#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ILE 2 N 0.00 0.00 0.00 3.17 -0.00 -0.90 -4.76 119.36 116.86 3i1p n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3i1p n ILE 2 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 39.64 39.28 3i1p n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1p n GLN 3 N -0.45 0.00 -1.66 0.38 10.64 -1.26 -4.78 117.38 120.25 3i1p n GLN 3 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 3i1p n GLN 3 Cb 0.00 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.42 3i1p n GLN 3 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3i1p n GLU 4 N -1.68 1.27 0.00 2.61 1.02 -1.26 -4.33 120.64 118.27 3i1p n GLU 4 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 3i1p n GLU 4 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 3i1p n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i1p n GLN 5 N -0.78 0.00 -1.44 3.49 1.13 -0.62 -4.97 117.38 114.19 3i1p n GLN 5 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 3i1p n GLN 5 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 3i1p n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i1p n THR 6 N 0.00 -7.06 -2.94 5.09 -1.04 -1.26 -2.31 114.28 104.76 3i1p n THR 6 Ca 0.00 1.44 -0.43 0.00 -2.04 0.00 0.00 64.05 63.02 3i1p n THR 6 Cb 0.00 -4.07 -0.05 0.00 -1.82 0.00 0.00 70.33 64.39 3i1p n THR 6 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3i1p s MET 7 N -1.61 3.61 0.14 -2.82 1.75 -1.26 -3.69 119.30 115.42 3i1p s MET 7 Ca 0.00 0.16 0.05 0.00 -1.25 0.00 0.00 55.69 54.65 3i1p s MET 7 Cb 0.00 -3.87 -0.04 0.00 2.84 0.00 0.00 34.83 33.76 3i1p s MET 7 CO 0.00 -0.99 0.10 -0.51 -0.65 0.00 0.00 175.02 172.97 3i1p s LEU 8 N 3.26 3.74 0.29 4.11 1.02 -0.98 -4.82 118.68 125.30 3i1p s LEU 8 Ca 0.32 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.34 3i1p s LEU 8 Cb -0.12 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 3i1p s LEU 8 CO 0.20 0.11 0.49 0.20 0.02 0.00 0.00 176.35 177.37 3i1p s ASN 9 N -2.83 6.35 -0.27 2.29 0.02 0.18 -2.37 114.94 118.32 3i1p s ASN 9 Ca 0.30 0.47 -0.14 0.00 -1.02 0.00 0.00 52.86 52.47 3i1p s ASN 9 Cb -0.11 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 39.08 3i1p s ASN 9 CO 0.22 -0.19 0.35 -0.69 0.02 0.00 0.00 177.10 176.82 3i1p s VAL 10 N -2.12 5.19 -2.05 1.60 1.01 -1.26 -0.30 120.40 122.48 3i1p s VAL 10 Ca 0.40 0.52 0.12 0.00 0.00 0.00 0.00 61.98 63.02 3i1p s VAL 10 Cb -0.10 -3.68 0.32 0.00 0.00 0.00 0.00 36.38 32.92 3i1p s VAL 10 CO 0.32 0.17 1.30 0.00 0.00 0.00 0.00 175.10 176.90 3i1p n ALA 11 N 5.29 2.46 -4.55 5.51 0.00 0.15 -4.86 120.51 124.53 3i1p n ALA 11 Ca -0.09 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.53 3i1p n ALA 11 Cb 0.51 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 3i1p n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1p n ASP 12 N 0.41 2.56 -4.91 0.00 5.75 -1.26 -2.05 116.55 117.05 3i1p n ASP 12 Ca 0.12 -2.90 -0.27 0.00 -0.01 0.00 0.00 54.79 51.73 3i1p n ASP 12 Cb 0.28 0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 40.84 3i1p n ASP 12 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i1p s ASN 13 N -3.32 6.39 -0.06 -1.12 6.03 -1.17 -4.83 114.94 116.85 3i1p s ASN 13 Ca 0.06 0.70 -0.05 0.00 -1.03 0.00 0.00 52.86 52.54 3i1p s ASN 13 Cb 0.00 -2.14 0.02 0.00 -3.03 0.00 0.00 41.25 36.10 3i1p s ASN 13 CO 0.04 -0.29 0.10 -0.24 -2.03 0.00 0.00 177.10 174.69 3i1p n SER 14 N -1.36 -5.96 0.00 3.54 2.88 -1.26 -4.52 113.62 106.94 3i1p n SER 14 Ca -0.02 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.20 3i1p n SER 14 Cb 0.55 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.75 3i1p n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1p n GLY 15 N 1.81 -0.98 6.55 0.46 0.00 -1.26 -4.73 105.19 107.05 3i1p n GLY 15 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i1p n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n ALA 16 N 0.00 0.00 -1.00 4.61 0.00 -1.26 -3.60 120.51 119.26 3i1p n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1p n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1p n ARG 17 N 0.00 3.33 0.00 0.00 0.63 -1.26 -4.22 116.66 115.14 3i1p n ARG 17 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1p n ARG 17 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i1p n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1p n ARG 18 N 0.00 0.00 -3.82 -0.14 1.74 -1.24 -4.18 116.66 109.02 3i1p n ARG 18 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3i1p n ARG 18 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 3i1p n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1p s VAL 19 N 0.00 0.12 -0.10 1.55 1.01 -1.00 -1.71 120.40 120.28 3i1p s VAL 19 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 3i1p s VAL 19 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3i1p s VAL 19 CO 0.00 0.17 -0.01 -0.32 0.00 0.00 0.00 175.10 174.94 3i1p s MET 20 N 1.50 3.09 0.36 2.72 0.00 -0.89 -2.31 119.30 123.78 3i1p s MET 20 Ca -0.03 -0.45 -0.27 0.00 0.00 0.00 0.00 55.69 54.95 3i1p s MET 20 Cb -0.13 -2.80 -0.09 0.00 0.00 0.00 0.00 34.83 31.82 3i1p s MET 20 CO -0.03 0.61 1.20 0.00 0.00 0.00 0.00 175.02 176.80 3i1p n ILE 22 N 0.43 0.00 -3.63 0.00 -5.35 -0.41 -1.59 119.36 108.81 3i1p n ILE 22 Ca 0.02 -0.18 -0.04 0.00 -0.27 0.00 0.00 62.75 62.28 3i1p n ILE 22 Cb 0.45 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 39.28 3i1p n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i1p s LYS 23 N -0.37 0.54 -1.14 6.28 2.47 -1.20 -4.94 119.74 121.39 3i1p s LYS 23 Ca 0.00 0.97 -0.14 0.00 -1.56 0.00 0.00 55.97 55.25 3i1p s LYS 23 Cb 0.00 0.17 0.18 0.00 -1.46 0.00 0.00 37.83 36.72 3i1p s LYS 23 CO 0.00 -0.12 1.31 0.08 0.16 0.00 0.00 175.35 176.78 3i1p s VAL 24 N 1.63 5.15 0.81 4.02 1.01 -1.26 -1.68 120.40 130.08 3i1p s VAL 24 Ca -0.09 -2.58 -0.11 0.00 0.00 0.00 0.00 61.98 59.20 3i1p s VAL 24 Cb -0.05 -4.83 0.08 0.00 0.00 0.00 0.00 36.38 31.58 3i1p s VAL 24 CO -0.18 -1.52 1.09 -1.48 0.00 0.00 0.00 175.10 173.02 3i1p s LEU 25 N 1.28 2.82 0.00 3.92 2.34 -1.25 -4.25 118.68 123.55 3i1p s LEU 25 Ca 0.38 1.75 0.00 0.00 0.06 0.00 0.00 54.13 56.33 3i1p s LEU 25 Cb -0.04 -4.37 0.00 0.00 -0.56 0.00 0.00 46.19 41.22 3i1p s LEU 25 CO -0.03 -2.24 0.00 0.61 -1.06 0.00 0.00 176.35 173.63 3i1p n GLY 26 N -1.12 1.76 3.38 -3.48 0.00 -1.26 -4.74 105.19 99.73 3i1p n GLY 26 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3i1p n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1p s GLY 27 N -2.10 -0.36 -0.79 -0.02 0.00 -1.26 -5.09 107.32 97.70 3i1p s GLY 27 Ca 0.00 1.25 -0.26 0.00 0.00 0.00 0.00 44.72 45.71 3i1p s GLY 27 CO 0.00 1.04 1.47 -0.56 0.00 0.00 0.00 173.10 175.05 3i1p s SER 28 N -0.05 6.01 0.00 1.64 0.01 -1.26 -3.20 113.70 116.85 3i1p s SER 28 Ca -0.03 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3i1p s SER 28 Cb -0.03 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3i1p s SER 28 CO 0.02 -1.93 0.00 1.57 0.41 0.00 0.00 173.24 173.31 3i1p n HIS 29 N 10.20 0.00 -0.27 2.43 -0.00 -1.26 -5.07 115.22 121.24 3i1p n HIS 29 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 3i1p n HIS 29 Cb 0.50 -1.11 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 3i1p n HIS 29 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3i1p n ARG 30 N -0.55 -0.02 0.00 1.57 1.74 -1.19 -5.08 116.66 113.12 3i1p n ARG 30 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1p n ARG 30 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 3i1p n ARG 30 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1p n ARG 31 N -0.77 0.00 -4.28 5.56 5.12 -1.26 -5.08 116.66 115.95 3i1p n ARG 31 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 3i1p n ARG 31 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 3i1p n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i1p s TYR 32 N -0.75 2.63 0.37 -1.55 2.02 -1.26 -4.19 117.35 114.62 3i1p s TYR 32 Ca 0.00 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.46 3i1p s TYR 32 Cb 0.00 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3i1p s TYR 32 CO 0.00 0.53 0.18 0.00 -1.57 0.00 0.00 175.55 174.69 3i1p s ALA 33 N -2.41 3.58 -0.30 3.71 0.00 -1.26 -4.80 121.76 120.28 3i1p s ALA 33 Ca 0.33 -1.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 3i1p s ALA 33 Cb -0.04 -0.67 0.17 0.00 0.00 0.00 0.00 23.12 22.58 3i1p s ALA 33 CO 0.20 -0.04 1.04 0.20 0.00 0.00 0.00 175.76 177.15 3i1p s GLY 34 N -3.89 -0.18 0.00 0.00 0.00 -1.26 -2.13 107.32 99.86 3i1p s GLY 34 Ca 0.40 3.04 0.00 0.00 0.00 0.00 0.00 44.72 48.16 3i1p s GLY 34 CO 0.23 3.41 0.00 3.33 0.00 0.00 0.00 173.10 180.07 3i1p n VAL 35 N 5.05 0.00 0.06 1.40 0.24 -1.26 -1.57 118.33 122.24 3i1p n VAL 35 Ca -0.08 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.26 3i1p n VAL 35 Cb 0.53 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 33.09 3i1p n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1p n GLY 36 N 0.00 -0.59 3.77 7.63 0.00 -1.26 -2.96 105.19 111.78 3i1p n GLY 36 Ca 0.00 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3i1p n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1p s ASP 37 N -3.27 7.11 0.05 1.61 1.01 -0.61 -4.86 116.67 117.70 3i1p s ASP 37 Ca -0.01 2.19 -0.05 0.00 0.71 0.00 0.00 52.55 55.39 3i1p s ASP 37 Cb 0.02 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 3i1p s ASP 37 CO 0.06 -0.25 0.28 -0.63 0.21 0.00 0.00 175.17 174.85 3i1p s ILE 38 N -1.32 5.29 -0.05 0.77 1.01 -1.26 -1.93 121.20 123.71 3i1p s ILE 38 Ca 0.49 0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.20 3i1p s ILE 38 Cb -0.29 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.61 3i1p s ILE 38 CO 0.37 0.26 -0.10 -0.63 0.00 0.00 0.00 174.94 174.84 3i1p s ILE 39 N -1.41 0.91 0.25 2.92 -1.09 0.25 -3.91 121.20 119.12 3i1p s ILE 39 Ca 0.32 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 58.08 3i1p s ILE 39 Cb -0.13 -0.84 -0.09 0.00 -1.58 0.00 0.00 42.46 39.81 3i1p s ILE 39 CO 0.20 0.30 1.20 -0.75 -1.23 0.00 0.00 174.94 174.66 3i1p s LYS 40 N 0.63 4.50 0.05 2.79 2.47 -0.67 0.51 119.74 130.01 3i1p s LYS 40 Ca -0.11 1.95 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 3i1p s LYS 40 Cb -0.14 -3.18 -0.03 0.00 -1.46 0.00 0.00 37.83 33.02 3i1p s LYS 40 CO 0.02 -0.03 -0.04 -1.50 0.16 0.00 0.00 175.35 173.96 3i1p s ILE 41 N -0.67 0.34 -0.22 5.43 1.10 -1.15 -1.28 121.20 124.75 3i1p s ILE 41 Ca 0.49 -1.50 0.02 0.00 -0.51 0.00 0.00 60.65 59.15 3i1p s ILE 41 Cb -0.35 -1.10 0.05 0.00 0.15 0.00 0.00 42.46 41.21 3i1p s ILE 41 CO 0.42 -0.76 -0.12 -0.89 -2.11 0.00 0.00 174.94 171.48 3i1p s THR 42 N -2.86 1.95 -0.20 4.00 2.01 0.14 -3.01 115.64 117.68 3i1p s THR 42 Ca -0.00 -1.29 -0.29 0.00 0.31 0.00 0.00 61.69 60.42 3i1p s THR 42 Cb 0.00 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 3i1p s THR 42 CO -0.05 0.14 2.00 -0.63 -0.69 0.00 0.00 174.62 175.38 3i1p s ILE 43 N 1.24 3.21 -0.46 1.82 -1.09 -0.61 -2.10 121.20 123.21 3i1p s ILE 43 Ca -0.04 0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.66 3i1p s ILE 43 Cb -0.17 -3.25 0.11 0.00 -1.58 0.00 0.00 42.46 37.57 3i1p s ILE 43 CO -0.08 -0.13 1.01 0.29 -1.23 0.00 0.00 174.94 174.80 3i1p n LYS 44 N 8.30 2.20 0.00 2.79 5.02 -0.69 -0.29 118.16 135.49 3i1p n LYS 44 Ca 0.25 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 3i1p n LYS 44 Cb 0.45 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3i1p n LYS 44 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i1p n GLU 45 N 0.03 0.00 -1.81 1.97 4.07 -0.86 -4.86 120.64 119.19 3i1p n GLU 45 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 3i1p n GLU 45 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 3i1p n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1p n ALA 46 N -2.26 -1.90 -2.75 4.31 0.00 -1.24 -4.70 120.51 111.97 3i1p n ALA 46 Ca 0.00 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 3i1p n ALA 46 Cb 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.98 3i1p n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i1p s ILE 47 N -2.61 5.39 0.10 0.00 1.01 -1.26 -4.78 121.20 119.05 3i1p s ILE 47 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 3i1p s ILE 47 Cb 0.00 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 39.08 3i1p s ILE 47 CO 0.00 0.48 0.63 -0.81 0.00 0.00 0.00 174.94 175.24 3i1p n PRO 48 N 3.07 -0.09 0.00 2.79 -0.04 -1.26 -3.59 135.00 135.88 3i1p n PRO 48 Ca -0.16 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3i1p n PRO 48 Cb 0.53 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 3i1p n PRO 48 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3i1p n ARG 49 N -4.61 0.00 0.00 0.54 1.85 -1.26 -5.03 116.66 108.15 3i1p n ARG 49 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3i1p n ARG 49 Cb 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.58 3i1p n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1p n GLY 50 N 3.78 -1.51 0.51 2.89 0.00 -1.24 -4.82 105.19 104.80 3i1p n GLY 50 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3i1p n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1p n LYS 51 N -0.72 0.32 -3.93 1.61 4.81 -1.26 -5.03 118.16 113.96 3i1p n LYS 51 Ca 0.00 0.14 -0.32 0.00 -0.87 0.00 0.00 58.31 57.25 3i1p n LYS 51 Cb 0.00 -1.05 -0.05 0.00 0.02 0.00 0.00 35.03 33.96 3i1p n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i1p s VAL 52 N -2.39 5.31 0.24 3.15 -7.23 -1.26 -5.10 120.40 113.12 3i1p s VAL 52 Ca -0.20 -0.32 0.10 0.00 -1.81 0.00 0.00 61.98 59.75 3i1p s VAL 52 Cb 0.06 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 3i1p s VAL 52 CO 0.26 0.23 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.62 3i1p s LYS 53 N -2.21 2.10 -0.03 4.82 -2.85 -1.26 -4.61 119.74 115.70 3i1p s LYS 53 Ca 0.31 -1.42 -0.30 0.00 -1.00 0.00 0.00 55.97 53.56 3i1p s LYS 53 Cb -0.13 -2.10 -0.09 0.00 -2.06 0.00 0.00 37.83 33.46 3i1p s LYS 53 CO 0.23 0.39 2.01 0.36 0.10 0.00 0.00 175.35 178.44 3i1p n LYS 54 N -0.49 2.62 0.00 1.78 0.00 -1.26 -2.13 118.16 118.68 3i1p n LYS 54 Ca -0.08 0.93 0.00 0.00 -0.00 0.00 0.00 58.31 59.16 3i1p n LYS 54 Cb 0.58 -3.00 0.00 0.00 -0.00 0.00 0.00 35.03 32.60 3i1p n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1p n GLY 55 N 4.78 1.77 3.76 2.58 0.00 0.60 -4.98 105.19 113.70 3i1p n GLY 55 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3i1p n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1p s ASP 56 N -1.37 5.81 -0.60 1.61 1.01 -0.91 -4.73 116.67 117.49 3i1p s ASP 56 Ca 0.00 2.73 0.06 0.00 0.71 0.00 0.00 52.55 56.04 3i1p s ASP 56 Cb 0.00 -2.64 0.21 0.00 1.01 0.00 0.00 42.92 41.51 3i1p s ASP 56 CO 0.00 -1.20 0.58 0.55 0.21 0.00 0.00 175.17 175.31 3i1p n VAL 57 N -0.43 1.24 -4.25 -1.27 3.14 -1.26 -1.58 118.33 113.92 3i1p n VAL 57 Ca 0.07 -4.71 -0.28 0.00 -2.96 0.00 0.00 64.34 56.46 3i1p n VAL 57 Cb 0.44 -2.05 -0.09 0.00 -1.06 0.00 0.00 33.84 31.08 3i1p n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i1p s LEU 58 N -1.65 3.08 0.81 6.55 1.43 -1.16 -4.78 118.68 122.96 3i1p s LEU 58 Ca 0.34 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3i1p s LEU 58 Cb 0.08 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.58 3i1p s LEU 58 CO -0.10 0.13 1.13 -1.59 0.23 0.00 0.00 176.35 176.14 3i1p s LYS 59 N -2.63 1.94 0.16 1.70 -2.85 -1.26 -2.92 119.74 113.88 3i1p s LYS 59 Ca 0.24 0.38 -0.16 0.00 -1.00 0.00 0.00 55.97 55.43 3i1p s LYS 59 Cb -0.10 -1.92 0.03 0.00 -2.06 0.00 0.00 37.83 33.78 3i1p s LYS 59 CO 0.15 -1.66 0.45 0.00 0.10 0.00 0.00 175.35 174.39 3i1p s ALA 60 N -3.33 -0.85 -0.13 0.59 0.00 0.18 -3.09 121.76 115.13 3i1p s ALA 60 Ca 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3i1p s ALA 60 Cb -0.13 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3i1p s ALA 60 CO 0.52 -0.73 -0.02 0.14 0.00 0.00 0.00 175.76 175.67 3i1p s VAL 61 N -3.85 4.04 0.64 0.00 -7.23 -0.08 0.86 120.40 114.78 3i1p s VAL 61 Ca 0.07 -0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 59.74 3i1p s VAL 61 Cb 0.01 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 3i1p s VAL 61 CO -0.06 0.53 1.28 -0.69 -0.31 0.00 0.00 175.10 175.85 3i1p s VAL 62 N -0.09 2.10 0.00 1.32 1.01 -0.81 -0.07 120.40 123.86 3i1p s VAL 62 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3i1p s VAL 62 Cb -0.13 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3i1p s VAL 62 CO 0.02 -0.01 0.00 0.52 0.00 0.00 0.00 175.10 175.63 3i1p n VAL 63 N -1.88 0.00 -4.44 2.92 0.31 -1.08 -4.35 118.33 109.82 3i1p n VAL 63 Ca 0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.26 3i1p n VAL 63 Cb 0.48 -0.53 -0.16 0.00 -0.91 0.00 0.00 33.84 32.72 3i1p n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1p s ARG 64 N -1.68 1.34 0.18 5.55 0.52 -1.21 -4.70 118.95 118.94 3i1p s ARG 64 Ca 0.00 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 54.99 3i1p s ARG 64 Cb 0.00 -1.17 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 3i1p s ARG 64 CO 0.00 0.01 -0.17 0.95 0.02 0.00 0.00 175.30 176.11 3i1p s THR 65 N 0.68 1.79 -1.48 0.02 -4.23 -1.24 -0.84 115.64 110.33 3i1p s THR 65 Ca -0.12 -2.04 0.30 0.00 -1.18 0.00 0.00 61.69 58.65 3i1p s THR 65 Cb -0.15 -1.92 0.53 0.00 1.34 0.00 0.00 72.50 72.31 3i1p s THR 65 CO 0.02 -0.43 2.04 1.17 -0.54 0.00 0.00 174.62 176.87 3i1p n LYS 66 N 0.01 0.48 -0.01 3.99 4.81 -1.22 -2.61 118.16 123.61 3i1p n LYS 66 Ca -0.11 -0.03 0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3i1p n LYS 66 Cb 0.58 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 34.01 3i1p n LYS 66 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i1p n LYS 67 N -1.23 0.57 0.00 1.64 4.81 -1.26 -4.74 118.16 117.95 3i1p n LYS 67 Ca 0.15 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3i1p n LYS 67 Cb 0.24 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.91 3i1p n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1p n GLY 68 N 1.62 0.62 3.25 3.14 0.00 -1.07 -4.80 105.19 107.95 3i1p n GLY 68 Ca -0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 3i1p n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1p s VAL 69 N 0.00 1.13 -0.15 1.61 1.01 -0.61 -4.91 120.40 118.48 3i1p s VAL 69 Ca 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.86 3i1p s VAL 69 Cb 0.00 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.57 3i1p s VAL 69 CO 0.00 -0.72 0.32 0.00 0.00 0.00 0.00 175.10 174.70 3i1p s ARG 70 N -3.76 0.25 0.00 2.72 1.70 -1.26 -0.98 118.95 117.62 3i1p s ARG 70 Ca 0.17 0.75 0.00 0.00 -0.47 0.00 0.00 55.73 56.19 3i1p s ARG 70 Cb 0.03 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 3i1p s ARG 70 CO 0.01 -0.22 0.00 -2.13 -1.08 0.00 0.00 175.30 171.88 3i1p n ARG 71 N 4.81 0.00 0.00 3.89 3.00 -1.24 -4.87 116.66 122.24 3i1p n ARG 71 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 3i1p n ARG 71 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 3i1p n ARG 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3i1p n PRO 72 N -0.18 0.00 0.28 -0.14 -0.05 -1.26 -4.29 135.00 129.36 3i1p n PRO 72 Ca 0.00 0.27 0.16 0.00 -0.05 0.00 0.00 63.50 63.88 3i1p n PRO 72 Cb 0.00 -0.74 0.81 0.00 -0.05 0.00 0.00 33.50 33.52 3i1p n PRO 72 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 175.50 175.83 3i1p h ASP 73 N 0.00 0.00 0.00 3.54 2.03 -2.06 -3.45 116.42 116.48 3i1p h ASP 73 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i1p h ASP 73 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3i1p h ASP 73 CO 0.00 0.07 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 3i1p n GLY 74 N -0.53 0.75 3.76 7.15 0.00 -1.26 -5.07 105.19 109.99 3i1p n GLY 74 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3i1p n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1p s SER 75 N -2.31 6.38 -0.00 1.61 1.04 -1.26 -4.83 113.70 114.33 3i1p s SER 75 Ca 0.00 2.96 0.05 0.00 0.48 0.00 0.00 55.95 59.44 3i1p s SER 75 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 3i1p s SER 75 CO 0.00 -0.89 -0.13 -0.69 0.98 0.00 0.00 173.24 172.51 3i1p s VAL 76 N -0.33 3.13 -0.23 5.02 1.01 -1.26 -3.65 120.40 124.10 3i1p s VAL 76 Ca 0.60 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3i1p s VAL 76 Cb -0.47 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3i1p s VAL 76 CO 0.52 0.45 -0.14 -0.63 0.00 0.00 0.00 175.10 175.30 3i1p s ILE 77 N -0.87 2.10 -0.05 2.22 1.01 -0.15 -5.01 121.20 120.45 3i1p s ILE 77 Ca 0.14 -1.38 0.05 0.00 0.00 0.00 0.00 60.65 59.46 3i1p s ILE 77 Cb -0.11 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3i1p s ILE 77 CO 0.04 0.17 -0.19 0.00 0.00 0.00 0.00 174.94 174.95 3i1p s ARG 78 N 1.18 2.01 0.12 2.79 1.70 -1.26 -1.57 118.95 123.92 3i1p s ARG 78 Ca -0.04 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 3i1p s ARG 78 Cb -0.18 -1.73 -0.04 0.00 -0.57 0.00 0.00 34.95 32.43 3i1p s ARG 78 CO -0.08 0.28 0.28 -0.06 -1.08 0.00 0.00 175.30 174.64 3i1p s PHE 79 N -0.02 3.50 -0.86 5.89 0.40 -1.08 -4.99 117.98 120.81 3i1p s PHE 79 Ca -0.04 0.25 0.27 0.00 -0.60 0.00 0.00 56.93 56.81 3i1p s PHE 79 Cb -0.12 -1.77 1.02 0.00 0.51 0.00 0.00 43.02 42.66 3i1p s PHE 79 CO 0.03 0.52 1.84 -0.25 0.70 0.00 0.00 175.22 178.06 3i1p n ASP 80 N -0.15 0.39 -4.63 1.36 10.43 -1.26 -3.69 116.55 119.01 3i1p n ASP 80 Ca -0.05 0.54 -0.24 0.00 2.57 0.00 0.00 54.79 57.60 3i1p n ASP 80 Cb 0.52 -0.64 -0.08 0.00 1.84 0.00 0.00 41.12 42.76 3i1p n ASP 80 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3i1p s GLY 81 N -3.28 2.04 -0.43 0.44 0.00 -1.26 -4.84 107.32 99.99 3i1p s GLY 81 Ca 0.12 -1.94 -0.10 0.00 0.00 0.00 0.00 44.72 42.80 3i1p s GLY 81 CO 0.55 -1.89 0.29 -1.31 0.00 0.00 0.00 173.10 170.74 3i1p s ASN 82 N -3.71 5.70 0.39 1.64 0.01 -1.26 -3.38 114.94 114.32 3i1p s ASN 82 Ca 0.34 -1.57 0.08 0.00 -0.71 0.00 0.00 52.86 51.00 3i1p s ASN 82 Cb -0.01 -2.01 -0.06 0.00 0.41 0.00 0.00 41.25 39.59 3i1p s ASN 82 CO 0.19 -0.58 0.08 0.00 -1.51 0.00 0.00 177.10 175.28 3i1p s ALA 83 N 1.43 3.35 0.12 0.60 0.00 -0.02 0.52 121.76 127.76 3i1p s ALA 83 Ca 0.04 -2.11 -0.15 0.00 0.00 0.00 0.00 51.96 49.73 3i1p s ALA 83 Cb -0.24 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.68 3i1p s ALA 83 CO 0.02 -0.08 0.37 0.00 0.00 0.00 0.00 175.76 176.07 3i1p s VAL 85 N -3.76 1.78 0.13 0.00 1.01 0.90 0.34 120.40 120.80 3i1p s VAL 85 Ca 0.03 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3i1p s VAL 85 Cb 0.02 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 3i1p s VAL 85 CO -0.12 0.30 1.31 -0.76 0.00 0.00 0.00 175.10 175.83 3i1p s LEU 86 N 1.36 4.39 0.39 3.92 1.43 -1.26 -0.90 118.68 128.01 3i1p s LEU 86 Ca 0.01 2.26 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 3i1p s LEU 86 Cb -0.15 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 3i1p s LEU 86 CO -0.10 -0.55 0.04 -1.48 0.23 0.00 0.00 176.35 174.49 3i1p s LEU 87 N 0.68 2.44 0.00 1.79 2.34 -1.18 -0.87 118.68 123.88 3i1p s LEU 87 Ca 0.60 -1.45 0.00 0.00 0.06 0.00 0.00 54.13 53.35 3i1p s LEU 87 Cb -0.35 -0.60 0.02 0.00 -0.56 0.00 0.00 46.19 44.70 3i1p s LEU 87 CO 0.32 -0.62 0.18 0.59 -1.06 0.00 0.00 176.35 175.76 3i1p n ASN 88 N -0.94 0.00 0.00 1.48 4.13 0.25 -4.57 115.26 115.61 3i1p n ASN 88 Ca -0.06 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 55.94 3i1p n ASN 88 Cb 0.67 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.91 3i1p n ASN 88 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3i1p n ASN 89 N -0.53 0.00 0.27 6.41 2.85 -1.26 -2.73 115.26 120.27 3i1p n ASN 89 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.61 3i1p n ASN 89 Cb 0.00 0.00 0.79 0.00 1.24 0.00 0.00 39.78 41.81 3i1p n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3i1p h ASN 90 N 0.00 0.00 -0.34 1.20 -1.07 -1.98 -3.09 115.58 110.30 3i1p h ASN 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3i1p h ASN 90 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3i1p h ASN 90 CO 0.00 0.08 0.00 -1.20 0.07 0.00 0.00 177.43 176.38 3i1p n SER 91 N -3.71 3.10 0.00 6.14 7.64 -1.11 -5.05 113.62 120.64 3i1p n SER 91 Ca -0.02 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.70 3i1p n SER 91 Cb 0.19 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3i1p n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1p n GLU 92 N 0.38 0.00 -0.22 1.43 -0.58 -1.17 -4.71 120.64 115.77 3i1p n GLU 92 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3i1p n GLU 92 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 3i1p n GLU 92 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i1p n GLN 93 N 12.12 -0.03 -1.62 3.49 1.13 -1.26 0.85 117.38 132.06 3i1p n GLN 93 Ca 0.00 0.02 -0.59 0.00 -1.94 0.00 0.00 57.00 54.50 3i1p n GLN 93 Cb 0.00 -0.06 -0.08 0.00 0.11 0.00 0.00 30.24 30.22 3i1p n GLN 93 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3i1p n PRO 94 N 1.47 0.53 -0.16 -1.09 -0.04 -1.26 -2.77 135.00 131.67 3i1p n PRO 94 Ca 0.00 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 3i1p n PRO 94 Cb 0.00 -1.77 0.04 0.00 -0.04 0.00 0.00 33.50 31.73 3i1p n PRO 94 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i1p h ILE 95 N 3.98 0.49 -2.11 0.52 2.04 -1.24 -3.44 117.51 117.76 3i1p h ILE 95 Ca -0.48 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 3i1p h ILE 95 Cb 1.37 0.49 0.07 0.00 -0.74 0.00 0.00 36.82 38.01 3i1p h ILE 95 CO 0.82 0.00 0.03 0.61 0.00 0.00 0.00 178.15 179.61 3i1p n GLY 96 N -1.36 -2.72 2.54 5.37 0.00 -1.26 -5.01 105.19 102.75 3i1p n GLY 96 Ca 0.05 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 3i1p n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1p n THR 97 N -3.44 0.56 0.00 2.61 -2.24 -1.26 -4.99 114.28 105.51 3i1p n THR 97 Ca 0.05 -3.26 0.00 0.00 -2.27 0.00 0.00 64.05 58.57 3i1p n THR 97 Cb 0.21 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3i1p n THR 97 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i1p n ARG 98 N -0.00 0.00 -4.17 -0.78 0.63 -1.26 -4.97 116.66 106.10 3i1p n ARG 98 Ca 0.12 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.88 3i1p n ARG 98 Cb 0.78 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.53 3i1p n ARG 98 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3i1p s ILE 99 N -1.82 0.46 -0.66 5.15 1.01 -1.26 -3.05 121.20 121.03 3i1p s ILE 99 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.50 3i1p s ILE 99 Cb 0.00 -0.43 0.30 0.00 0.01 0.00 0.00 42.46 42.34 3i1p s ILE 99 CO 0.00 0.16 0.95 0.49 0.00 0.00 0.00 174.94 176.54 3i1p n PHE 100 N 3.32 3.73 0.00 3.97 3.01 -0.87 -4.52 117.46 126.10 3i1p n PHE 100 Ca -0.18 -3.90 0.00 0.00 1.01 0.00 0.00 57.45 54.38 3i1p n PHE 100 Cb 0.55 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 3i1p n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1p n GLY 101 N 0.30 1.15 3.70 1.37 0.00 -1.26 -4.93 105.19 105.52 3i1p n GLY 101 Ca 0.31 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3i1p n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1p s PRO 102 N -2.00 1.54 0.00 1.61 0.04 -1.26 -4.28 135.00 130.65 3i1p s PRO 102 Ca 0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3i1p s PRO 102 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3i1p s PRO 102 CO 0.00 -2.24 0.00 1.33 0.04 0.00 0.00 177.00 176.13 3i1p n VAL 103 N -3.72 0.00 0.00 -0.36 0.24 -1.26 -4.79 118.33 108.43 3i1p n VAL 103 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3i1p n VAL 103 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3i1p n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i1p n THR 104 N 0.00 0.00 0.00 3.34 5.66 0.12 -4.87 114.28 118.53 3i1p n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i1p n THR 104 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i1p n THR 104 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3i1p n ARG 105 N 0.00 0.00 0.22 1.09 0.00 -0.50 -1.35 116.66 116.12 3i1p n ARG 105 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.00 3i1p n ARG 105 Cb 0.00 -1.29 0.61 0.00 -0.00 0.00 0.00 32.46 31.78 3i1p n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i1p h GLU 106 N 0.00 0.00 0.00 2.89 3.07 -1.94 -3.04 114.58 115.56 3i1p h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i1p h GLU 106 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i1p h GLU 106 CO 0.00 0.00 -0.00 1.47 -1.40 0.00 0.00 179.01 179.08 3i1p n LEU 107 N -2.75 2.04 0.00 1.33 -0.00 -0.46 -4.52 117.00 112.65 3i1p n LEU 107 Ca 0.01 -2.26 0.02 0.00 -0.00 0.00 0.00 56.01 53.78 3i1p n LEU 107 Cb 0.28 -0.12 0.12 0.00 -0.00 0.00 0.00 43.42 43.70 3i1p n LEU 107 CO 0.24 0.55 0.38 -2.11 -0.00 0.00 0.00 177.39 176.45 3i1p n ARG 108 N -0.75 0.55 -2.06 1.47 1.85 -1.15 -4.42 116.66 112.15 3i1p n ARG 108 Ca 0.05 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.47 3i1p n ARG 108 Cb 0.37 -1.12 -0.03 0.00 -1.05 0.00 0.00 32.46 30.63 3i1p n ARG 108 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3i1p s SER 109 N -1.58 6.56 0.00 2.89 1.04 -1.26 -4.72 113.70 116.63 3i1p s SER 109 Ca 0.06 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.48 3i1p s SER 109 Cb 0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3i1p s SER 109 CO 0.05 -1.05 0.00 -0.62 0.98 0.00 0.00 173.24 172.60 3i1p n GLU 110 N 7.31 0.00 0.28 4.02 1.02 -1.26 -1.52 120.64 130.49 3i1p n GLU 110 Ca 0.18 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 3i1p n GLU 110 Cb 0.44 0.00 0.80 0.00 -0.02 0.00 0.00 31.44 32.65 3i1p n GLU 110 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3i1p h LYS 111 N 0.00 0.00 -0.82 3.49 -0.00 -1.92 -1.94 116.57 115.38 3i1p h LYS 111 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.61 3i1p h LYS 111 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 3i1p h LYS 111 CO 0.00 0.02 0.05 1.19 -0.00 0.00 0.00 179.45 180.71 3i1p n PHE 112 N -4.08 1.17 -0.07 0.07 3.01 -0.57 -4.40 117.46 112.58 3i1p n PHE 112 Ca -0.03 -0.51 -0.07 0.00 1.01 0.00 0.00 57.45 57.86 3i1p n PHE 112 Cb 0.10 -0.36 -0.01 0.00 -0.01 0.00 0.00 39.48 39.20 3i1p n PHE 112 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 3i1p h MET 113 N 1.83 -0.00 -0.85 -1.08 4.05 -1.54 -2.23 114.93 115.10 3i1p h MET 113 Ca 0.05 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.63 3i1p h MET 113 Cb 1.38 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 32.03 3i1p h MET 113 CO 0.31 -0.00 -0.30 -0.22 0.23 0.00 0.00 176.91 176.93 3i1p h LYS 114 N -0.00 -0.04 -0.30 0.39 1.63 -1.86 0.35 116.57 116.74 3i1p h LYS 114 Ca 0.14 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.01 3i1p h LYS 114 Cb 0.21 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.77 3i1p h LYS 114 CO -0.30 -0.02 -0.24 0.82 -3.45 0.00 0.00 179.45 176.26 3i1p h ILE 115 N -0.04 0.37 0.00 2.00 5.03 -1.75 -0.46 117.51 122.67 3i1p h ILE 115 Ca 0.36 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.10 3i1p h ILE 115 Cb 0.61 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 3i1p h ILE 115 CO -0.88 0.00 0.00 0.16 -0.68 0.00 0.00 178.15 176.75 3i1p h ILE 116 N -0.22 0.00 -0.57 -0.67 3.07 -0.67 -2.13 117.51 116.32 3i1p h ILE 116 Ca 0.16 -0.38 -0.07 0.00 1.55 0.00 0.00 64.86 66.12 3i1p h ILE 116 Cb 0.47 1.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.22 3i1p h ILE 116 CO -0.43 0.00 0.08 0.28 -1.05 0.00 0.00 178.15 177.02 3i1p h SER 117 N 0.00 0.92 -2.90 2.16 0.02 0.12 -3.43 113.55 110.43 3i1p h SER 117 Ca 0.00 -0.27 -0.55 0.00 -0.84 0.00 0.00 61.79 60.13 3i1p h SER 117 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3i1p h SER 117 CO 0.00 0.95 0.86 -0.76 -1.14 0.00 0.00 176.83 176.75 3i1p s LEU 118 N -9.48 4.27 0.00 5.07 1.43 -0.80 -4.91 118.68 114.26 3i1p s LEU 118 Ca -0.12 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3i1p s LEU 118 Cb 0.13 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3i1p s LEU 118 CO 0.83 -0.73 0.00 0.00 0.23 0.00 0.00 176.35 176.67 3i1p n ALA 119 N 5.97 0.00 0.00 4.21 0.00 -1.26 -4.61 120.51 124.82 3i1p n ALA 119 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3i1p n ALA 119 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3i1p n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i1p n PRO 120 N -0.99 0.00 0.00 0.00 -0.02 -1.26 -4.90 135.00 127.83 3i1p n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i1p n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i1p n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i1p n GLU 121 N 0.00 0.00 0.00 -0.52 1.02 -1.26 -4.98 120.64 114.90 3i1p n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i1p n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i1p n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59