#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cie s PHE 3 N 0.00 3.43 0.09 3.52 0.40 -1.26 -0.82 117.98 123.33 2cie s PHE 3 Ca 0.00 0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.62 2cie s PHE 3 Cb 0.00 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 2cie s PHE 3 CO 0.00 0.57 -0.22 0.21 0.70 0.00 0.00 175.22 176.49 2cie s LYS 4 N -2.41 1.23 -0.01 0.44 2.20 -0.24 -4.92 119.74 116.03 2cie s LYS 4 Ca 0.33 -1.13 0.06 0.00 -0.36 0.00 0.00 55.97 54.86 2cie s LYS 4 Cb -0.13 -1.49 -0.03 0.00 -1.51 0.00 0.00 37.83 34.68 2cie s LYS 4 CO 0.25 0.36 -0.18 0.15 -0.36 0.00 0.00 175.35 175.57 2cie s LYS 5 N -1.74 2.26 0.02 4.03 1.02 -1.26 -0.90 119.74 123.18 2cie s LYS 5 Ca 0.08 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.29 2cie s LYS 5 Cb -0.10 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2cie s LYS 5 CO 0.04 0.58 -0.19 0.14 -0.92 0.00 0.00 175.35 175.00 2cie s VAL 6 N -0.77 2.73 -0.45 3.17 -7.23 -0.31 -4.91 120.40 112.63 2cie s VAL 6 Ca 0.12 -1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 59.02 2cie s VAL 6 Cb -0.10 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.78 2cie s VAL 6 CO 0.02 0.39 0.35 -0.22 -0.31 0.00 0.00 175.10 175.33 2cie s LEU 7 N -1.26 5.40 0.03 1.32 2.96 -1.26 -0.66 118.68 125.21 2cie s LEU 7 Ca 0.14 -1.25 0.08 0.00 -0.22 0.00 0.00 54.13 52.89 2cie s LEU 7 Cb -0.10 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2cie s LEU 7 CO 0.04 -0.58 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.48 2cie s LEU 8 N 1.61 2.14 -0.28 -0.68 1.43 -0.12 -4.97 118.68 117.81 2cie s LEU 8 Ca 0.04 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2cie s LEU 8 Cb -0.23 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.80 2cie s LEU 8 CO 0.07 0.25 0.02 -0.89 0.23 0.00 0.00 176.35 176.02 2cie s THR 9 N -0.75 3.40 0.35 5.49 2.01 -1.26 -0.32 115.64 124.57 2cie s THR 9 Ca 0.10 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 2cie s THR 9 Cb -0.10 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2cie s THR 9 CO 0.01 0.09 0.57 -0.83 -0.69 0.00 0.00 174.62 173.77 2cie s GLY 10 N 1.39 1.39 0.09 4.40 0.00 -0.30 -4.81 107.32 109.48 2cie s GLY 10 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.92 2cie s GLY 10 CO -0.01 -0.77 -0.10 -0.51 0.00 0.00 0.00 173.10 171.71 2cie s THR 11 N -2.34 0.91 -0.11 0.90 -4.23 -1.25 -1.84 115.64 107.68 2cie s THR 11 Ca 0.41 -1.52 -0.23 0.00 -1.18 0.00 0.00 61.69 59.17 2cie s THR 11 Cb -0.10 -1.22 0.05 0.00 1.34 0.00 0.00 72.50 72.58 2cie s THR 11 CO 0.36 -0.49 0.55 -0.55 -0.54 0.00 0.00 174.62 173.96 2cie s SER 12 N -2.23 -0.52 0.00 3.99 0.15 0.10 -4.53 113.70 110.65 2cie s SER 12 Ca 0.02 0.74 0.22 0.00 0.70 0.00 0.00 55.95 57.63 2cie s SER 12 Cb -0.05 0.74 0.84 0.00 -1.71 0.00 0.00 66.02 65.84 2cie s SER 12 CO 0.00 -0.41 1.60 -0.62 1.20 0.00 0.00 173.24 175.01 2cie n GLU 13 N 1.74 1.65 -0.08 5.44 1.02 -1.26 0.37 120.64 129.51 2cie n GLU 13 Ca -0.17 -0.97 -0.17 0.00 -0.02 0.00 0.00 57.16 55.83 2cie n GLU 13 Cb 0.56 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 2cie n GLU 13 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2cie n GLU 14 N 0.19 0.36 -3.62 3.49 -0.58 -1.26 -4.86 120.64 114.35 2cie n GLU 14 Ca 0.16 0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 56.98 2cie n GLU 14 Cb 0.31 -1.10 -0.02 0.00 -0.57 0.00 0.00 31.44 30.06 2cie n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2cie s SER 15 N -6.45 -0.37 0.27 1.62 1.04 -1.26 -5.01 113.70 103.52 2cie s SER 15 Ca -0.23 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 2cie s SER 15 Cb 0.08 0.58 0.35 0.00 0.10 0.00 0.00 66.02 67.13 2cie s SER 15 CO 0.30 -1.00 1.86 -0.26 0.98 0.00 0.00 173.24 175.12 2cie h PHE 16 N 2.00 1.02 -0.40 5.02 0.05 -1.92 -1.54 116.94 121.17 2cie h PHE 16 Ca -0.26 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.49 2cie h PHE 16 Cb 1.27 -0.32 -0.02 0.00 2.00 0.00 0.00 35.95 38.88 2cie h PHE 16 CO 0.32 0.76 0.26 1.15 -0.18 0.00 0.00 178.31 180.61 2cie h THR 17 N 1.01 1.11 -0.18 -1.55 2.02 -1.99 -1.88 112.91 111.46 2cie h THR 17 Ca 0.24 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2cie h THR 17 Cb 0.13 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2cie h THR 17 CO -0.03 0.11 -0.26 0.00 0.37 0.00 0.00 175.52 175.71 2cie h ALA 18 N 1.13 1.23 -0.61 6.16 0.00 -1.91 -1.35 119.26 123.91 2cie h ALA 18 Ca 0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2cie h ALA 18 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2cie h ALA 18 CO -0.03 0.51 0.07 0.00 0.00 0.00 0.00 179.25 179.79 2cie h ALA 19 N 1.43 0.81 -0.59 0.00 0.00 -1.05 -0.57 119.26 119.30 2cie h ALA 19 Ca 0.05 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2cie h ALA 19 Cb 0.62 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2cie h ALA 19 CO 0.04 0.59 0.33 0.00 0.00 0.00 0.00 179.25 180.22 2cie h ALA 20 N 1.01 0.77 -0.86 0.00 0.00 -0.82 -2.29 119.26 117.06 2cie h ALA 20 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cie h ALA 20 Cb 0.47 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2cie h ALA 20 CO 0.02 0.03 0.52 -0.44 0.00 0.00 0.00 179.25 179.37 2cie h ASP 21 N 0.64 1.03 -0.70 0.00 3.32 -0.89 -1.45 116.42 118.37 2cie h ASP 21 Ca 0.25 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2cie h ASP 21 Cb 0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2cie h ASP 21 CO -0.14 0.79 0.45 -0.78 -1.72 0.00 0.00 179.24 177.84 2cie h ASP 22 N 1.19 0.74 -0.31 6.45 3.58 -0.56 0.18 116.42 127.69 2cie h ASP 22 Ca 0.31 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 2cie h ASP 22 Cb -0.05 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2cie h ASP 22 CO -0.06 0.52 0.08 0.00 -2.88 0.00 0.00 179.24 176.90 2cie h ALA 23 N 1.29 0.41 -0.58 -0.78 0.00 -1.07 -2.66 119.26 115.88 2cie h ALA 23 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2cie h ALA 23 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2cie h ALA 23 CO -0.10 0.06 0.12 0.82 0.00 0.00 0.00 179.25 180.15 2cie h ILE 24 N 0.34 1.25 -0.57 0.00 2.04 -0.87 -1.24 117.51 118.46 2cie h ILE 24 Ca 0.10 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.10 2cie h ILE 24 Cb 0.28 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 2cie h ILE 24 CO -0.00 0.35 0.21 0.44 0.00 0.00 0.00 178.15 179.15 2cie h ASP 25 N 0.84 0.21 -0.57 1.72 3.32 -0.66 -0.45 116.42 120.84 2cie h ASP 25 Ca 0.18 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2cie h ASP 25 Cb 0.38 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2cie h ASP 25 CO 0.01 0.14 0.09 -0.09 -1.72 0.00 0.00 179.24 177.67 2cie h ARG 26 N 0.39 0.94 -0.49 3.56 9.65 -1.08 -1.55 114.38 125.81 2cie h ARG 26 Ca 0.28 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2cie h ARG 26 Cb 0.33 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 2cie h ARG 26 CO -0.28 0.90 0.29 0.00 2.80 0.00 0.00 179.97 183.67 2cie h ALA 27 N 1.00 0.62 0.00 2.80 0.00 -0.65 -2.51 119.26 120.52 2cie h ALA 27 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2cie h ALA 27 Cb 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2cie h ALA 27 CO 0.01 -0.02 -0.03 0.93 0.00 0.00 0.00 179.25 180.14 2cie h GLU 28 N 0.57 0.00 0.00 0.00 5.08 -0.79 0.17 114.58 119.60 2cie h GLU 28 Ca 0.20 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2cie h GLU 28 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2cie h GLU 28 CO -0.09 0.03 -0.43 -0.44 -1.00 0.00 0.00 179.01 177.08 2cie h ASP 29 N 0.00 0.00 0.00 1.42 3.32 -0.82 -3.36 116.42 116.97 2cie h ASP 29 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2cie h ASP 29 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2cie h ASP 29 CO 0.00 0.43 -0.51 0.41 -1.72 0.00 0.00 179.24 177.85 2cie n THR 30 N -3.82 0.00 -4.58 0.35 -1.04 -0.75 -5.04 114.28 99.39 2cie n THR 30 Ca -0.01 -0.23 -0.25 0.00 -2.04 0.00 0.00 64.05 61.52 2cie n THR 30 Cb 0.48 0.73 -0.14 0.00 -1.82 0.00 0.00 70.33 69.58 2cie n THR 30 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cie s LEU 31 N -2.43 2.19 0.13 -4.42 1.43 0.51 -5.11 118.68 110.98 2cie s LEU 31 Ca 0.00 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 2cie s LEU 31 Cb 0.00 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 2cie s LEU 31 CO 0.00 0.14 0.41 -1.81 0.23 0.00 0.00 176.35 175.33 2cie s ASP 32 N -1.31 6.58 -0.77 2.29 1.01 -1.26 -4.57 116.67 118.64 2cie s ASP 32 Ca 0.07 0.73 -0.02 0.00 0.71 0.00 0.00 52.55 54.05 2cie s ASP 32 Cb -0.09 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.69 2cie s ASP 32 CO 0.02 0.09 0.66 0.59 0.21 0.00 0.00 175.17 176.74 2cie n ASN 33 N 0.43 -3.00 -4.71 0.27 3.02 -1.26 -4.46 115.26 105.56 2cie n ASN 33 Ca -0.05 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.72 2cie n ASN 33 Cb 0.52 -3.32 -0.03 0.00 -0.61 0.00 0.00 39.78 36.34 2cie n ASN 33 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2cie s VAL 34 N -3.21 3.49 -0.06 2.41 1.01 -1.26 -1.15 120.40 121.62 2cie s VAL 34 Ca 0.13 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.15 2cie s VAL 34 Cb -0.06 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2cie s VAL 34 CO 0.45 0.06 -0.05 1.33 0.00 0.00 0.00 175.10 176.89 2cie n VAL 35 N 4.12 0.34 -3.88 2.92 0.24 0.29 -4.96 118.33 117.40 2cie n VAL 35 Ca 0.12 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.21 2cie n VAL 35 Cb 0.43 -0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 32.06 2cie n VAL 35 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 2cie s TRP 36 N -2.12 -0.09 0.01 6.34 -2.14 -1.17 -5.03 118.94 114.74 2cie s TRP 36 Ca -0.08 -0.36 -0.01 0.00 2.66 0.00 0.00 56.10 58.31 2cie s TRP 36 Cb 0.02 0.63 -0.01 0.00 -3.10 0.00 0.00 33.47 31.01 2cie s TRP 36 CO 0.14 -1.21 0.02 0.00 -2.66 0.00 0.00 176.95 173.24 2cie s ALA 37 N -3.89 -0.01 -0.12 2.67 0.00 -1.26 -0.42 121.76 118.72 2cie s ALA 37 Ca 0.13 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2cie s ALA 37 Cb -0.05 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2cie s ALA 37 CO 0.07 -0.12 -0.23 -1.21 0.00 0.00 0.00 175.76 174.28 2cie s GLU 38 N -0.93 3.03 0.07 0.00 2.02 -0.09 -4.96 118.70 117.85 2cie s GLU 38 Ca -0.10 -0.86 -0.31 0.00 0.02 0.00 0.00 54.97 53.72 2cie s GLU 38 Cb -0.06 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.73 2cie s GLU 38 CO -0.00 0.06 1.22 0.08 0.02 0.00 0.00 175.26 176.64 2cie s VAL 39 N 0.62 3.92 -0.04 2.63 1.01 -1.26 -0.91 120.40 126.37 2cie s VAL 39 Ca -0.12 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.28 2cie s VAL 39 Cb -0.17 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2cie s VAL 39 CO 0.02 0.12 0.07 1.33 0.00 0.00 0.00 175.10 176.64 2cie n VAL 40 N 3.84 0.00 -3.53 2.92 0.24 -0.19 -4.94 118.33 116.67 2cie n VAL 40 Ca 0.09 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 2cie n VAL 40 Cb 0.46 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.41 2cie n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2cie s ASP 41 N -1.93 -0.46 0.01 -1.34 2.15 -1.15 -4.99 116.67 108.96 2cie s ASP 41 Ca -0.00 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.31 2cie s ASP 41 Cb 0.02 0.41 -0.01 0.00 -0.30 0.00 0.00 42.92 43.04 2cie s ASP 41 CO 0.10 -0.55 -0.02 -1.10 -0.17 0.00 0.00 175.17 173.43 2cie s GLN 42 N -1.94 0.18 0.32 4.34 -0.21 -1.26 -0.36 119.66 120.73 2cie s GLN 42 Ca -0.02 -0.26 -0.13 0.00 0.02 0.00 0.00 55.36 54.97 2cie s GLN 42 Cb -0.01 -0.04 0.02 0.00 1.00 0.00 0.00 33.01 33.99 2cie s GLN 42 CO -0.01 0.00 0.63 0.20 -2.12 0.00 0.00 175.29 174.00 2cie s GLY 43 N -0.56 0.56 -0.03 3.09 0.00 -0.19 -5.01 107.32 105.18 2cie s GLY 43 Ca -0.05 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 2cie s GLY 43 CO -0.00 -0.49 0.01 0.14 0.00 0.00 0.00 173.10 172.76 2cie s VAL 44 N -3.22 0.12 -0.15 1.40 1.01 -1.26 -0.38 120.40 117.92 2cie s VAL 44 Ca 0.20 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 2cie s VAL 44 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2cie s VAL 44 CO 0.12 0.15 0.54 -0.70 0.00 0.00 0.00 175.10 175.21 2cie s GLU 45 N 1.28 4.29 0.00 2.72 2.56 0.28 -4.94 118.70 124.89 2cie s GLU 45 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.42 2cie s GLU 45 Cb -0.13 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.50 2cie s GLU 45 CO -0.02 -0.00 0.00 -0.89 -0.56 0.00 0.00 175.26 173.79 2cie n ILE 46 N 4.09 0.00 0.02 -3.70 5.41 -1.26 -1.38 119.36 122.54 2cie n ILE 46 Ca -0.05 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.52 2cie n ILE 46 Cb 0.51 -1.38 -0.12 0.00 -0.71 0.00 0.00 39.64 37.95 2cie n ILE 46 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2cie h GLY 47 N 0.00 0.48 -0.09 7.39 0.00 -1.98 -3.29 103.07 105.58 2cie h GLY 47 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2cie h GLY 47 CO 0.00 0.79 0.00 0.00 0.00 0.00 0.00 176.54 177.33 2cie n ALA 48 N -2.61 2.50 -2.62 3.60 0.00 -1.26 -4.88 120.51 115.23 2cie n ALA 48 Ca -0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 2cie n ALA 48 Cb 0.73 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 2cie n ALA 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2cie s VAL 49 N -1.96 0.71 0.06 0.00 -7.23 -1.24 -5.05 120.40 105.69 2cie s VAL 49 Ca 0.01 -1.40 -0.18 0.00 -1.81 0.00 0.00 61.98 58.60 2cie s VAL 49 Cb 0.01 -1.04 -0.13 0.00 0.56 0.00 0.00 36.38 35.78 2cie s VAL 49 CO 0.01 -0.51 1.36 -0.08 -0.31 0.00 0.00 175.10 175.57 2cie h GLU 50 N 3.95 0.48 -6.33 4.82 4.81 -1.90 -3.44 114.58 116.97 2cie h GLU 50 Ca -0.36 -0.26 -0.69 0.00 -0.13 0.00 0.00 59.36 57.92 2cie h GLU 50 Cb 1.19 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 2cie h GLU 50 CO 0.48 0.84 -0.78 -1.21 -0.73 0.00 0.00 179.01 177.61 2cie s GLU 51 N -4.29 2.48 0.17 1.92 2.02 -1.26 -5.09 118.70 114.66 2cie s GLU 51 Ca -0.13 -0.72 -0.32 0.00 0.02 0.00 0.00 54.97 53.82 2cie s GLU 51 Cb 0.06 -2.35 -0.16 0.00 0.10 0.00 0.00 34.13 31.78 2cie s GLU 51 CO 0.78 0.61 1.00 0.54 0.02 0.00 0.00 175.26 178.22 2cie n ARG 52 N 2.34 0.81 -4.18 1.61 1.74 -1.26 -4.93 116.66 112.79 2cie n ARG 52 Ca -0.17 0.29 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 2cie n ARG 52 Cb 0.52 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 2cie n ARG 52 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cie s THR 53 N -0.45 1.72 0.23 0.55 2.01 -0.48 -4.59 115.64 114.63 2cie s THR 53 Ca 0.72 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 61.70 2cie s THR 53 Cb -0.90 -1.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 2cie s THR 53 CO 0.55 0.48 0.88 -0.31 -0.69 0.00 0.00 174.62 175.53 2cie s TYR 54 N 1.29 3.91 0.01 4.92 1.51 0.16 -0.55 117.35 128.59 2cie s TYR 54 Ca 0.02 1.79 0.04 0.00 -1.01 0.00 0.00 57.07 57.91 2cie s TYR 54 Cb -0.13 -2.89 -0.01 0.00 -0.11 0.00 0.00 41.96 38.81 2cie s TYR 54 CO -0.09 0.44 -0.14 -0.65 -1.11 0.00 0.00 175.55 174.00 2cie s GLN 55 N -1.33 1.06 -0.07 -0.62 -0.21 0.49 -0.72 119.66 118.25 2cie s GLN 55 Ca 0.41 -0.58 -0.00 0.00 0.02 0.00 0.00 55.36 55.21 2cie s GLN 55 Cb -0.24 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.76 2cie s GLN 55 CO 0.29 0.28 -0.04 0.99 -2.12 0.00 0.00 175.29 174.69 2cie s THR 56 N -0.49 0.61 -0.17 -0.19 2.01 -0.77 -1.02 115.64 115.63 2cie s THR 56 Ca 0.04 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2cie s THR 56 Cb -0.06 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 2cie s THR 56 CO 0.00 0.28 0.16 -0.70 -0.69 0.00 0.00 174.62 173.66 2cie s GLU 57 N 1.50 3.97 0.00 4.92 2.12 0.51 -1.14 118.70 130.58 2cie s GLU 57 Ca -0.01 -0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.20 2cie s GLU 57 Cb -0.13 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2cie s GLU 57 CO -0.04 0.44 -0.09 0.14 -0.54 0.00 0.00 175.26 175.18 2cie s VAL 58 N -0.07 0.71 -0.28 3.70 -7.23 0.57 -1.03 120.40 116.77 2cie s VAL 58 Ca 0.11 -0.51 -0.26 0.00 -1.81 0.00 0.00 61.98 59.52 2cie s VAL 58 Cb -0.12 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2cie s VAL 58 CO 0.01 0.11 0.90 -1.10 -0.31 0.00 0.00 175.10 174.71 2cie s GLN 59 N -0.44 4.10 -0.29 4.82 -1.52 -0.09 -0.95 119.66 125.29 2cie s GLN 59 Ca 0.02 0.92 -0.10 0.00 -1.95 0.00 0.00 55.36 54.25 2cie s GLN 59 Cb -0.04 -3.69 -0.03 0.00 -0.22 0.00 0.00 33.01 29.02 2cie s GLN 59 CO -0.00 -0.67 0.16 0.08 -0.25 0.00 0.00 175.29 174.60 2cie s VAL 60 N 3.11 4.88 -0.03 1.09 1.01 0.16 -0.91 120.40 129.72 2cie s VAL 60 Ca 0.38 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2cie s VAL 60 Cb -0.14 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2cie s VAL 60 CO 0.11 0.19 0.45 0.00 0.00 0.00 0.00 175.10 175.84 2cie s ALA 61 N 1.68 3.61 0.03 5.51 0.00 0.44 -1.16 121.76 131.87 2cie s ALA 61 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2cie s ALA 61 Cb -0.16 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 2cie s ALA 61 CO 0.08 0.31 -0.05 -0.59 0.00 0.00 0.00 175.76 175.51 2cie s PHE 62 N -0.53 0.45 -0.12 0.00 -0.12 -0.08 -0.55 117.98 117.04 2cie s PHE 62 Ca 0.25 -0.44 -0.24 0.00 -0.05 0.00 0.00 56.93 56.45 2cie s PHE 62 Cb -0.17 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2cie s PHE 62 CO 0.13 -0.11 0.77 -2.00 -0.05 0.00 0.00 175.22 173.96 2cie s GLU 63 N -1.28 4.36 0.41 1.99 2.12 -0.30 -1.07 118.70 124.92 2cie s GLU 63 Ca -0.10 0.95 -0.24 0.00 0.36 0.00 0.00 54.97 55.94 2cie s GLU 63 Cb -0.09 -3.52 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 2cie s GLU 63 CO -0.00 -0.15 1.05 -0.51 -0.54 0.00 0.00 175.26 175.11 2cie s LEU 64 N 1.53 4.10 0.00 2.70 1.43 -0.00 -4.75 118.68 123.68 2cie s LEU 64 Ca 0.38 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2cie s LEU 64 Cb -0.17 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2cie s LEU 64 CO 0.15 -0.54 0.00 0.47 0.23 0.00 0.00 176.35 176.66