#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfk h ALA 2 N 0.00 -0.41 -0.27 3.17 0.00 -2.06 -2.73 119.26 116.96 1jfk h ALA 2 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1jfk h ALA 2 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jfk h ALA 2 CO 0.00 -0.47 0.09 0.93 0.00 0.00 0.00 179.25 179.80 1jfk h GLU 3 N -0.93 0.42 -1.07 0.00 3.07 -1.99 -1.95 114.58 112.13 1jfk h GLU 3 Ca -0.04 -0.09 0.31 0.00 -0.50 0.00 0.00 59.36 59.04 1jfk h GLU 3 Cb 0.51 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 1jfk h GLU 3 CO 0.07 0.48 0.76 0.00 -1.40 0.00 0.00 179.01 178.92 1jfk h ALA 4 N 0.92 2.94 -0.02 3.43 0.00 -1.99 0.50 119.26 125.05 1jfk h ALA 4 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jfk h ALA 4 Cb 0.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jfk h ALA 4 CO -0.00 -1.26 -0.16 -0.07 0.00 0.00 0.00 179.25 177.75 1jfk h LEU 5 N 0.04 0.18 -0.46 0.00 4.07 -1.04 0.16 115.31 118.26 1jfk h LEU 5 Ca 0.52 -0.71 0.05 0.00 0.08 0.00 0.00 57.88 57.82 1jfk h LEU 5 Cb 2.00 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 43.64 1jfk h LEU 5 CO -0.03 0.86 0.21 0.15 -1.08 0.00 0.00 178.44 178.54 1jfk h PHE 6 N -0.49 0.38 -0.29 1.13 3.04 0.31 0.15 116.94 121.18 1jfk h PHE 6 Ca -0.02 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1jfk h PHE 6 Cb 0.86 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 1jfk h PHE 6 CO 0.16 0.18 -0.53 1.57 -2.02 0.00 0.00 178.31 177.67 1jfk h LYS 7 N 0.42 0.85 0.40 1.11 5.09 -0.70 -2.78 116.57 120.95 1jfk h LYS 7 Ca 0.21 -0.53 -0.01 0.00 0.09 0.00 0.00 60.65 60.41 1jfk h LYS 7 Cb 0.15 0.06 -0.03 0.00 0.10 0.00 0.00 32.23 32.51 1jfk h LYS 7 CO -0.17 1.16 -0.44 1.49 -2.09 0.00 0.00 179.45 179.41 1jfk h GLU 8 N 0.65 -0.83 -0.96 0.07 4.81 0.03 -1.23 114.58 117.12 1jfk h GLU 8 Ca 0.02 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.51 1jfk h GLU 8 Cb 1.13 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.62 1jfk h GLU 8 CO 0.12 -0.55 0.61 0.97 -0.73 0.00 0.00 179.01 179.43 1jfk h ILE 9 N -0.86 0.68 -0.21 2.32 -0.00 -0.76 -3.15 117.51 115.53 1jfk h ILE 9 Ca -0.04 -0.18 -0.59 0.00 -0.00 0.00 0.00 64.86 64.05 1jfk h ILE 9 Cb 0.77 0.09 -0.00 0.00 -0.00 0.00 0.00 36.82 37.68 1jfk h ILE 9 CO -0.08 0.10 2.14 -0.67 -0.00 0.00 0.00 178.15 179.63 1jfk n ASP 10 N -4.60 3.16 -0.33 2.19 2.03 -0.46 -4.69 116.55 113.84 1jfk n ASP 10 Ca 0.21 -2.74 0.17 0.00 0.52 0.00 0.00 54.79 52.95 1jfk n ASP 10 Cb 0.67 -1.43 0.39 0.00 -0.72 0.00 0.00 41.12 40.04 1jfk n ASP 10 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jfk h VAL 11 N 4.92 0.62 -0.97 5.18 2.07 -1.72 0.70 116.25 127.05 1jfk h VAL 11 Ca 0.40 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.91 1jfk h VAL 11 Cb 0.75 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 1jfk h VAL 11 CO 1.72 0.11 0.61 0.78 0.02 0.00 0.00 177.57 180.81 1jfk h ASN 12 N 0.61 0.63 -4.41 0.57 4.21 -1.90 -3.46 115.58 111.83 1jfk h ASN 12 Ca 0.59 0.07 -0.12 0.00 1.21 0.00 0.00 56.30 58.05 1jfk h ASN 12 Cb 1.13 -0.04 0.10 0.00 -1.12 0.00 0.00 38.32 38.39 1jfk h ASN 12 CO -0.37 0.24 -0.42 0.61 -1.29 0.00 0.00 177.43 176.20 1jfk n GLY 13 N -1.41 -0.37 0.21 2.83 0.00 0.24 -4.99 105.19 101.70 1jfk n GLY 13 Ca 0.22 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.41 1jfk n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfk n ASP 14 N -2.34 2.85 0.00 1.61 5.68 -1.26 -5.05 116.55 118.03 1jfk n ASP 14 Ca -0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1jfk n ASP 14 Cb 0.56 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1jfk n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfk n GLY 15 N 3.09 1.34 3.40 6.12 0.00 -1.26 -5.14 105.19 112.74 1jfk n GLY 15 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1jfk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfk s ALA 16 N -2.00 -1.35 0.34 4.61 0.00 -1.26 -4.24 121.76 117.85 1jfk s ALA 16 Ca 0.00 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.72 1jfk s ALA 16 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.39 1jfk s ALA 16 CO 0.00 -0.48 -0.11 0.08 0.00 0.00 0.00 175.76 175.25 1jfk s VAL 17 N -2.26 2.28 0.34 0.00 1.01 0.15 -4.84 120.40 117.07 1jfk s VAL 17 Ca -0.06 -2.24 0.02 0.00 0.00 0.00 0.00 61.98 59.70 1jfk s VAL 17 Cb -0.01 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1jfk s VAL 17 CO -0.00 -0.23 0.08 -1.54 0.00 0.00 0.00 175.10 173.41 1jfk n SER 18 N -0.77 1.73 -0.11 3.32 3.41 -1.26 0.33 113.62 120.27 1jfk n SER 18 Ca -0.05 -2.70 -0.09 0.00 -0.26 0.00 0.00 58.87 55.77 1jfk n SER 18 Cb 0.63 0.65 0.06 0.00 -0.26 0.00 0.00 64.21 65.29 1jfk n SER 18 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1jfk h TYR 19 N 1.43 0.95 -0.04 7.33 3.20 -1.83 0.02 116.97 128.03 1jfk h TYR 19 Ca -0.27 -0.22 -0.20 0.00 3.14 0.00 0.00 58.73 61.18 1jfk h TYR 19 Cb 0.96 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 39.01 1jfk h TYR 19 CO 0.00 0.97 -0.75 1.49 -1.64 0.00 0.00 178.16 178.24 1jfk h GLU 20 N 0.73 0.58 -0.51 1.82 4.81 -1.97 -0.95 114.58 119.10 1jfk h GLU 20 Ca 0.10 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1jfk h GLU 20 Cb 0.75 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1jfk h GLU 20 CO 0.06 1.19 0.26 0.93 -0.73 0.00 0.00 179.01 180.71 1jfk h GLU 21 N 0.19 0.73 -0.43 1.92 5.08 -1.94 -0.47 114.58 119.67 1jfk h GLU 21 Ca -0.08 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1jfk h GLU 21 Cb 1.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1jfk h GLU 21 CO 0.15 0.59 -0.11 -0.24 -1.00 0.00 0.00 179.01 178.40 1jfk h VAL 22 N 0.68 1.27 -0.75 3.13 3.04 -1.03 -0.19 116.25 122.40 1jfk h VAL 22 Ca 0.18 -1.22 0.08 0.00 -1.01 0.00 0.00 66.70 64.72 1jfk h VAL 22 Cb 0.10 1.18 -0.07 0.00 -2.01 0.00 0.00 31.29 30.49 1jfk h VAL 22 CO -0.02 0.41 0.41 0.11 -1.01 0.00 0.00 177.57 177.47 1jfk h LYS 23 N 0.65 0.70 -0.38 4.17 1.57 -0.81 -0.19 116.57 122.29 1jfk h LYS 23 Ca 0.11 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1jfk h LYS 23 Cb 0.65 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1jfk h LYS 23 CO 0.04 0.46 -0.14 0.00 -0.57 0.00 0.00 179.45 179.24 1jfk h ALA 24 N 1.41 0.53 0.19 3.86 0.00 -0.84 0.81 119.26 125.22 1jfk h ALA 24 Ca 0.35 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jfk h ALA 24 Cb 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1jfk h ALA 24 CO -0.23 0.44 -0.52 0.35 0.00 0.00 0.00 179.25 179.29 1jfk h PHE 25 N 0.57 -1.49 -0.74 0.00 3.04 0.30 0.13 116.94 118.74 1jfk h PHE 25 Ca 0.09 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1jfk h PHE 25 Cb 0.68 0.63 -0.03 0.00 2.56 0.00 0.00 35.95 39.78 1jfk h PHE 25 CO 0.05 -0.61 0.33 -0.24 -2.02 0.00 0.00 178.31 175.83 1jfk h VAL 26 N -0.79 1.24 -0.93 1.41 3.04 -1.11 -2.24 116.25 116.87 1jfk h VAL 26 Ca -0.02 -0.73 0.20 0.00 -1.01 0.00 0.00 66.70 65.14 1jfk h VAL 26 Cb 0.77 0.36 -0.11 0.00 -2.01 0.00 0.00 31.29 30.30 1jfk h VAL 26 CO -0.24 0.30 0.49 -1.28 -1.01 0.00 0.00 177.57 175.83 1jfk h SER 27 N 1.04 0.55 -1.17 3.17 0.87 -0.15 0.76 113.55 118.62 1jfk h SER 27 Ca 0.25 0.12 0.34 0.00 -1.23 0.00 0.00 61.79 61.27 1jfk h SER 27 Cb 0.16 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1jfk h SER 27 CO -0.03 0.14 0.84 0.11 -0.53 0.00 0.00 176.83 177.37 1jfk h LYS 28 N 0.58 0.01 0.00 2.24 1.57 -0.13 -2.84 116.57 117.99 1jfk h LYS 28 Ca 0.55 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1jfk h LYS 28 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1jfk h LYS 28 CO -0.44 0.01 0.00 1.17 -0.57 0.00 0.00 179.45 179.62 1jfk n LYS 29 N -4.19 0.00 -2.39 3.15 4.81 0.26 -5.05 118.16 114.75 1jfk n LYS 29 Ca 0.25 0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.67 1jfk n LYS 29 Cb 1.23 -0.57 -0.01 0.00 0.02 0.00 0.00 35.03 35.70 1jfk n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jfk n ARG 30 N -0.55 0.61 -2.87 1.64 1.74 -1.07 -5.09 116.66 111.06 1jfk n ARG 30 Ca 0.00 -0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 56.39 1jfk n ARG 30 Cb 0.00 0.36 0.01 0.00 -1.02 0.00 0.00 32.46 31.81 1jfk n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfk n ALA 31 N -2.66 2.71 -1.87 7.54 0.00 -1.26 -4.09 120.51 120.88 1jfk n ALA 31 Ca -0.02 -3.15 -0.35 0.00 0.00 0.00 0.00 53.44 49.92 1jfk n ALA 31 Cb 0.10 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1jfk n ALA 31 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1jfk n ILE 32 N 0.07 4.10 -3.04 0.00 -5.35 -1.26 -4.64 119.36 109.23 1jfk n ILE 32 Ca 0.15 -4.03 -0.12 0.00 -0.27 0.00 0.00 62.75 58.48 1jfk n ILE 32 Cb 0.76 -1.55 0.04 0.00 -1.74 0.00 0.00 39.64 37.15 1jfk n ILE 32 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jfk n LYS 33 N 0.43 -4.02 0.25 6.28 5.02 -1.26 -4.88 118.16 119.98 1jfk n LYS 33 Ca 0.52 0.42 0.08 0.00 -2.02 0.00 0.00 58.31 57.31 1jfk n LYS 33 Cb 0.36 -4.21 0.62 0.00 -0.02 0.00 0.00 35.03 31.78 1jfk n LYS 33 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1jfk h ASN 34 N -1.36 0.00 0.11 4.39 7.08 -1.89 -0.57 115.58 123.35 1jfk h ASN 34 Ca -0.29 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 52.95 1jfk h ASN 34 Cb 1.19 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.39 1jfk h ASN 34 CO 0.28 0.05 -0.29 1.05 -2.08 0.00 0.00 177.43 176.45 1jfk h GLU 35 N 0.00 -0.48 0.39 4.14 4.11 -1.92 0.42 114.58 121.24 1jfk h GLU 35 Ca -0.00 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 1jfk h GLU 35 Cb 0.10 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jfk h GLU 35 CO 0.01 -0.32 -0.19 0.37 0.07 0.00 0.00 179.01 178.95 1jfk h GLN 36 N -0.50 -0.50 -0.98 1.06 4.15 -1.84 -1.29 115.11 115.21 1jfk h GLN 36 Ca 0.03 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.62 1jfk h GLN 36 Cb 0.53 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 28.19 1jfk h GLN 36 CO -0.17 -0.33 -0.45 1.25 -1.93 0.00 0.00 178.83 177.19 1jfk h LEU 37 N -1.05 -1.67 0.36 -2.39 7.12 -1.14 0.27 115.31 116.81 1jfk h LEU 37 Ca -0.05 0.31 -0.00 0.00 0.13 0.00 0.00 57.88 58.27 1jfk h LEU 37 Cb 0.40 0.82 -0.02 0.00 -0.53 0.00 0.00 40.66 41.32 1jfk h LEU 37 CO 0.09 -0.27 -0.37 0.25 -0.13 0.00 0.00 178.44 178.00 1jfk h LEU 38 N -0.01 -1.01 -0.93 2.25 6.46 -0.23 -1.29 115.31 120.54 1jfk h LEU 38 Ca 0.28 0.09 0.36 0.00 -0.12 0.00 0.00 57.88 58.49 1jfk h LEU 38 Cb 0.54 0.34 -0.17 0.00 -0.73 0.00 0.00 40.66 40.64 1jfk h LEU 38 CO -0.96 -0.51 0.39 1.67 -0.62 0.00 0.00 178.44 178.40 1jfk n GLN 39 N -5.47 -0.06 0.23 1.25 0.00 0.74 0.91 117.38 114.97 1jfk n GLN 39 Ca -0.10 1.30 -0.13 0.00 -0.00 0.00 0.00 57.00 58.07 1jfk n GLN 39 Cb 0.38 -2.27 -0.07 0.00 0.00 0.00 0.00 30.24 28.27 1jfk n GLN 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1jfk h LEU 40 N 0.00 -0.51 0.22 1.69 5.85 0.07 -1.57 115.31 121.05 1jfk h LEU 40 Ca 0.73 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1jfk h LEU 40 Cb 1.86 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.99 1jfk h LEU 40 CO -0.75 -0.13 -0.48 0.40 -0.34 0.00 0.00 178.44 177.14 1jfk h ILE 41 N -0.97 0.00 -0.73 4.05 2.04 0.14 0.16 117.51 122.20 1jfk h ILE 41 Ca -0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1jfk h ILE 41 Cb 0.58 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.55 1jfk h ILE 41 CO 0.10 0.00 -0.54 0.15 0.00 0.00 0.00 178.15 177.86 1jfk h PHE 42 N -0.76 -1.68 -0.53 1.37 3.04 0.45 1.51 116.94 120.34 1jfk h PHE 42 Ca -0.02 0.10 0.15 0.00 3.98 0.00 0.00 57.97 62.19 1jfk h PHE 42 Cb 0.73 0.83 -0.02 0.00 2.56 0.00 0.00 35.95 40.05 1jfk h PHE 42 CO -0.38 -0.42 0.39 -0.22 -2.02 0.00 0.00 178.31 175.65 1jfk h LYS 43 N -0.18 0.00 0.30 1.11 3.64 -0.92 1.59 116.57 122.11 1jfk h LYS 43 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1jfk h LYS 43 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1jfk h LYS 43 CO -0.78 0.00 -0.14 1.03 -2.27 0.00 0.00 179.45 177.28 1jfk h SER 44 N 0.00 -0.34 -0.28 4.20 0.87 0.50 -3.23 113.55 115.26 1jfk h SER 44 Ca 0.25 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 1jfk h SER 44 Cb 1.02 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1jfk h SER 44 CO -0.00 -0.00 -0.38 -0.29 -0.53 0.00 0.00 176.83 175.62 1jfk h ILE 45 N -0.71 1.30 -2.53 2.23 6.09 0.58 -3.41 117.51 121.06 1jfk h ILE 45 Ca -0.04 -1.57 -0.55 0.00 -1.37 0.00 0.00 64.86 61.33 1jfk h ILE 45 Cb 0.49 1.63 -0.03 0.00 0.47 0.00 0.00 36.82 39.37 1jfk h ILE 45 CO 0.07 0.50 1.27 -0.62 -3.07 0.00 0.00 178.15 176.30 1jfk s ASP 46 N -6.69 5.75 -0.09 2.19 2.15 0.53 -4.82 116.67 115.69 1jfk s ASP 46 Ca -0.12 0.93 -0.16 0.00 0.43 0.00 0.00 52.55 53.63 1jfk s ASP 46 Cb 0.09 -2.53 -0.28 0.00 -0.30 0.00 0.00 42.92 39.90 1jfk s ASP 46 CO 0.85 -1.89 0.60 0.00 -0.17 0.00 0.00 175.17 174.57 1jfk h ALA 47 N 13.24 0.14 0.41 3.66 0.00 -1.80 -3.39 119.26 131.52 1jfk h ALA 47 Ca -0.30 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.54 1jfk h ALA 47 Cb 1.16 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1jfk h ALA 47 CO 1.10 0.79 -0.20 0.38 0.00 0.00 0.00 179.25 181.32 1jfk h ASP 48 N -0.28 -0.46 0.00 0.00 3.04 -1.94 -3.49 116.42 113.29 1jfk h ASP 48 Ca -0.29 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1jfk h ASP 48 Cb 1.77 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 40.18 1jfk h ASP 48 CO 0.08 -0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.74 1jfk n GLY 49 N 0.09 1.20 0.01 7.15 0.00 -1.26 -4.99 105.19 107.40 1jfk n GLY 49 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1jfk n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jfk n ASN 50 N 0.00 0.08 0.00 1.61 6.94 -1.26 -4.85 115.26 117.77 1jfk n ASN 50 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 1jfk n ASN 50 Cb 0.00 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 36.89 1jfk n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jfk n GLY 51 N 0.69 2.18 3.24 4.83 0.00 -1.26 -4.99 105.19 109.88 1jfk n GLY 51 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1jfk n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jfk s GLU 52 N -0.24 1.01 0.43 1.61 8.01 -1.26 -2.17 118.70 126.09 1jfk s GLU 52 Ca 0.00 -1.11 0.04 0.00 0.01 0.00 0.00 54.97 53.91 1jfk s GLU 52 Cb 0.00 -1.14 -0.02 0.00 -4.31 0.00 0.00 34.13 28.67 1jfk s GLU 52 CO 0.00 0.25 0.14 0.96 0.01 0.00 0.00 175.26 176.63 1jfk s ILE 53 N -1.34 0.51 0.32 -1.63 -5.25 0.15 -4.97 121.20 109.00 1jfk s ILE 53 Ca 0.04 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.71 1jfk s ILE 53 Cb -0.09 -2.27 -0.00 0.00 2.95 0.00 0.00 42.46 43.04 1jfk s ILE 53 CO 0.04 0.00 0.02 -0.90 -1.79 0.00 0.00 174.94 172.30 1jfk n ASP 54 N -1.45 2.58 -0.14 4.36 5.68 -1.26 0.30 116.55 126.62 1jfk n ASP 54 Ca -0.07 -2.45 0.07 0.00 -0.50 0.00 0.00 54.79 51.85 1jfk n ASP 54 Cb 0.65 0.32 0.39 0.00 -1.14 0.00 0.00 41.12 41.33 1jfk n ASP 54 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1jfk h GLN 55 N 0.00 0.64 0.87 0.11 3.07 -1.94 0.47 115.11 118.34 1jfk h GLN 55 Ca -0.26 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 58.40 1jfk h GLN 55 Cb 0.83 -0.15 0.01 0.00 0.08 0.00 0.00 27.48 28.25 1jfk h GLN 55 CO 0.43 0.43 -0.42 -0.91 0.09 0.00 0.00 178.83 178.45 1jfk h ASN 56 N 0.66 -0.99 -0.10 0.06 2.35 -1.95 0.41 115.58 116.03 1jfk h ASN 56 Ca 0.29 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1jfk h ASN 56 Cb 0.28 0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1jfk h ASN 56 CO -0.09 -0.65 0.07 -0.33 -1.65 0.00 0.00 177.43 174.78 1jfk h GLU 57 N -1.29 0.06 -0.31 0.81 5.08 -1.85 -0.99 114.58 116.09 1jfk h GLU 57 Ca -0.12 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 1jfk h GLU 57 Cb 0.89 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1jfk h GLU 57 CO 0.20 0.04 -0.47 0.35 -1.00 0.00 0.00 179.01 178.13 1jfk h PHE 58 N 0.06 1.07 -0.22 4.33 3.04 0.22 0.36 116.94 125.80 1jfk h PHE 58 Ca 0.04 -0.36 -0.02 0.00 3.98 0.00 0.00 57.97 61.61 1jfk h PHE 58 Cb 0.09 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 1jfk h PHE 58 CO -0.00 1.18 0.05 0.00 -2.02 0.00 0.00 178.31 177.52 1jfk h ALA 59 N 0.70 0.29 -0.00 2.41 0.00 0.92 0.18 119.26 123.75 1jfk h ALA 59 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1jfk h ALA 59 Cb 1.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1jfk h ALA 59 CO 0.11 -0.06 -0.49 0.87 0.00 0.00 0.00 179.25 179.68 1jfk h LYS 60 N 0.16 0.01 -0.22 0.00 1.57 -1.22 -2.82 116.57 114.06 1jfk h LYS 60 Ca 0.07 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1jfk h LYS 60 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1jfk h LYS 60 CO 0.00 0.50 -0.46 0.35 -0.57 0.00 0.00 179.45 179.27 1jfk h PHE 61 N 0.01 0.70 -0.86 -1.35 3.04 0.14 -2.88 116.94 115.73 1jfk h PHE 61 Ca -0.00 -0.22 0.11 0.00 3.98 0.00 0.00 57.97 61.84 1jfk h PHE 61 Cb 0.88 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 39.17 1jfk h PHE 61 CO 0.00 0.93 0.49 -0.92 -2.02 0.00 0.00 178.31 176.79 1jfk h TYR 62 N 0.46 0.88 0.00 0.41 5.03 -0.38 -3.26 116.97 120.12 1jfk h TYR 62 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1jfk h TYR 62 Cb 0.99 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1jfk h TYR 62 CO 0.04 0.33 0.00 0.41 -1.32 0.00 0.00 178.16 177.62 1jfk n GLY 63 N -1.32 -0.71 0.19 1.82 0.00 -1.16 -5.05 105.19 98.96 1jfk n GLY 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jfk n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfk n SER 64 N -1.00 -0.06 0.00 1.61 7.64 -1.10 -5.03 113.62 115.68 1jfk n SER 64 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1jfk n SER 64 Cb 0.00 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1jfk n SER 64 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1jfk n ILE 65 N -1.81 0.00 -3.05 0.44 2.08 -1.26 -4.77 119.36 110.99 1jfk n ILE 65 Ca 0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 1jfk n ILE 65 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 1jfk n ILE 65 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1jfk n GLN 66 N -1.34 0.71 0.00 0.38 7.27 -1.26 -4.88 117.38 118.26 1jfk n GLN 66 Ca 0.00 -2.74 0.00 0.00 0.07 0.00 0.00 57.00 54.33 1jfk n GLN 66 Cb 0.00 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 31.34 1jfk n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jfk n GLY 67 N 1.56 2.18 3.48 1.69 0.00 -1.26 -5.16 105.19 107.68 1jfk n GLY 67 Ca 0.18 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.51 1jfk n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jfk s GLN 68 N 0.00 0.49 -0.12 1.61 1.03 -1.26 -4.62 119.66 116.79 1jfk s GLN 68 Ca 0.00 1.28 -0.06 0.00 0.04 0.00 0.00 55.36 56.62 1jfk s GLN 68 Cb 0.00 0.65 -0.02 0.00 0.03 0.00 0.00 33.01 33.67 1jfk s GLN 68 CO 0.00 -0.25 -0.12 0.22 -2.54 0.00 0.00 175.29 172.61 1jfk h ASP 69 N 8.06 0.00 -0.83 12.60 3.58 -2.01 -3.47 116.42 134.35 1jfk h ASP 69 Ca -0.17 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.29 1jfk h ASP 69 Cb 1.11 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.96 1jfk h ASP 69 CO 0.12 0.63 -0.35 -0.76 -2.88 0.00 0.00 179.24 176.00 1jfk s LEU 70 N -8.07 -1.30 0.35 2.28 1.43 -1.26 -5.01 118.68 107.09 1jfk s LEU 70 Ca -0.10 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1jfk s LEU 70 Cb 0.01 1.71 0.63 0.00 0.03 0.00 0.00 46.19 48.58 1jfk s LEU 70 CO 0.14 -0.18 1.97 0.28 0.23 0.00 0.00 176.35 178.80 1jfk h SER 71 N 7.05 0.66 -0.17 2.29 0.02 -1.98 -0.29 113.55 121.13 1jfk h SER 71 Ca 0.01 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1jfk h SER 71 Cb 1.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1jfk h SER 71 CO 0.07 0.53 0.11 -0.78 -1.14 0.00 0.00 176.83 175.63 1jfk h ASP 72 N 0.75 0.08 0.68 3.07 1.82 -1.99 0.27 116.42 121.09 1jfk h ASP 72 Ca 0.19 -0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.70 1jfk h ASP 72 Cb 0.03 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1jfk h ASP 72 CO -0.03 0.05 -0.65 -0.78 -1.61 0.00 0.00 179.24 176.22 1jfk h ASP 73 N 0.09 0.00 0.21 2.28 3.58 -1.47 -0.04 116.42 121.08 1jfk h ASP 73 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1jfk h ASP 73 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1jfk h ASP 73 CO -0.01 0.65 -0.10 0.11 -2.88 0.00 0.00 179.24 177.01 1jfk h LYS 74 N 0.00 -0.28 -0.67 0.28 6.56 -0.32 0.49 116.57 122.63 1jfk h LYS 74 Ca -0.01 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.65 1jfk h LYS 74 Cb 1.16 0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 32.85 1jfk h LYS 74 CO 0.08 0.06 0.44 0.97 -2.06 0.00 0.00 179.45 178.95 1jfk h ILE 75 N -0.95 1.07 -0.02 1.86 -0.00 -1.00 0.16 117.51 118.62 1jfk h ILE 75 Ca -0.03 -0.26 -0.13 0.00 -0.00 0.00 0.00 64.86 64.44 1jfk h ILE 75 Cb 0.47 0.24 -0.02 0.00 -0.00 0.00 0.00 36.82 37.51 1jfk h ILE 75 CO 0.05 0.14 -0.61 1.23 -0.00 0.00 0.00 178.15 178.96 1jfk h GLY 76 N 0.76 0.09 0.75 8.18 0.00 -1.02 -0.57 103.07 111.27 1jfk h GLY 76 Ca 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1jfk h GLY 76 CO -0.08 0.11 -0.04 1.41 0.00 0.00 0.00 176.54 177.93 1jfk h LEU 77 N 0.06 0.28 -0.70 3.11 3.38 0.10 0.16 115.31 121.71 1jfk h LEU 77 Ca -0.01 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1jfk h LEU 77 Cb 1.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1jfk h LEU 77 CO 0.08 0.60 -0.11 0.07 0.09 0.00 0.00 178.44 179.17 1jfk h LYS 78 N -0.03 0.90 0.28 1.13 2.10 -1.15 -0.11 116.57 119.69 1jfk h LYS 78 Ca 0.04 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 1jfk h LYS 78 Cb 0.48 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1jfk h LYS 78 CO 0.02 0.96 -0.14 0.28 -2.00 0.00 0.00 179.45 178.56 1jfk h VAL 79 N 0.80 0.71 0.59 0.07 2.07 -0.97 0.29 116.25 119.82 1jfk h VAL 79 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1jfk h VAL 79 Cb 0.63 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1jfk h VAL 79 CO 0.04 0.00 -0.39 -0.07 0.02 0.00 0.00 177.57 177.17 1jfk h LEU 80 N -0.39 -1.01 -1.80 2.57 3.38 -0.83 0.17 115.31 117.40 1jfk h LEU 80 Ca -0.04 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.24 1jfk h LEU 80 Cb 0.30 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1jfk h LEU 80 CO 0.06 -0.60 0.62 0.22 0.09 0.00 0.00 178.44 178.83 1jfk h TYR 81 N -0.94 0.22 -0.01 1.13 3.20 -0.92 0.85 116.97 120.49 1jfk h TYR 81 Ca -0.07 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.62 1jfk h TYR 81 Cb 0.78 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1jfk h TYR 81 CO -0.12 0.05 -0.81 -0.22 -1.64 0.00 0.00 178.16 175.42 1jfk h LYS 82 N 0.15 0.20 -0.00 1.82 3.11 0.56 -1.44 116.57 120.98 1jfk h LYS 82 Ca 0.45 -0.20 -0.00 0.00 -2.81 0.00 0.00 60.65 58.09 1jfk h LYS 82 Cb 1.50 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.78 1jfk h LYS 82 CO -0.08 0.90 -0.00 1.25 -2.81 0.00 0.00 179.45 178.71 1jfk h LEU 83 N 0.12 0.01 0.97 5.20 6.46 0.35 -3.33 115.31 125.08 1jfk h LEU 83 Ca -0.03 -0.55 -0.05 0.00 -0.12 0.00 0.00 57.88 57.13 1jfk h LEU 83 Cb 1.40 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.34 1jfk h LEU 83 CO 0.12 0.55 -0.49 0.24 -0.62 0.00 0.00 178.44 178.24 1jfk h MET 84 N -0.54 -1.29 -5.30 1.25 2.86 -0.62 -3.38 114.93 107.92 1jfk h MET 84 Ca 0.00 0.09 -0.24 0.00 -2.06 0.00 0.00 59.70 57.48 1jfk h MET 84 Cb 0.55 0.29 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1jfk h MET 84 CO 0.00 -0.86 1.01 -3.47 1.06 0.00 0.00 176.91 174.66 1jfk n ASP 85 N -5.67 1.12 -0.57 1.22 -0.08 -0.54 -4.61 116.55 107.42 1jfk n ASP 85 Ca -0.16 -0.88 0.09 0.00 -1.51 0.00 0.00 54.79 52.33 1jfk n ASP 85 Cb 0.53 -1.34 0.04 0.00 2.34 0.00 0.00 41.12 42.69 1jfk n ASP 85 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1jfk n VAL 86 N 7.81 0.00 0.09 5.18 3.14 -1.26 -4.24 118.33 129.05 1jfk n VAL 86 Ca 0.51 -0.41 -0.04 0.00 -2.96 0.00 0.00 64.34 61.43 1jfk n VAL 86 Cb 0.36 1.30 -0.02 0.00 -1.06 0.00 0.00 33.84 34.42 1jfk n VAL 86 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1jfk h ASP 87 N 2.81 0.00 -3.18 6.55 3.04 -1.96 -3.48 116.42 120.20 1jfk h ASP 87 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1jfk h ASP 87 Cb 0.69 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1jfk h ASP 87 CO 0.00 0.84 -0.00 0.61 -2.04 0.00 0.00 179.24 178.65 1jfk n GLY 88 N 1.00 -0.38 0.05 7.15 0.00 -1.26 -5.03 105.19 106.72 1jfk n GLY 88 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1jfk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfk n ASP 89 N -1.05 3.44 0.00 1.61 8.00 -1.26 -5.01 116.55 122.28 1jfk n ASP 89 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1jfk n ASP 89 Cb 0.49 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1jfk n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfk n GLY 90 N 3.19 2.59 3.44 0.44 0.00 -1.26 -4.99 105.19 108.60 1jfk n GLY 90 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1jfk n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfk s LYS 91 N -0.33 1.57 0.13 1.61 3.01 -1.26 -2.73 119.74 121.74 1jfk s LYS 91 Ca 0.00 -1.76 -0.06 0.00 -1.01 0.00 0.00 55.97 53.14 1jfk s LYS 91 Cb 0.00 -1.39 -0.02 0.00 -1.01 0.00 0.00 37.83 35.41 1jfk s LYS 91 CO 0.00 0.17 0.17 -0.48 0.51 0.00 0.00 175.35 175.71 1jfk s LEU 92 N -3.46 1.45 0.50 3.17 0.05 0.29 -4.99 118.68 115.69 1jfk s LEU 92 Ca 0.28 -0.93 0.02 0.00 0.05 0.00 0.00 54.13 53.55 1jfk s LEU 92 Cb 0.00 0.80 -0.01 0.00 -2.05 0.00 0.00 46.19 44.93 1jfk s LEU 92 CO 0.12 -0.78 0.02 0.42 -0.55 0.00 0.00 176.35 175.58 1jfk s THR 93 N -3.96 1.11 0.23 5.48 -4.23 -1.26 -0.04 115.64 112.96 1jfk s THR 93 Ca 0.15 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 1jfk s THR 93 Cb 0.05 -2.19 -0.08 0.00 1.34 0.00 0.00 72.50 71.62 1jfk s THR 93 CO -0.03 0.00 1.52 0.07 -0.54 0.00 0.00 174.62 175.64 1jfk h LYS 94 N 1.41 0.00 -0.05 3.99 2.10 -1.93 -0.51 116.57 121.57 1jfk h LYS 94 Ca -0.43 -0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.01 1jfk h LYS 94 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1jfk h LYS 94 CO 0.72 0.73 -0.85 1.49 -2.00 0.00 0.00 179.45 179.54 1jfk h GLU 95 N 0.00 0.49 -0.08 0.07 4.57 -1.96 -0.79 114.58 116.88 1jfk h GLU 95 Ca -0.01 -0.46 -0.21 0.00 -1.18 0.00 0.00 59.36 57.51 1jfk h GLU 95 Cb 1.29 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 30.00 1jfk h GLU 95 CO 0.09 1.09 -0.77 1.49 -1.18 0.00 0.00 179.01 179.74 1jfk h GLU 96 N 0.31 0.66 -0.32 1.92 4.81 -1.94 0.20 114.58 120.22 1jfk h GLU 96 Ca -0.06 -0.61 -0.04 0.00 -0.13 0.00 0.00 59.36 58.52 1jfk h GLU 96 Cb 1.46 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1jfk h GLU 96 CO 0.15 1.21 0.03 -0.24 -0.73 0.00 0.00 179.01 179.44 1jfk h VAL 97 N 0.33 1.24 0.00 0.32 3.04 -1.12 -0.88 116.25 119.18 1jfk h VAL 97 Ca -0.07 -0.87 -0.12 0.00 -1.01 0.00 0.00 66.70 64.62 1jfk h VAL 97 Cb 1.42 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 1jfk h VAL 97 CO 0.16 0.29 -0.57 0.00 -1.01 0.00 0.00 177.57 176.43 1jfk h THR 98 N 0.36 1.40 -0.37 3.17 1.03 -1.17 0.68 112.91 118.01 1jfk h THR 98 Ca 0.09 -1.96 -0.05 0.00 -0.01 0.00 0.00 66.41 64.49 1jfk h THR 98 Cb 0.39 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 69.51 1jfk h THR 98 CO 0.01 0.56 0.03 -1.28 -0.01 0.00 0.00 175.52 174.82 1jfk h SER 99 N 0.00 0.61 -0.01 0.00 0.87 -0.27 0.37 113.55 115.12 1jfk h SER 99 Ca -0.01 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1jfk h SER 99 Cb 1.01 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1jfk h SER 99 CO 0.07 0.75 -0.19 0.15 -0.53 0.00 0.00 176.83 177.08 1jfk h PHE 100 N 0.46 0.21 -0.92 2.24 3.57 -1.06 -3.30 116.94 118.14 1jfk h PHE 100 Ca 0.11 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jfk h PHE 100 Cb 0.42 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1jfk h PHE 100 CO 0.03 0.88 0.57 0.74 -2.23 0.00 0.00 178.31 178.31 1jfk h PHE 101 N -0.52 1.19 -1.31 0.41 0.04 -0.88 -1.65 116.94 114.22 1jfk h PHE 101 Ca -0.02 0.01 0.39 0.00 2.80 0.00 0.00 57.97 61.15 1jfk h PHE 101 Cb 0.93 -0.40 -0.09 0.00 2.20 0.00 0.00 35.95 38.59 1jfk h PHE 101 CO 0.18 0.78 0.89 -0.22 -0.60 0.00 0.00 178.31 179.33 1jfk h LYS 102 N 1.26 0.13 -0.99 1.51 3.11 -0.33 1.51 116.57 122.77 1jfk h LYS 102 Ca 0.33 -0.01 0.18 0.00 -2.81 0.00 0.00 60.65 58.35 1jfk h LYS 102 Cb -0.08 -0.03 -0.10 0.00 -1.00 0.00 0.00 32.23 31.02 1jfk h LYS 102 CO -0.07 0.08 0.61 -0.22 -2.81 0.00 0.00 179.45 177.05 1jfk h LYS 103 N 0.13 0.73 0.18 1.90 3.11 -1.41 -1.40 116.57 119.82 1jfk h LYS 103 Ca 0.72 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.51 1jfk h LYS 103 Cb 2.41 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 33.47 1jfk h LYS 103 CO -0.24 0.48 -0.08 0.45 -2.81 0.00 0.00 179.45 177.25 1jfk h HIS 104 N 0.75 -0.22 0.00 1.91 3.86 0.20 -3.48 115.15 118.18 1jfk h HIS 104 Ca 0.55 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1jfk h HIS 104 Cb 0.87 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1jfk h HIS 104 CO -0.00 0.20 0.00 0.41 0.86 0.00 0.00 177.93 179.39 1jfk n GLY 105 N 0.26 0.56 3.41 2.45 0.00 -0.53 -5.07 105.19 106.28 1jfk n GLY 105 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1jfk n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfk s ILE 106 N -1.53 5.07 0.17 -0.61 1.01 -1.26 -4.81 121.20 119.25 1jfk s ILE 106 Ca 0.00 -2.02 0.14 0.00 0.00 0.00 0.00 60.65 58.77 1jfk s ILE 106 Cb 0.00 -4.69 0.02 0.00 0.01 0.00 0.00 42.46 37.80 1jfk s ILE 106 CO 0.00 -1.37 1.60 1.05 0.00 0.00 0.00 174.94 176.23 1jfk h GLU 107 N 8.28 0.00 -1.32 2.79 4.11 -1.93 -3.05 114.58 123.45 1jfk h GLU 107 Ca 0.16 0.00 0.38 0.00 0.07 0.00 0.00 59.36 59.97 1jfk h GLU 107 Cb 1.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 1jfk h GLU 107 CO 1.01 0.56 1.01 1.57 0.07 0.00 0.00 179.01 183.23 1jfk h LYS 108 N 0.00 0.00 -0.66 1.06 2.10 -2.00 1.96 116.57 119.02 1jfk h LYS 108 Ca -0.01 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.70 1jfk h LYS 108 Cb 1.12 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 1jfk h LYS 108 CO 0.07 0.00 0.44 -0.24 -2.00 0.00 0.00 179.45 177.72 1jfk h VAL 109 N 0.00 1.02 -0.20 0.07 3.04 -1.95 0.25 116.25 118.48 1jfk h VAL 109 Ca 0.63 -0.24 -0.11 0.00 -1.01 0.00 0.00 66.70 65.97 1jfk h VAL 109 Cb 2.65 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 32.19 1jfk h VAL 109 CO -0.01 0.13 -0.37 0.00 -1.01 0.00 0.00 177.57 176.31 1jfk h ALA 110 N 1.64 1.00 -0.13 3.17 0.00 0.29 0.46 119.26 125.69 1jfk h ALA 110 Ca 0.28 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1jfk h ALA 110 Cb 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jfk h ALA 110 CO -0.09 0.60 -0.20 1.49 0.00 0.00 0.00 179.25 181.06 1jfk h GLU 111 N 0.36 0.36 -0.05 0.00 4.57 -0.69 0.15 114.58 119.28 1jfk h GLU 111 Ca 0.04 -0.22 -0.13 0.00 -1.18 0.00 0.00 59.36 57.88 1jfk h GLU 111 Cb 0.81 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1jfk h GLU 111 CO 0.07 0.80 -0.54 -0.56 -1.18 0.00 0.00 179.01 177.59 1jfk h GLN 112 N -0.05 0.16 -0.11 1.92 3.07 -0.54 -0.42 115.11 119.14 1jfk h GLN 112 Ca 0.01 -0.10 -0.20 0.00 0.09 0.00 0.00 58.65 58.45 1jfk h GLN 112 Cb 0.77 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.34 1jfk h GLN 112 CO 0.05 0.66 -0.75 0.28 0.09 0.00 0.00 178.83 179.16 1jfk h VAL 113 N 0.12 1.33 -0.16 1.86 2.07 -0.04 0.26 116.25 121.69 1jfk h VAL 113 Ca -0.00 -2.06 -0.17 0.00 0.82 0.00 0.00 66.70 65.30 1jfk h VAL 113 Cb 1.00 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1jfk h VAL 113 CO 0.08 0.63 -0.59 -0.03 0.02 0.00 0.00 177.57 177.68 1jfk h MET 114 N 0.40 0.52 -0.01 1.57 1.85 -0.51 -1.73 114.93 117.02 1jfk h MET 114 Ca -0.04 -0.35 -0.19 0.00 -0.61 0.00 0.00 59.70 58.51 1jfk h MET 114 Cb 1.35 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.42 1jfk h MET 114 CO 0.14 0.96 -0.84 0.87 -0.40 0.00 0.00 176.91 177.65 1jfk h LYS 115 N 0.39 0.26 -0.49 0.39 1.79 -1.04 -3.16 116.57 114.71 1jfk h LYS 115 Ca -0.00 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.14 1jfk h LYS 115 Cb 1.14 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1jfk h LYS 115 CO 0.11 0.96 0.03 0.00 -1.08 0.00 0.00 179.45 179.46 1jfk h ALA 116 N 0.96 0.66 -1.43 3.86 0.00 -0.83 -3.33 119.26 119.16 1jfk h ALA 116 Ca -0.04 -0.27 -0.70 0.00 0.00 0.00 0.00 54.91 53.90 1jfk h ALA 116 Cb 1.45 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1jfk h ALA 116 CO 0.13 0.45 1.54 0.34 0.00 0.00 0.00 179.25 181.71 1jfk s ASP 117 N -6.32 6.89 -0.41 0.00 -1.08 -0.66 -4.83 116.67 110.26 1jfk s ASP 117 Ca -0.12 -2.55 -0.04 0.00 -0.52 0.00 0.00 52.55 49.32 1jfk s ASP 117 Cb 0.12 -2.47 0.05 0.00 -1.46 0.00 0.00 42.92 39.16 1jfk s ASP 117 CO 0.82 -0.99 2.78 0.00 0.52 0.00 0.00 175.17 178.30 1jfk n ALA 118 N 6.89 6.35 -0.02 3.66 0.00 -1.25 -4.00 120.51 132.14 1jfk n ALA 118 Ca 0.38 -2.86 -0.05 0.00 0.00 0.00 0.00 53.44 50.91 1jfk n ALA 118 Cb 0.45 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 1jfk n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jfk n ASN 119 N 0.95 0.89 0.00 0.00 5.03 -1.26 -5.03 115.26 115.84 1jfk n ASN 119 Ca 0.47 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.97 1jfk n ASN 119 Cb 0.58 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 1jfk n ASN 119 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jfk n GLY 120 N 2.78 0.38 0.10 7.41 0.00 -1.26 -4.96 105.19 109.65 1jfk n GLY 120 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1jfk n GLY 120 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jfk h ASP 121 N 0.00 0.21 0.00 1.61 2.03 -1.96 -3.47 116.42 114.84 1jfk h ASP 121 Ca 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1jfk h ASP 121 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1jfk h ASP 121 CO 0.00 0.28 0.00 0.61 -1.03 0.00 0.00 179.24 179.10 1jfk n GLY 122 N -0.77 1.23 3.27 7.15 0.00 -1.26 -5.08 105.19 109.72 1jfk n GLY 122 Ca -0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1jfk n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jfk s TYR 123 N -2.00 -0.08 0.18 1.61 1.51 -1.26 -3.45 117.35 113.86 1jfk s TYR 123 Ca 0.00 -0.24 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 1jfk s TYR 123 Cb 0.00 0.14 0.01 0.00 -0.11 0.00 0.00 41.96 42.00 1jfk s TYR 123 CO 0.00 -0.62 0.42 0.96 -1.11 0.00 0.00 175.55 175.20 1jfk s ILE 124 N -3.63 0.04 0.50 2.71 -4.36 0.94 -4.97 121.20 112.43 1jfk s ILE 124 Ca 0.02 -1.03 0.02 0.00 -0.26 0.00 0.00 60.65 59.40 1jfk s ILE 124 Cb 0.02 -1.68 -0.01 0.00 1.25 0.00 0.00 42.46 42.04 1jfk s ILE 124 CO -0.10 -0.20 0.02 0.42 0.24 0.00 0.00 174.94 175.32 1jfk s THR 125 N -3.91 1.05 0.14 8.37 -4.23 -1.26 -0.55 115.64 115.25 1jfk s THR 125 Ca 0.12 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 1jfk s THR 125 Cb 0.01 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 71.61 1jfk s THR 125 CO -0.02 0.00 1.45 0.25 -0.54 0.00 0.00 174.62 175.77 1jfk h LEU 126 N 1.42 0.95 -0.52 4.79 5.85 -1.90 0.36 115.31 126.25 1jfk h LEU 126 Ca -0.42 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 57.74 1jfk h LEU 126 Cb 1.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1jfk h LEU 126 CO 0.71 1.26 0.02 -0.33 -0.34 0.00 0.00 178.44 179.77 1jfk h GLU 127 N 0.69 0.91 -0.02 1.25 5.08 -1.97 -0.50 114.58 120.03 1jfk h GLU 127 Ca 0.04 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 1jfk h GLU 127 Cb 1.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1jfk h GLU 127 CO 0.11 0.92 -0.76 1.49 -1.00 0.00 0.00 179.01 179.76 1jfk h GLU 128 N 0.78 0.16 -0.47 2.33 4.81 -1.94 -1.06 114.58 119.19 1jfk h GLU 128 Ca 0.15 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1jfk h GLU 128 Cb 0.50 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1jfk h GLU 128 CO 0.02 0.85 -0.17 0.35 -0.73 0.00 0.00 179.01 179.33 1jfk h PHE 129 N 0.10 1.04 0.16 0.92 3.04 -0.02 0.17 116.94 122.34 1jfk h PHE 129 Ca -0.02 -0.23 -0.01 0.00 3.98 0.00 0.00 57.97 61.69 1jfk h PHE 129 Cb 1.34 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.60 1jfk h PHE 129 CO 0.02 1.01 -0.08 1.25 -2.02 0.00 0.00 178.31 178.50 1jfk h LEU 130 N 0.81 -0.18 -2.00 0.59 6.46 -1.06 -3.22 115.31 116.70 1jfk h LEU 130 Ca 0.12 -0.28 0.13 0.00 -0.12 0.00 0.00 57.88 57.72 1jfk h LEU 130 Cb 0.72 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 1jfk h LEU 130 CO 0.06 0.39 0.32 -0.08 -0.62 0.00 0.00 178.44 178.50 1jfk h GLU 131 N -0.96 0.00 -0.67 1.25 4.22 -1.24 0.86 114.58 118.04 1jfk h GLU 131 Ca -0.02 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.44 1jfk h GLU 131 Cb 0.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1jfk h GLU 131 CO 0.04 0.00 0.45 0.35 -2.18 0.00 0.00 179.01 177.66 1jfk h PHE 132 N 0.00 0.81 -0.00 0.92 3.57 -0.67 -0.90 116.94 120.66 1jfk h PHE 132 Ca 0.21 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 1jfk h PHE 132 Cb 0.84 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1jfk h PHE 132 CO 0.00 0.49 -0.72 1.03 -2.23 0.00 0.00 178.31 176.88 1jfk h SER 133 N 0.85 0.03 0.00 0.41 0.87 -0.85 -3.51 113.55 111.35 1jfk h SER 133 Ca 0.26 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1jfk h SER 133 Cb -0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1jfk h SER 133 CO -0.07 0.74 0.00 0.18 -0.53 0.00 0.00 176.83 177.15