#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk0 s ILE 2 N 0.00 1.36 0.19 0.00 -1.09 -1.26 -5.02 121.20 115.37 1fk0 s ILE 2 Ca 0.00 -0.57 0.11 0.00 -2.23 0.00 0.00 60.65 57.96 1fk0 s ILE 2 Cb 0.00 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.59 1fk0 s ILE 2 CO 0.00 0.41 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.96 1fk0 s SER 3 N 0.94 3.24 0.55 3.58 1.04 -1.26 -4.83 113.70 116.95 1fk0 s SER 3 Ca -0.08 -0.86 0.32 0.00 0.48 0.00 0.00 55.95 55.81 1fk0 s SER 3 Cb -0.15 -0.23 1.52 0.00 0.10 0.00 0.00 66.02 67.26 1fk0 s SER 3 CO -0.00 0.08 2.06 0.00 0.98 0.00 0.00 173.24 176.36 1fk0 h GLY 5 N 1.29 0.45 0.69 0.00 0.00 -1.98 0.15 103.07 103.67 1fk0 h GLY 5 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1fk0 h GLY 5 CO 0.01 0.54 -0.03 -1.61 0.00 0.00 0.00 176.54 175.45 1fk0 h GLN 6 N 0.29 0.18 -0.03 4.80 4.15 -1.78 -1.51 115.11 121.22 1fk0 h GLN 6 Ca -0.02 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.34 1fk0 h GLN 6 Cb 1.25 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 1fk0 h GLN 6 CO 0.12 0.52 -0.08 0.28 -1.93 0.00 0.00 178.83 177.74 1fk0 h VAL 7 N -0.17 0.79 -0.58 2.39 2.07 -1.17 -1.91 116.25 117.67 1fk0 h VAL 7 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1fk0 h VAL 7 Cb 0.47 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1fk0 h VAL 7 CO 0.01 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.99 1fk0 h ALA 8 N 0.88 1.64 -0.06 1.67 0.00 -0.67 -1.73 119.26 120.99 1fk0 h ALA 8 Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1fk0 h ALA 8 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fk0 h ALA 8 CO -0.10 0.31 -0.76 0.77 0.00 0.00 0.00 179.25 179.47 1fk0 h SER 9 N 0.74 0.44 -0.43 0.00 0.02 -0.89 -1.63 113.55 111.80 1fk0 h SER 9 Ca 0.22 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 1fk0 h SER 9 Cb -0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1fk0 h SER 9 CO -0.05 1.05 -0.27 0.00 -1.14 0.00 0.00 176.83 176.41 1fk0 h ALA 10 N 0.94 0.62 -0.01 3.77 0.00 -0.80 -3.25 119.26 120.52 1fk0 h ALA 10 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1fk0 h ALA 10 Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1fk0 h ALA 10 CO 0.13 0.64 -0.14 0.44 0.00 0.00 0.00 179.25 180.32 1fk0 n ILE 11 N -4.12 0.00 -0.27 0.00 -5.35 -0.70 -4.08 119.36 104.83 1fk0 n ILE 11 Ca -0.01 -0.24 0.08 0.00 -0.27 0.00 0.00 62.75 62.31 1fk0 n ILE 11 Cb 0.48 0.66 0.23 0.00 -1.74 0.00 0.00 39.64 39.28 1fk0 n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fk0 h ALA 12 N 4.11 1.15 0.00 -1.28 0.00 -1.33 0.18 119.26 122.09 1fk0 h ALA 12 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fk0 h ALA 12 Cb 0.59 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1fk0 h ALA 12 CO 0.00 -0.31 0.00 -2.30 0.00 0.00 0.00 179.25 176.64 1fk0 n PRO 13 N -5.09 0.17 0.17 0.00 -0.02 -1.26 -2.44 135.00 126.53 1fk0 n PRO 13 Ca 0.17 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1fk0 n PRO 13 Cb 0.52 -1.90 0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1fk0 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fk0 h ILE 15 N 0.00 0.68 -0.94 0.00 1.08 -1.52 -1.37 117.51 115.44 1fk0 h ILE 15 Ca 0.00 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.47 1fk0 h ILE 15 Cb 0.98 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 35.06 1fk0 h ILE 15 CO 0.00 0.04 0.59 0.77 -0.69 0.00 0.00 178.15 178.87 1fk0 h SER 16 N 0.25 0.91 0.17 1.72 4.64 -1.80 -0.74 113.55 118.69 1fk0 h SER 16 Ca 0.28 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.46 1fk0 h SER 16 Cb 0.40 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1fk0 h SER 16 CO -0.37 0.55 -0.61 0.22 -0.87 0.00 0.00 176.83 175.75 1fk0 h TYR 17 N 1.03 0.57 0.00 4.77 3.20 -1.48 -0.50 116.97 124.55 1fk0 h TYR 17 Ca 0.43 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1fk0 h TYR 17 Cb 0.26 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1fk0 h TYR 17 CO -0.02 0.94 -0.01 0.00 -1.64 0.00 0.00 178.16 177.43 1fk0 h ALA 18 N 1.01 1.02 -0.01 1.82 0.00 -0.17 -1.25 119.26 121.68 1fk0 h ALA 18 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fk0 h ALA 18 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1fk0 h ALA 18 CO 0.11 0.01 -0.31 0.54 0.00 0.00 0.00 179.25 179.60 1fk0 n ARG 19 N -3.12 0.80 0.00 0.00 1.74 -0.39 0.62 116.66 116.31 1fk0 n ARG 19 Ca -0.01 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 1fk0 n ARG 19 Cb 0.18 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1fk0 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fk0 n GLY 20 N 1.36 0.77 3.81 -0.13 0.00 -0.47 -4.43 105.19 106.10 1fk0 n GLY 20 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1fk0 n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fk0 s GLN 21 N -0.74 4.16 0.00 1.61 -1.52 -0.24 -4.95 119.66 117.98 1fk0 s GLN 21 Ca 0.00 0.66 0.00 0.00 -1.95 0.00 0.00 55.36 54.07 1fk0 s GLN 21 Cb 0.00 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 1fk0 s GLN 21 CO 0.00 0.60 0.00 0.41 -0.25 0.00 0.00 175.29 176.05 1fk0 n GLY 22 N 1.90 -0.94 0.05 3.09 0.00 -1.26 -3.52 105.19 104.51 1fk0 n GLY 22 Ca -0.11 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.41 1fk0 n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fk0 n SER 23 N -1.48 0.66 -3.68 1.61 7.64 -1.26 -4.98 113.62 112.12 1fk0 n SER 23 Ca 0.00 0.05 0.02 0.00 1.01 0.00 0.00 58.87 59.95 1fk0 n SER 23 Cb 0.00 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1fk0 n SER 23 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1fk0 s GLY 24 N -3.57 -0.31 0.30 0.23 0.00 -1.26 -5.14 107.32 97.57 1fk0 s GLY 24 Ca 0.07 0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 1fk0 s GLY 24 CO 0.72 2.18 1.22 2.56 0.00 0.00 0.00 173.10 179.78 1fk0 s PRO 25 N -2.23 4.47 1.09 2.90 0.04 -1.26 -4.91 135.00 135.10 1fk0 s PRO 25 Ca 0.20 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 1fk0 s PRO 25 Cb 0.03 -3.12 0.24 0.00 0.04 0.00 0.00 34.50 31.68 1fk0 s PRO 25 CO -0.03 -0.03 1.08 -1.54 0.04 0.00 0.00 177.00 176.52 1fk0 s SER 26 N -0.60 1.80 0.22 6.66 1.04 -1.26 -4.82 113.70 116.74 1fk0 s SER 26 Ca 0.47 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 57.94 1fk0 s SER 26 Cb -0.36 -1.73 0.18 0.00 0.10 0.00 0.00 66.02 64.21 1fk0 s SER 26 CO 0.47 -3.63 1.82 0.00 0.98 0.00 0.00 173.24 172.88 1fk0 h ALA 27 N -2.24 1.08 -0.61 5.32 0.00 -1.98 -0.90 119.26 119.93 1fk0 h ALA 27 Ca -0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1fk0 h ALA 27 Cb 1.33 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1fk0 h ALA 27 CO 0.52 0.64 0.25 0.78 0.00 0.00 0.00 179.25 181.44 1fk0 h GLY 28 N 1.19 0.94 0.76 0.00 0.00 -1.95 0.40 103.07 104.41 1fk0 h GLY 28 Ca 0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1fk0 h GLY 28 CO -0.04 0.45 -0.04 0.00 0.00 0.00 0.00 176.54 176.90 1fk0 h SER 31 N 0.06 0.93 -0.41 0.00 0.87 -0.13 -2.02 113.55 112.85 1fk0 h SER 31 Ca 0.00 -0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.17 1fk0 h SER 31 Cb 0.75 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1fk0 h SER 31 CO 0.06 0.98 -0.32 1.23 -0.53 0.00 0.00 176.83 178.25 1fk0 h GLY 32 N 1.00 1.02 0.95 5.77 0.00 -0.74 -1.87 103.07 109.20 1fk0 h GLY 32 Ca 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1fk0 h GLY 32 CO 0.02 0.90 0.16 -2.08 0.00 0.00 0.00 176.54 175.55 1fk0 h VAL 33 N 0.77 1.14 -0.54 4.60 2.07 -1.08 -1.90 116.25 121.31 1fk0 h VAL 33 Ca 0.08 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1fk0 h VAL 33 Cb 0.91 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1fk0 h VAL 33 CO 0.08 0.15 -0.10 -0.09 0.02 0.00 0.00 177.57 177.63 1fk0 h ARG 34 N 0.38 1.01 -0.70 1.57 2.43 -1.35 -0.98 114.38 116.75 1fk0 h ARG 34 Ca 0.11 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1fk0 h ARG 34 Cb 0.09 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1fk0 h ARG 34 CO -0.02 1.06 0.46 1.03 -1.51 0.00 0.00 179.97 180.99 1fk0 h SER 35 N 0.89 0.78 -0.52 -3.80 0.87 -1.24 0.18 113.55 110.72 1fk0 h SER 35 Ca 0.14 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1fk0 h SER 35 Cb 0.67 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1fk0 h SER 35 CO 0.05 0.56 0.07 0.25 -0.53 0.00 0.00 176.83 177.23 1fk0 h LEU 36 N 0.93 0.83 -0.84 2.23 5.85 -1.21 0.06 115.31 123.16 1fk0 h LEU 36 Ca 0.26 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1fk0 h LEU 36 Cb -0.08 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1fk0 h LEU 36 CO -0.07 0.89 0.43 -1.13 -0.34 0.00 0.00 178.44 178.22 1fk0 h ASN 37 N 0.74 1.07 -0.28 1.25 -0.00 -0.45 -1.19 115.58 116.73 1fk0 h ASN 37 Ca 0.16 -0.12 -0.08 0.00 -0.00 0.00 0.00 56.30 56.26 1fk0 h ASN 37 Cb 0.42 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.44 1fk0 h ASN 37 CO 0.01 0.89 -0.08 0.78 -0.00 0.00 0.00 177.43 179.03 1fk0 h ASN 38 N 1.18 0.66 -0.12 1.15 -0.26 -0.29 -3.13 115.58 114.77 1fk0 h ASN 38 Ca 0.29 -0.17 -0.18 0.00 -0.56 0.00 0.00 56.30 55.67 1fk0 h ASN 38 Cb 0.08 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1fk0 h ASN 38 CO -0.04 0.78 -0.60 0.00 -1.06 0.00 0.00 177.43 176.51 1fk0 h ALA 39 N 1.29 0.53 -0.95 -0.83 0.00 -0.22 -3.40 119.26 115.67 1fk0 h ALA 39 Ca 0.11 -0.54 -0.47 0.00 0.00 0.00 0.00 54.91 54.02 1fk0 h ALA 39 Cb 0.51 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1fk0 h ALA 39 CO 0.03 0.69 1.18 0.00 0.00 0.00 0.00 179.25 181.15 1fk0 s ALA 40 N -3.99 2.27 -0.65 0.00 0.00 -0.52 -4.82 121.76 114.05 1fk0 s ALA 40 Ca -0.09 -1.94 0.22 0.00 0.00 0.00 0.00 51.96 50.15 1fk0 s ALA 40 Cb 0.10 -4.54 -0.15 0.00 0.00 0.00 0.00 23.12 18.53 1fk0 s ALA 40 CO 0.87 -4.12 0.85 0.54 0.00 0.00 0.00 175.76 173.90 1fk0 n ARG 41 N 8.88 0.24 -4.42 0.00 1.74 -1.26 -4.74 116.66 117.10 1fk0 n ARG 41 Ca 0.36 -0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 57.19 1fk0 n ARG 41 Cb 0.49 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 1fk0 n ARG 41 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1fk0 s THR 42 N -3.18 1.20 0.17 0.55 -4.23 -1.26 -5.03 115.64 103.85 1fk0 s THR 42 Ca 0.03 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1fk0 s THR 42 Cb 0.15 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.40 1fk0 s THR 42 CO 0.85 -0.11 1.75 0.74 -0.54 0.00 0.00 174.62 177.32 1fk0 h THR 43 N 2.22 0.86 -0.59 3.99 2.02 -1.95 -1.06 112.91 118.40 1fk0 h THR 43 Ca -0.40 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1fk0 h THR 43 Cb 1.24 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1fk0 h THR 43 CO 0.68 0.06 0.33 0.00 0.37 0.00 0.00 175.52 176.96 1fk0 h ALA 44 N 1.29 0.77 -0.41 6.16 0.00 -1.96 0.17 119.26 125.27 1fk0 h ALA 44 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1fk0 h ALA 44 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1fk0 h ALA 44 CO -0.21 0.02 0.06 -0.44 0.00 0.00 0.00 179.25 178.68 1fk0 h ASP 45 N 0.64 0.66 -0.46 0.00 3.45 -1.90 -1.72 116.42 117.08 1fk0 h ASP 45 Ca 0.25 -0.26 -0.08 0.00 0.43 0.00 0.00 57.03 57.37 1fk0 h ASP 45 Cb 0.11 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1fk0 h ASP 45 CO -0.14 0.75 0.01 0.03 -1.57 0.00 0.00 179.24 178.32 1fk0 h ARG 46 N 0.53 0.87 -0.06 3.56 3.08 -0.79 -0.76 114.38 120.82 1fk0 h ARG 46 Ca 0.12 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1fk0 h ARG 46 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1fk0 h ARG 46 CO 0.01 0.87 -0.61 0.00 -1.07 0.00 0.00 179.97 179.16 1fk0 h ARG 47 N 0.81 0.22 -0.14 0.04 3.08 -0.59 -1.37 114.38 116.43 1fk0 h ARG 47 Ca 0.16 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1fk0 h ARG 47 Cb 0.47 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1fk0 h ARG 47 CO 0.02 0.76 -0.10 0.00 -1.07 0.00 0.00 179.97 179.58 1fk0 h ALA 48 N 1.20 0.20 -0.79 0.04 0.00 -1.23 -1.95 119.26 116.73 1fk0 h ALA 48 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1fk0 h ALA 48 Cb 1.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1fk0 h ALA 48 CO 0.09 0.03 0.52 0.00 0.00 0.00 0.00 179.25 179.90 1fk0 h ALA 49 N 0.63 1.51 -0.33 0.00 0.00 -1.07 -1.21 119.26 118.79 1fk0 h ALA 49 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1fk0 h ALA 49 Cb 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1fk0 h ALA 49 CO 0.03 0.42 0.16 0.00 0.00 0.00 0.00 179.25 179.86 1fk0 h ASN 51 N 0.34 0.89 -0.53 0.00 2.35 -0.75 0.08 115.58 117.97 1fk0 h ASN 51 Ca 0.14 -0.34 -0.10 0.00 -0.55 0.00 0.00 56.30 55.45 1fk0 h ASN 51 Cb 0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1fk0 h ASN 51 CO -0.10 1.02 -0.04 0.00 -1.65 0.00 0.00 177.43 176.66 1fk0 h LEU 53 N 0.90 0.71 -0.90 0.00 3.38 -0.18 -1.06 115.31 118.15 1fk0 h LEU 53 Ca 0.16 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1fk0 h LEU 53 Cb 0.58 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1fk0 h LEU 53 CO 0.04 1.00 -0.02 0.50 0.09 0.00 0.00 178.44 180.04 1fk0 h LYS 54 N 0.56 0.78 -0.34 1.13 3.64 -0.82 -0.78 116.57 120.75 1fk0 h LYS 54 Ca 0.06 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 59.05 1fk0 h LYS 54 Cb 0.87 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1fk0 h LYS 54 CO 0.08 0.80 -0.44 -0.97 -2.27 0.00 0.00 179.45 176.65 1fk0 h ASN 55 N 0.73 0.95 -0.61 4.20 -0.73 -1.29 -2.50 115.58 116.33 1fk0 h ASN 55 Ca 0.14 -0.46 -0.03 0.00 1.87 0.00 0.00 56.30 57.82 1fk0 h ASN 55 Cb 0.48 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1fk0 h ASN 55 CO 0.02 1.25 0.24 0.00 -0.37 0.00 0.00 177.43 178.57 1fk0 h ALA 56 N 0.79 0.79 -0.40 1.57 0.00 -0.86 -2.96 119.26 118.18 1fk0 h ALA 56 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1fk0 h ALA 56 Cb 1.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1fk0 h ALA 56 CO 0.10 0.40 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 1fk0 h ALA 57 N 1.09 0.85 0.00 0.00 0.00 -1.05 -3.06 119.26 117.10 1fk0 h ALA 57 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1fk0 h ALA 57 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fk0 h ALA 57 CO -0.02 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1fk0 n ALA 58 N -2.50 1.97 -0.45 0.00 0.00 -0.95 -3.36 120.51 115.21 1fk0 n ALA 58 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1fk0 n ALA 58 Cb 0.44 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 18.75 1fk0 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk0 n GLY 59 N 0.63 3.17 3.52 0.00 0.00 -1.13 -4.91 105.19 106.47 1fk0 n GLY 59 Ca 0.06 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1fk0 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk0 s VAL 60 N -1.61 4.34 0.03 1.61 1.01 -1.21 -5.00 120.40 119.57 1fk0 s VAL 60 Ca 0.30 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1fk0 s VAL 60 Cb 0.20 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1fk0 s VAL 60 CO 0.14 -1.17 1.17 -0.94 0.00 0.00 0.00 175.10 174.30 1fk0 s SER 61 N 2.93 7.11 0.00 3.32 1.04 -1.26 -2.05 113.70 124.80 1fk0 s SER 61 Ca 0.31 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.68 1fk0 s SER 61 Cb -0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1fk0 s SER 61 CO 0.19 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1fk0 n GLY 62 N 3.20 0.67 3.58 7.32 0.00 -1.26 -4.93 105.19 113.77 1fk0 n GLY 62 Ca 0.09 -0.37 -0.58 0.00 0.00 0.00 0.00 46.02 45.16 1fk0 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fk0 n LEU 63 N 0.00 0.85 -4.22 0.99 7.94 -0.87 -4.46 117.00 117.23 1fk0 n LEU 63 Ca 0.00 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 1fk0 n LEU 63 Cb 0.00 -1.01 -0.07 0.00 0.53 0.00 0.00 43.42 42.86 1fk0 n LEU 63 CO 0.00 -1.38 0.06 0.21 -1.11 0.00 0.00 177.39 175.16 1fk0 s ASN 64 N 0.87 5.82 0.30 1.96 3.04 0.20 -4.95 114.94 122.19 1fk0 s ASN 64 Ca 0.92 -2.12 0.03 0.00 0.04 0.00 0.00 52.86 51.74 1fk0 s ASN 64 Cb -1.19 -2.03 0.63 0.00 -1.54 0.00 0.00 41.25 37.11 1fk0 s ASN 64 CO 0.58 -0.66 1.85 0.00 -3.04 0.00 0.00 177.10 175.84 1fk0 h ALA 65 N 8.23 1.61 -0.24 1.71 0.00 -1.92 -0.86 119.26 127.79 1fk0 h ALA 65 Ca -0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fk0 h ALA 65 Cb 1.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1fk0 h ALA 65 CO 0.85 0.15 0.14 0.78 0.00 0.00 0.00 179.25 181.17 1fk0 h GLY 66 N 0.91 0.36 0.91 0.00 0.00 -1.94 -2.18 103.07 101.14 1fk0 h GLY 66 Ca 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1fk0 h GLY 66 CO -0.24 0.15 0.11 3.43 0.00 0.00 0.00 176.54 179.99 1fk0 h ASN 67 N 0.29 0.33 -0.45 0.19 4.21 -1.72 -2.99 115.58 115.43 1fk0 h ASN 67 Ca 0.09 -0.14 0.05 0.00 1.21 0.00 0.00 56.30 57.51 1fk0 h ASN 67 Cb 0.05 -0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.12 1fk0 h ASN 67 CO -0.01 0.38 0.18 0.00 -1.29 0.00 0.00 177.43 176.68 1fk0 h ALA 68 N 0.96 0.55 0.00 -0.83 0.00 -1.02 -2.43 119.26 116.49 1fk0 h ALA 68 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1fk0 h ALA 68 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fk0 h ALA 68 CO -0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 179.25 178.92 1fk0 h ALA 69 N 1.28 1.16 -0.00 0.00 0.00 -1.40 -2.90 119.26 117.40 1fk0 h ALA 69 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fk0 h ALA 69 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fk0 h ALA 69 CO -0.19 0.15 -0.39 -1.13 0.00 0.00 0.00 179.25 177.69 1fk0 n SER 70 N -3.46 0.68 -0.03 0.00 3.41 -0.93 -4.45 113.62 108.85 1fk0 n SER 70 Ca -0.01 -0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 58.03 1fk0 n SER 70 Cb 0.28 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1fk0 n SER 70 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1fk0 h ILE 71 N 0.47 0.83 -0.48 -1.33 2.04 -1.40 -0.50 117.51 117.14 1fk0 h ILE 71 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1fk0 h ILE 71 Cb 0.50 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1fk0 h ILE 71 CO 0.00 0.00 0.31 -0.65 0.00 0.00 0.00 178.15 177.82 1fk0 h PRO 72 N 0.01 0.63 -0.66 2.37 0.11 -1.82 -1.24 132.00 131.41 1fk0 h PRO 72 Ca 0.09 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 1fk0 h PRO 72 Cb 0.13 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1fk0 h PRO 72 CO -0.18 0.42 0.14 0.66 -0.21 0.00 0.00 178.00 178.84 1fk0 h SER 73 N 0.65 1.02 0.82 -2.05 4.64 -1.65 -0.47 113.55 116.49 1fk0 h SER 73 Ca 0.17 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1fk0 h SER 73 Cb -0.07 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 1fk0 h SER 73 CO -0.04 1.00 -0.25 0.11 -0.87 0.00 0.00 176.83 176.78 1fk0 h LYS 74 N 0.99 0.00 -0.10 4.77 1.57 -0.92 -2.32 116.57 120.56 1fk0 h LYS 74 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1fk0 h LYS 74 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1fk0 h LYS 74 CO 0.01 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 1fk0 n GLY 76 N 1.24 0.66 3.62 0.00 0.00 -0.77 -4.96 105.19 104.98 1fk0 n GLY 76 Ca 0.17 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1fk0 n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fk0 s VAL 77 N -2.09 4.15 -0.24 1.61 -7.23 -0.26 -5.01 120.40 111.33 1fk0 s VAL 77 Ca 0.00 -0.30 -0.08 0.00 -1.81 0.00 0.00 61.98 59.79 1fk0 s VAL 77 Cb 0.00 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1fk0 s VAL 77 CO 0.00 0.57 0.09 -0.44 -0.31 0.00 0.00 175.10 175.01 1fk0 s SER 78 N -0.55 5.33 0.13 4.85 0.01 -1.26 -3.96 113.70 118.25 1fk0 s SER 78 Ca 0.09 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.32 1fk0 s SER 78 Cb -0.12 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1fk0 s SER 78 CO 0.02 -0.01 -0.26 0.27 0.41 0.00 0.00 173.24 173.68 1fk0 s ILE 79 N 1.45 2.18 -1.58 1.44 -4.36 -1.26 -5.05 121.20 114.02 1fk0 s ILE 79 Ca 0.06 -1.74 0.24 0.00 -0.26 0.00 0.00 60.65 58.96 1fk0 s ILE 79 Cb -0.15 -1.93 0.50 0.00 1.25 0.00 0.00 42.46 42.13 1fk0 s ILE 79 CO 0.04 0.06 1.82 -0.81 0.24 0.00 0.00 174.94 176.29 1fk0 n PRO 80 N 0.92 0.46 -4.11 0.37 -0.04 -1.26 -4.84 135.00 126.50 1fk0 n PRO 80 Ca -0.18 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 1fk0 n PRO 80 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1fk0 n PRO 80 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1fk0 s TYR 81 N -2.42 0.61 -0.17 0.54 1.13 -1.26 -5.14 117.35 110.63 1fk0 s TYR 81 Ca 0.27 -1.04 -0.15 0.00 -1.41 0.00 0.00 57.07 54.73 1fk0 s TYR 81 Cb 0.17 -0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1fk0 s TYR 81 CO 0.35 -0.34 0.35 0.99 -2.51 0.00 0.00 175.55 174.39 1fk0 s THR 82 N -3.86 5.25 -0.14 -3.49 2.01 -1.26 -5.03 115.64 109.12 1fk0 s THR 82 Ca 0.08 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1fk0 s THR 82 Cb 0.07 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1fk0 s THR 82 CO -0.09 0.33 1.69 -0.63 -0.69 0.00 0.00 174.62 175.23 1fk0 s ILE 83 N 0.81 3.57 0.16 1.82 1.01 -1.26 -4.71 121.20 122.60 1fk0 s ILE 83 Ca 0.18 0.66 -0.18 0.00 0.00 0.00 0.00 60.65 61.32 1fk0 s ILE 83 Cb -0.14 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.85 1fk0 s ILE 83 CO 0.06 -0.16 0.49 -0.55 0.00 0.00 0.00 174.94 174.78 1fk0 s SER 84 N 4.15 -0.32 0.00 3.58 0.15 -1.26 -4.93 113.70 115.06 1fk0 s SER 84 Ca 0.75 -0.30 0.12 0.00 0.70 0.00 0.00 55.95 57.22 1fk0 s SER 84 Cb -0.30 0.54 0.54 0.00 -1.71 0.00 0.00 66.02 65.09 1fk0 s SER 84 CO 0.30 -0.95 1.39 0.35 1.20 0.00 0.00 173.24 175.53 1fk0 n THR 85 N -0.30 1.11 0.76 6.45 -2.24 -1.26 -2.18 114.28 116.61 1fk0 n THR 85 Ca -0.14 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1fk0 n THR 85 Cb 0.64 -1.06 0.13 0.00 -2.10 0.00 0.00 70.33 67.94 1fk0 n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1fk0 n SER 86 N -1.48 0.62 -4.72 3.42 7.64 -1.26 -4.93 113.62 112.90 1fk0 n SER 86 Ca 0.03 -0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.30 1fk0 n SER 86 Cb 0.14 0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1fk0 n SER 86 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fk0 s THR 87 N -3.10 2.04 -0.54 0.44 2.01 -0.93 -4.95 115.64 110.60 1fk0 s THR 87 Ca 0.07 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 1fk0 s THR 87 Cb 0.15 -3.02 0.11 0.00 0.01 0.00 0.00 72.50 69.76 1fk0 s THR 87 CO 0.75 0.00 0.53 -0.62 -0.69 0.00 0.00 174.62 174.59 1fk0 s ASP 88 N 1.10 6.18 0.21 3.53 3.68 -1.26 -4.91 116.67 125.19 1fk0 s ASP 88 Ca 0.73 -1.62 0.20 0.00 2.13 0.00 0.00 52.55 53.99 1fk0 s ASP 88 Cb -0.49 -2.23 0.89 0.00 -1.45 0.00 0.00 42.92 39.64 1fk0 s ASP 88 CO 0.34 -0.88 1.61 0.00 0.13 0.00 0.00 175.17 176.38 1fk0 h SER 90 N 0.00 0.00 0.33 0.00 0.87 -1.93 -2.99 113.55 109.83 1fk0 h SER 90 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fk0 h SER 90 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1fk0 h SER 90 CO 0.00 0.43 -0.43 -2.11 -0.53 0.00 0.00 176.83 174.20 1fk0 n ARG 91 N -3.62 0.42 -1.86 2.24 1.85 -0.55 -4.92 116.66 110.22 1fk0 n ARG 91 Ca -0.01 -0.26 -0.42 0.00 -1.00 0.00 0.00 57.85 56.16 1fk0 n ARG 91 Cb 0.53 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1fk0 n ARG 91 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1fk0 s VAL 92 N -2.76 3.07 0.00 8.89 1.01 -1.13 -5.12 120.40 124.37 1fk0 s VAL 92 Ca 0.17 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1fk0 s VAL 92 Cb 0.18 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1fk0 s VAL 92 CO 0.63 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.30