0.08 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1i4j h PHE 46 CO -0.06 0.87 -0.55 0.28 -0.60 0.00 0.00 178.31 178.25 1i4j h VAL 47 N 0.46 1.32 -0.40 -0.55 2.07 -0.95 -2.50 116.25 115.70 1i4j h VAL 47 Ca 0.04 -1.80 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1i4j h VAL 47 Cb 0.90 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1i4j h VAL 47 CO 0.08 0.56 -0.05 0.00 0.02 0.00 0.00 177.57 178.17 1i4j h ALA 48 N 0.99 1.17 -0.50 1.67 0.00 -0.55 -1.16 119.26 120.87 1i4j h ALA 48 Ca 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1i4j h ALA 48 Cb 1.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1i4j h ALA 48 CO 0.10 0.53 0.12 -0.22 0.00 0.00 0.00 179.25 179.79 1i4j h LYS 49 N 0.62 0.81 -0.28 0.00 3.64 -0.94 -1.28 116.57 119.14 1i4j h LYS 49 Ca 0.12 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1i4j h LYS 49 Cb 0.46 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1i4j h LYS 49 CO 0.02 0.78 -0.33 0.28 -2.27 0.00 0.00 179.45 177.93 1i4j h VAL 50 N 0.69 1.29 -0.67 2.00 2.07 -1.15 -2.27 116.25 118.21 1i4j h VAL 50 Ca 0.16 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1i4j h VAL 50 Cb 0.34 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1i4j h VAL 50 CO 0.00 0.46 0.36 0.25 0.02 0.00 0.00 177.57 178.66 1i4j h LEU 51 N 0.50 0.84 -1.13 2.57 5.85 -0.96 -0.83 115.31 122.15 1i4j h LEU 51 Ca 0.06 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1i4j h LEU 51 Cb 0.81 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1i4j h LEU 51 CO 0.07 0.70 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.18 1i4j h GLU 52 N 0.92 0.13 -0.30 1.25 4.39 -1.03 -1.34 114.58 118.60 1i4j h GLU 52 Ca 0.23 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.71 1i4j h GLU 52 Cb 0.06 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1i4j h GLU 52 CO -0.04 0.48 -0.50 0.77 -1.16 0.00 0.00 179.01 178.56 1i4j h SER 53 N 0.11 0.93 -0.58 1.42 0.02 -0.85 -2.00 113.55 112.60 1i4j h SER 53 Ca 0.01 -0.48 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 1i4j h SER 53 Cb 0.70 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1i4j h SER 53 CO 0.05 1.26 0.01 0.00 -1.14 0.00 0.00 176.83 177.02 1i4j h ALA 54 N 0.76 0.89 -0.41 3.77 0.00 -0.86 -1.22 119.26 122.19 1i4j h ALA 54 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1i4j h ALA 54 Cb 1.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1i4j h ALA 54 CO 0.11 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.13 1i4j h ALA 55 N 1.05 0.54 -0.98 0.00 0.00 -1.17 -0.92 119.26 117.78 1i4j h ALA 55 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i4j h ALA 55 Cb 0.53 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1i4j h ALA 55 CO 0.03 0.21 0.64 0.00 0.00 0.00 0.00 179.25 180.12 1i4j h ALA 56 N 0.96 1.29 -0.39 0.00 0.00 -1.14 -0.59 119.26 119.39 1i4j h ALA 56 Ca 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1i4j h ALA 56 Cb 0.30 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1i4j h ALA 56 CO -0.00 0.65 -0.05 -0.91 0.00 0.00 0.00 179.25 178.95 1i4j h ASN 57 N 1.33 0.62 -0.30 0.00 -0.26 -0.89 0.17 115.58 116.25 1i4j h ASN 57 Ca 0.36 -0.15 -0.07 0.00 -0.56 0.00 0.00 56.30 55.87 1i4j h ASN 57 Cb -0.14 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1i4j h ASN 57 CO -0.08 0.72 -0.10 0.00 -1.06 0.00 0.00 177.43 176.91 1i4j h ALA 58 N 1.35 0.42 -0.20 -0.83 0.00 -0.26 0.89 119.26 120.63 1i4j h ALA 58 Ca 0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1i4j h ALA 58 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1i4j h ALA 58 CO 0.02 0.27 -0.63 0.28 0.00 0.00 0.00 179.25 179.19 1i4j h VAL 59 N 0.36 1.30 0.17 0.00 2.07 -0.91 -1.18 116.25 118.05 1i4j h VAL 59 Ca 0.07 -1.87 -0.24 0.00 0.82 0.00 0.00 66.70 65.48 1i4j h VAL 59 Cb 0.61 1.82 0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1i4j h VAL 59 CO 0.04 0.59 -1.12 0.78 0.02 0.00 0.00 177.57 177.88 1i4j h ASN 60 N 0.52 0.55 0.25 0.57 2.35 -0.66 -2.86 115.58 116.29 1i4j h ASN 60 Ca -0.01 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 54.80 1i4j h ASN 60 Cb 1.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1i4j h ASN 60 CO 0.13 1.53 -0.12 0.78 -1.65 0.00 0.00 177.43 178.10 1i4j h ASN 61 N -0.22 -0.28 -0.68 5.81 2.35 -0.95 -3.38 115.58 118.24 1i4j h ASN 61 Ca -0.21 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1i4j h ASN 61 Cb 1.81 0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1i4j h ASN 61 CO 0.17 0.01 0.00 1.41 -1.65 0.00 0.00 177.43 177.37 1i4j n HIS 62 N -4.06 1.14 -2.68 1.19 8.25 -1.11 -4.94 115.22 113.01 1i4j n HIS 62 Ca -0.04 -0.55 -0.15 0.00 -0.26 0.00 0.00 57.72 56.72 1i4j n HIS 62 Cb 0.13 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 1i4j n HIS 62 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1i4j n ASP 63 N 1.37 -3.87 -4.68 0.41 10.43 -1.01 -4.92 116.55 114.28 1i4j n ASP 63 Ca 0.24 0.05 -0.30 0.00 2.57 0.00 0.00 54.79 57.35 1i4j n ASP 63 Cb 0.72 -3.26 0.16 0.00 1.84 0.00 0.00 41.12 40.57 1i4j n ASP 63 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1i4j s ALA 64 N -2.69 1.33 -0.24 2.24 0.00 -0.48 -4.92 121.76 117.00 1i4j s ALA 64 Ca 0.10 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.11 1i4j s ALA 64 Cb -0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1i4j s ALA 64 CO 0.13 -2.60 0.29 -0.51 0.00 0.00 0.00 175.76 173.06 1i4j s LEU 65 N -6.44 4.10 0.53 0.00 1.43 -1.26 -4.36 118.68 112.68 1i4j s LEU 65 Ca 0.65 0.27 0.21 0.00 -1.03 0.00 0.00 54.13 54.23 1i4j s LEU 65 Cb -0.20 -2.31 1.36 0.00 0.03 0.00 0.00 46.19 45.07 1i4j s LEU 65 CO 0.58 -0.04 2.10 -0.33 0.23 0.00 0.00 176.35 178.89 1i4j h GLU 66 N 7.68 0.00 0.00 1.70 5.08 -1.95 -1.07 114.58 126.02 1i4j h GLU 66 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1i4j h GLU 66 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1i4j h GLU 66 CO 0.66 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.27 1i4j n ASP 67 N -4.41 0.00 -0.00 1.42 5.68 -1.26 -2.90 116.55 115.09 1i4j n ASP 67 Ca 0.02 0.28 0.08 0.00 -0.50 0.00 0.00 54.79 54.67 1i4j n ASP 67 Cb 0.28 -0.43 -0.10 0.00 -1.14 0.00 0.00 41.12 39.73 1i4j n ASP 67 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i4j n ARG 68 N -1.43 1.17 -2.49 0.11 5.12 -0.43 -4.99 116.66 113.74 1i4j n ARG 68 Ca 0.09 -0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.63 1i4j n ARG 68 Cb 0.29 -1.33 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 1i4j n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1i4j s LEU 69 N -2.84 4.28 0.05 0.55 1.43 -1.09 -1.01 118.68 120.05 1i4j s LEU 69 Ca 0.07 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.22 1i4j s LEU 69 Cb 0.13 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1i4j s LEU 69 CO 0.72 -0.41 0.21 -0.72 0.23 0.00 0.00 176.35 176.38 1i4j s TYR 70 N -1.47 0.06 -0.60 0.29 1.13 0.16 -1.32 117.35 115.60 1i4j s TYR 70 Ca 0.54 -0.32 -0.25 0.00 -1.41 0.00 0.00 57.07 55.62 1i4j s TYR 70 Cb -0.26 -0.02 0.04 0.00 -1.10 0.00 0.00 41.96 40.62 1i4j s TYR 70 CO 0.33 -0.47 1.06 0.08 -2.51 0.00 0.00 175.55 174.04 1i4j s VAL 71 N -2.93 4.18 0.12 -3.49 1.01 -0.51 -1.09 120.40 117.69 1i4j s VAL 71 Ca -0.02 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1i4j s VAL 71 Cb 0.01 -4.66 -0.19 0.00 0.00 0.00 0.00 36.38 31.53 1i4j s VAL 71 CO -0.06 -1.32 1.29 0.11 0.00 0.00 0.00 175.10 175.12 1i4j h LYS 72 N 9.51 0.38 -2.78 2.72 1.57 -1.35 0.16 116.57 126.77 1i4j h LYS 72 Ca -0.26 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.00 1i4j h LYS 72 Cb 1.06 0.13 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 1i4j h LYS 72 CO 1.15 1.11 -0.11 0.00 -0.57 0.00 0.00 179.45 181.03 1i4j s ALA 73 N -3.18 -1.09 -0.26 3.86 0.00 -1.10 -4.70 121.76 115.29 1i4j s ALA 73 Ca -0.05 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 1i4j s ALA 73 Cb 0.09 0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.45 1i4j s ALA 73 CO 0.87 -0.35 0.56 0.00 0.00 0.00 0.00 175.76 176.84 1i4j s ALA 74 N -1.64 -1.67 0.23 0.00 0.00 -1.26 -0.53 121.76 116.89 1i4j s ALA 74 Ca -0.10 2.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.77 1i4j s ALA 74 Cb -0.03 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 1i4j s ALA 74 CO 0.04 -0.76 0.43 1.52 0.00 0.00 0.00 175.76 176.99 1i4j s TYR 75 N 2.54 0.38 -0.02 0.00 1.13 -0.53 -4.86 117.35 116.00 1i4j s TYR 75 Ca -0.05 -0.73 0.04 0.00 -1.41 0.00 0.00 57.07 54.92 1i4j s TYR 75 Cb -0.11 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.86 1i4j s TYR 75 CO -0.17 -0.92 -0.15 0.54 -2.51 0.00 0.00 175.55 172.34 1i4j s VAL 76 N -4.01 1.22 0.02 -3.49 0.11 -1.26 -1.54 120.40 111.44 1i4j s VAL 76 Ca 0.22 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1i4j s VAL 76 Cb 0.00 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1i4j s VAL 76 CO 0.07 0.35 -0.09 -1.81 -3.33 0.00 0.00 175.10 170.29 1i4j s ASP 77 N -0.17 4.44 0.20 3.54 1.01 0.47 -4.94 116.67 121.22 1i4j s ASP 77 Ca 0.02 -0.22 -0.30 0.00 0.71 0.00 0.00 52.55 52.76 1i4j s ASP 77 Cb -0.08 -0.96 -0.08 0.00 1.01 0.00 0.00 42.92 42.81 1i4j s ASP 77 CO 0.00 0.27 1.13 -0.70 0.21 0.00 0.00 175.17 176.08 1i4j s GLU 78 N -1.49 4.57 0.43 8.23 2.12 -1.26 -0.54 118.70 130.75 1i4j s GLU 78 Ca 0.17 1.77 0.05 0.00 0.36 0.00 0.00 54.97 57.33 1i4j s GLU 78 Cb -0.11 -3.25 0.05 0.00 0.26 0.00 0.00 34.13 31.08 1i4j s GLU 78 CO 0.08 0.05 0.45 0.41 -0.54 0.00 0.00 175.26 175.71 1i4j n GLY 79 N 1.94 2.42 3.83 -1.50 0.00 0.33 -4.81 105.19 107.40 1i4j n GLY 79 Ca 0.02 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 1i4j n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i4j s PRO 80 N -3.85 2.72 0.43 1.61 0.04 -1.26 -4.37 135.00 130.31 1i4j s PRO 80 Ca 0.34 0.78 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 1i4j s PRO 80 Cb -0.03 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1i4j s PRO 80 CO 0.22 -1.21 0.99 0.00 0.04 0.00 0.00 177.00 177.03 1i4j s ALA 81 N -3.13 3.03 0.06 8.56 0.00 -1.26 -3.09 121.76 125.92 1i4j s ALA 81 Ca 0.59 0.51 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1i4j s ALA 81 Cb -0.13 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1i4j s ALA 81 CO 0.54 -0.03 -0.05 0.14 0.00 0.00 0.00 175.76 176.36 1i4j s VAL 85 N -1.98 0.44 -0.36 0.00 -7.23 0.05 -4.97 120.40 106.35 1i4j s VAL 85 Ca 0.61 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1i4j s VAL 85 Cb -0.14 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.73 1i4j s VAL 85 CO 0.18 -0.70 0.19 -0.76 -0.31 0.00 0.00 175.10 173.70 1i4j s LEU 86 N -2.33 4.57 1.47 1.32 1.43 -1.26 -1.81 118.68 122.07 1i4j s LEU 86 Ca -0.00 -0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 51.97 1i4j s LEU 86 Cb -0.01 -2.02 0.38 0.00 0.03 0.00 0.00 46.19 44.57 1i4j s LEU 86 CO -0.04 -0.34 0.91 -2.84 0.23 0.00 0.00 176.35 174.27 1i4j s PRO 87 N 1.56 -3.31 -1.95 1.29 0.02 -1.26 -3.47 135.00 127.88 1i4j s PRO 87 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 61.00 61.11 1i4j s PRO 87 Cb -0.19 -1.34 0.00 0.00 0.02 0.00 0.00 34.50 33.00 1i4j s PRO 87 CO 0.06 -5.11 0.00 0.54 -0.33 0.00 0.00 177.00 172.17 1i4j n ARG 88 N -5.79 -1.47 0.00 5.54 1.74 -1.26 -4.62 116.66 110.80 1i4j n ARG 88 Ca 0.14 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 1i4j n ARG 88 Cb 0.61 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 1i4j n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i4j n ALA 89 N 0.69 0.00 -3.78 7.54 0.00 -1.23 -3.03 120.51 120.69 1i4j n ALA 89 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1i4j n ALA 89 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 1i4j n ALA 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i4j s ARG 90 N 0.00 1.29 -0.00 0.00 0.52 -1.26 -4.87 118.95 114.63 1i4j s ARG 90 Ca 0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 1i4j s ARG 90 Cb 0.00 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.98 1i4j s ARG 90 CO 0.00 -1.09 0.64 0.41 0.02 0.00 0.00 175.30 175.27 1i4j n GLY 91 N 3.82 -1.59 3.66 -3.53 0.00 -1.17 -5.05 105.19 101.33 1i4j n GLY 91 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1i4j n GLY 91 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i4j n ARG 92 N -0.10 -0.79 0.00 1.61 0.00 -1.26 -4.91 116.66 111.21 1i4j n ARG 92 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 57.85 57.54 1i4j n ARG 92 Cb 0.48 0.08 0.00 0.00 -0.00 0.00 0.00 32.46 33.03 1i4j n ARG 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1i4j n ALA 93 N -1.73 0.00 -3.18 2.89 0.00 -1.26 -5.05 120.51 112.17 1i4j n ALA 93 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1i4j n ALA 93 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 1i4j n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1i4j n ASP 94 N 0.00 0.87 -4.57 0.00 9.92 -1.26 -5.11 116.55 116.39 1i4j n ASP 94 Ca 0.00 -3.01 -0.27 0.00 -0.53 0.00 0.00 54.79 50.98 1i4j n ASP 94 Cb 0.00 -0.62 -0.09 0.00 -0.64 0.00 0.00 41.12 39.77 1i4j n ASP 94 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1i4j s ILE 95 N -2.45 3.21 0.66 0.53 -1.09 -1.26 -5.14 121.20 115.66 1i4j s ILE 95 Ca 0.40 -1.65 -0.05 0.00 -2.23 0.00 0.00 60.65 57.11 1i4j s ILE 95 Cb 0.35 -2.59 0.04 0.00 -1.58 0.00 0.00 42.46 38.68 1i4j s ILE 95 CO -0.08 -0.11 0.96 -0.63 -1.23 0.00 0.00 174.94 173.84 1i4j s ILE 96 N -1.71 2.69 0.05 2.92 -1.09 -1.26 -5.03 121.20 117.77 1i4j s ILE 96 Ca 0.25 -0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 58.29 1i4j s ILE 96 Cb -0.09 -3.12 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1i4j s ILE 96 CO 0.15 -0.12 0.45 -1.59 -1.23 0.00 0.00 174.94 172.60 1i4j s LYS 97 N -5.12 3.91 0.12 2.79 -2.85 -1.26 -4.55 119.74 112.78 1i4j s LYS 97 Ca 0.58 0.39 0.11 0.00 -1.00 0.00 0.00 55.97 56.05 1i4j s LYS 97 Cb -0.11 -3.11 -0.04 0.00 -2.06 0.00 0.00 37.83 32.51 1i4j s LYS 97 CO 0.44 0.61 -0.27 -1.59 0.10 0.00 0.00 175.35 174.65 1i4j s LYS 98 N -1.46 1.44 0.42 1.78 -2.85 -0.75 -4.94 119.74 113.38 1i4j s LYS 98 Ca 0.29 -1.31 -0.09 0.00 -1.00 0.00 0.00 55.97 53.85 1i4j s LYS 98 Cb -0.16 -1.89 -0.06 0.00 -2.06 0.00 0.00 37.83 33.66 1i4j s LYS 98 CO 0.16 0.45 0.78 1.03 0.10 0.00 0.00 175.35 177.87 1i4j s ARG 99 N -1.95 3.73 0.31 1.78 0.52 -1.26 -0.77 118.95 121.30 1i4j s ARG 99 Ca 0.13 0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.85 1i4j s ARG 99 Cb -0.10 -2.38 -0.06 0.00 0.52 0.00 0.00 34.95 32.93 1i4j s ARG 99 CO 0.05 -0.08 -0.09 0.95 0.02 0.00 0.00 175.30 176.16 1i4j s THR 100 N -2.46 1.98 0.11 0.02 -4.23 -1.18 -3.64 115.64 106.24 1i4j s THR 100 Ca 0.50 -2.18 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1i4j s THR 100 Cb -0.10 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1i4j s THR 100 CO 0.34 -0.27 -0.12 -0.44 -0.54 0.00 0.00 174.62 173.59 1i4j s SER 101 N -3.52 1.76 -0.16 3.99 0.01 -0.48 -0.51 113.70 114.80 1i4j s SER 101 Ca 0.31 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1i4j s SER 101 Cb 0.02 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1i4j s SER 101 CO 0.14 -0.19 -0.19 -1.00 0.41 0.00 0.00 173.24 172.42 1i4j s HIS 102 N -2.22 2.74 -0.13 2.43 3.76 0.29 -1.03 115.29 121.13 1i4j s HIS 102 Ca 0.07 -1.28 -0.01 0.00 -0.15 0.00 0.00 55.06 53.69 1i4j s HIS 102 Cb -0.04 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 1i4j s HIS 102 CO 0.02 -0.60 -0.08 0.42 -0.85 0.00 0.00 174.74 173.65 1i4j s ILE 103 N 0.93 3.50 -0.06 0.60 1.01 0.16 -0.40 121.20 126.94 1i4j s ILE 103 Ca -0.04 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1i4j s ILE 103 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1i4j s ILE 103 CO -0.03 0.52 -0.22 -0.89 0.00 0.00 0.00 174.94 174.32 1i4j s THR 104 N 0.15 1.83 -0.05 2.92 2.01 -0.59 -1.22 115.64 120.70 1i4j s THR 104 Ca -0.04 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1i4j s THR 104 Cb -0.14 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.81 1i4j s THR 104 CO 0.04 0.51 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1i4j s VAL 105 N 0.01 1.14 -0.12 3.82 1.01 -0.94 -1.45 120.40 123.87 1i4j s VAL 105 Ca -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1i4j s VAL 105 Cb -0.14 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1i4j s VAL 105 CO 0.04 0.35 -0.18 -0.63 0.00 0.00 0.00 175.10 174.67 1i4j s ILE 106 N 0.36 1.75 0.11 2.22 1.01 0.31 -2.04 121.20 124.93 1i4j s ILE 106 Ca -0.09 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1i4j s ILE 106 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1i4j s ILE 106 CO 0.02 0.49 -0.04 -0.76 0.00 0.00 0.00 174.94 174.66 1i4j s LEU 107 N 0.90 3.28 0.14 2.97 1.43 1.00 -0.89 118.68 127.51 1i4j s LEU 107 Ca -0.07 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1i4j s LEU 107 Cb -0.15 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1i4j s LEU 107 CO -0.02 0.16 0.21 -0.83 0.23 0.00 0.00 176.35 176.10 1i4j s GLY 108 N -2.40 0.54 0.06 -3.19 0.00 -0.25 -1.81 107.32 100.27 1i4j s GLY 108 Ca 0.25 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 44.04 1i4j s GLY 108 CO 0.17 -0.97 -0.15 -1.83 0.00 0.00 0.00 173.10 170.33 1i4j s GLU 109 N -3.97 2.10 -0.14 2.90 1.03 -1.26 0.36 118.70 119.72 1i4j s GLU 109 Ca 0.17 -0.99 -0.29 0.00 0.03 0.00 0.00 54.97 53.88 1i4j s GLU 109 Cb 0.05 -2.25 -0.04 0.00 -0.80 0.00 0.00 34.13 31.09 1i4j s GLU 109 CO -0.02 0.53 1.63 0.15 -1.33 0.00 0.00 175.26 176.22 1i4j s LYS 110 N -1.74 3.97 0.10 -4.83 3.01 -0.18 -4.40 119.74 115.68 1i4j s LYS 110 Ca 0.17 1.90 0.00 0.00 -1.01 0.00 0.00 55.97 57.03 1i4j s LYS 110 Cb -0.11 -4.01 0.00 0.00 -1.01 0.00 0.00 37.83 32.71 1i4j s LYS 110 CO 0.08 -1.09 0.00 0.72 0.51 0.00 0.00 175.35 175.58 1i4j n HIS 111 N 7.86 -3.49 -0.21 3.18 8.25 -1.26 -4.99 115.22 124.55 1i4j n HIS 111 Ca 0.18 2.10 0.00 0.00 -0.26 0.00 0.00 57.72 59.74 1i4j n HIS 111 Cb 0.44 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.31 1i4j n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i4j n GLY 112 N 1.33 3.67 0.00 -1.41 0.00 -1.26 -5.11 105.19 102.41 1i4j n GLY 112 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1i4j n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60