#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk4 s ILE 2 N 0.00 2.57 0.24 0.00 -1.09 -1.26 -5.07 121.20 116.59 1fk4 s ILE 2 Ca 0.00 -0.81 0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1fk4 s ILE 2 Cb 0.00 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1fk4 s ILE 2 CO 0.00 0.53 -0.18 -0.94 -1.23 0.00 0.00 174.94 173.11 1fk4 s SER 3 N 0.68 3.19 0.49 3.58 1.04 -1.26 -4.85 113.70 116.57 1fk4 s SER 3 Ca -0.08 -1.00 0.27 0.00 0.48 0.00 0.00 55.95 55.62 1fk4 s SER 3 Cb -0.16 -0.23 1.23 0.00 0.10 0.00 0.00 66.02 66.96 1fk4 s SER 3 CO 0.02 -0.02 1.96 0.00 0.98 0.00 0.00 173.24 176.18 1fk4 h GLY 5 N 1.49 0.29 0.67 0.00 0.00 -1.98 0.87 103.07 104.40 1fk4 h GLY 5 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1fk4 h GLY 5 CO 0.02 0.36 -0.00 -1.61 0.00 0.00 0.00 176.54 175.31 1fk4 h GLN 6 N 0.18 -0.01 -0.34 4.80 4.15 -1.86 -2.01 115.11 120.03 1fk4 h GLN 6 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1fk4 h GLN 6 Cb 1.25 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1fk4 h GLN 6 CO 0.11 0.32 0.20 0.28 -1.93 0.00 0.00 178.83 177.81 1fk4 h VAL 7 N -0.34 1.04 -0.82 2.39 2.07 -1.22 -2.36 116.25 117.02 1fk4 h VAL 7 Ca -0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1fk4 h VAL 7 Cb 0.33 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1fk4 h VAL 7 CO 0.00 0.08 0.54 0.00 0.02 0.00 0.00 177.57 178.21 1fk4 h ALA 8 N 1.15 1.04 -0.38 1.67 0.00 -0.80 -1.91 119.26 120.01 1fk4 h ALA 8 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1fk4 h ALA 8 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1fk4 h ALA 8 CO -0.06 0.44 -0.20 0.77 0.00 0.00 0.00 179.25 180.20 1fk4 h SER 9 N 1.10 0.74 -0.32 0.00 0.02 -1.20 -1.50 113.55 112.39 1fk4 h SER 9 Ca 0.30 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1fk4 h SER 9 Cb -0.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1fk4 h SER 9 CO -0.07 0.93 -0.06 0.00 -1.14 0.00 0.00 176.83 176.49 1fk4 h ALA 10 N 1.13 0.44 -0.01 3.77 0.00 -0.93 -3.27 119.26 120.39 1fk4 h ALA 10 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1fk4 h ALA 10 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1fk4 h ALA 10 CO 0.05 0.26 -0.13 0.44 0.00 0.00 0.00 179.25 179.88 1fk4 n ILE 11 N -4.46 0.00 -0.28 0.00 -5.35 -0.76 -4.23 119.36 104.26 1fk4 n ILE 11 Ca -0.02 -0.14 0.09 0.00 -0.27 0.00 0.00 62.75 62.40 1fk4 n ILE 11 Cb 0.32 0.26 0.24 0.00 -1.74 0.00 0.00 39.64 38.71 1fk4 n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fk4 h ALA 12 N 3.89 1.24 0.00 -1.28 0.00 -1.32 0.36 119.26 122.15 1fk4 h ALA 12 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fk4 h ALA 12 Cb 0.44 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fk4 h ALA 12 CO 0.00 -0.25 0.00 -1.35 0.00 0.00 0.00 179.25 177.65 1fk4 h PRO 13 N 0.44 0.00 0.00 0.00 0.11 -1.83 -2.80 132.00 127.92 1fk4 h PRO 13 Ca 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.58 1fk4 h PRO 13 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1fk4 h PRO 13 CO -0.46 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.23 1fk4 h ILE 15 N 0.00 0.82 -0.72 0.00 1.08 -1.52 -1.15 117.51 116.02 1fk4 h ILE 15 Ca -0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1fk4 h ILE 15 Cb 1.04 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 1fk4 h ILE 15 CO 0.01 0.11 0.43 0.77 -0.69 0.00 0.00 178.15 178.78 1fk4 h SER 16 N 0.63 0.86 0.16 1.72 4.64 -1.80 -0.45 113.55 119.30 1fk4 h SER 16 Ca 0.39 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 1fk4 h SER 16 Cb 0.45 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1fk4 h SER 16 CO -0.30 0.66 -0.72 0.22 -0.87 0.00 0.00 176.83 175.83 1fk4 h TYR 17 N 0.99 0.65 0.00 4.77 3.20 -1.48 0.21 116.97 125.32 1fk4 h TYR 17 Ca 0.26 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1fk4 h TYR 17 Cb -0.03 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1fk4 h TYR 17 CO 0.00 1.05 -0.05 0.00 -1.64 0.00 0.00 178.16 177.53 1fk4 h ALA 18 N 0.87 1.15 -0.01 1.82 0.00 -0.09 -0.60 119.26 122.40 1fk4 h ALA 18 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fk4 h ALA 18 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1fk4 h ALA 18 CO 0.13 0.06 -0.08 0.54 0.00 0.00 0.00 179.25 179.90 1fk4 n ARG 19 N -3.35 1.50 -0.02 0.00 1.74 -0.29 0.12 116.66 116.36 1fk4 n ARG 19 Ca -0.02 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 1fk4 n ARG 19 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1fk4 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fk4 n GLY 20 N 1.24 0.99 3.77 -0.13 0.00 -0.23 -4.50 105.19 106.32 1fk4 n GLY 20 Ca 0.17 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1fk4 n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fk4 s GLN 21 N -0.85 3.72 0.00 1.61 0.74 0.03 -4.98 119.66 119.93 1fk4 s GLN 21 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.19 1fk4 s GLN 21 Cb 0.00 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1fk4 s GLN 21 CO 0.00 0.53 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 1fk4 n GLY 22 N 2.76 0.34 0.09 2.59 0.00 -1.26 -3.53 105.19 106.17 1fk4 n GLY 22 Ca -0.18 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.21 1fk4 n GLY 22 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fk4 h SER 23 N 0.00 0.00 -5.74 1.61 0.02 -1.99 -3.49 113.55 103.96 1fk4 h SER 23 Ca 0.00 -0.13 0.31 0.00 -0.84 0.00 0.00 61.79 61.13 1fk4 h SER 23 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1fk4 h SER 23 CO 0.00 0.06 0.82 -0.83 -1.14 0.00 0.00 176.83 175.74 1fk4 s GLY 24 N -3.72 -0.23 0.39 -3.77 0.00 -1.26 -5.14 107.32 93.59 1fk4 s GLY 24 Ca 0.07 0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.81 1fk4 s GLY 24 CO 0.69 2.63 1.20 2.56 0.00 0.00 0.00 173.10 180.18 1fk4 s PRO 25 N -2.27 4.10 0.87 2.90 0.04 -1.26 -4.92 135.00 134.47 1fk4 s PRO 25 Ca 0.21 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1fk4 s PRO 25 Cb 0.02 -2.76 0.11 0.00 0.04 0.00 0.00 34.50 31.91 1fk4 s PRO 25 CO -0.01 -0.31 1.11 -1.54 0.04 0.00 0.00 177.00 176.29 1fk4 s SER 26 N -0.98 3.81 0.23 6.66 1.04 -1.26 -4.83 113.70 118.37 1fk4 s SER 26 Ca 0.55 1.22 -0.07 0.00 0.48 0.00 0.00 55.95 58.14 1fk4 s SER 26 Cb -0.33 -1.89 0.29 0.00 0.10 0.00 0.00 66.02 64.19 1fk4 s SER 26 CO 0.42 -2.39 1.83 0.00 0.98 0.00 0.00 173.24 174.08 1fk4 h ALA 27 N -1.38 1.05 -0.95 5.32 0.00 -1.98 -1.39 119.26 119.93 1fk4 h ALA 27 Ca -0.49 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1fk4 h ALA 27 Cb 1.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1fk4 h ALA 27 CO 0.59 0.18 0.61 0.78 0.00 0.00 0.00 179.25 181.42 1fk4 h GLY 28 N 0.85 1.35 0.77 0.00 0.00 -1.95 0.16 103.07 104.24 1fk4 h GLY 28 Ca 0.34 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1fk4 h GLY 28 CO -0.17 0.51 -0.06 0.00 0.00 0.00 0.00 176.54 176.81 1fk4 h SER 31 N 0.49 1.02 -0.39 0.00 0.87 -0.60 -1.22 113.55 113.72 1fk4 h SER 31 Ca 0.11 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 1fk4 h SER 31 Cb 0.23 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1fk4 h SER 31 CO 0.00 0.87 -0.30 1.23 -0.53 0.00 0.00 176.83 178.10 1fk4 h GLY 32 N 1.09 0.97 0.98 5.77 0.00 -0.64 -1.57 103.07 109.67 1fk4 h GLY 32 Ca 0.26 -0.95 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1fk4 h GLY 32 CO -0.03 0.86 0.25 -2.08 0.00 0.00 0.00 176.54 175.53 1fk4 h VAL 33 N 0.71 1.21 -0.50 4.60 2.07 -1.02 -1.79 116.25 121.53 1fk4 h VAL 33 Ca 0.07 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 1fk4 h VAL 33 Cb 0.88 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1fk4 h VAL 33 CO 0.08 0.25 -0.12 -0.09 0.02 0.00 0.00 177.57 177.70 1fk4 h ARG 34 N 0.76 0.96 -0.25 1.57 2.43 -1.13 -1.08 114.38 117.64 1fk4 h ARG 34 Ca 0.19 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1fk4 h ARG 34 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1fk4 h ARG 34 CO -0.02 1.04 -0.16 0.66 -1.51 0.00 0.00 179.97 179.98 1fk4 h SER 35 N 0.82 0.41 -0.30 -3.80 4.64 -1.08 -0.84 113.55 113.39 1fk4 h SER 35 Ca 0.13 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1fk4 h SER 35 Cb 0.69 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1fk4 h SER 35 CO 0.05 0.60 -0.01 0.25 -0.87 0.00 0.00 176.83 176.85 1fk4 h LEU 36 N 0.39 0.53 -1.22 5.97 5.85 -1.14 0.09 115.31 125.78 1fk4 h LEU 36 Ca 0.07 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1fk4 h LEU 36 Cb 0.51 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1fk4 h LEU 36 CO 0.03 0.71 0.54 -1.13 -0.34 0.00 0.00 178.44 178.25 1fk4 h ASN 37 N 0.33 0.89 1.31 1.25 -0.00 -0.66 -1.76 115.58 116.93 1fk4 h ASN 37 Ca 0.09 -0.01 -0.10 0.00 -0.00 0.00 0.00 56.30 56.27 1fk4 h ASN 37 Cb 0.44 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.54 1fk4 h ASN 37 CO 0.02 0.62 -0.49 0.78 -0.00 0.00 0.00 177.43 178.36 1fk4 h ASN 38 N 1.04 0.00 0.73 1.15 -0.26 -0.70 -3.22 115.58 114.32 1fk4 h ASN 38 Ca 0.32 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.91 1fk4 h ASN 38 Cb -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1fk4 h ASN 38 CO -0.09 0.49 -0.72 0.00 -1.06 0.00 0.00 177.43 176.05 1fk4 h ALA 39 N 1.51 0.80 -1.55 -0.83 0.00 -0.17 -3.40 119.26 115.62 1fk4 h ALA 39 Ca -0.00 -0.65 -0.62 0.00 0.00 0.00 0.00 54.91 53.63 1fk4 h ALA 39 Cb 1.28 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1fk4 h ALA 39 CO 0.06 0.90 0.93 0.00 0.00 0.00 0.00 179.25 181.15 1fk4 s ALA 40 N -3.36 3.03 -0.95 0.00 0.00 -0.77 -4.83 121.76 114.88 1fk4 s ALA 40 Ca -0.01 -2.11 0.15 0.00 0.00 0.00 0.00 51.96 50.00 1fk4 s ALA 40 Cb 0.12 -4.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.00 1fk4 s ALA 40 CO 0.78 -3.12 0.69 0.54 0.00 0.00 0.00 175.76 174.66 1fk4 n ARG 41 N 7.96 2.02 -4.34 0.00 1.74 -1.26 -4.76 116.66 118.02 1fk4 n ARG 41 Ca 0.13 -0.29 -0.17 0.00 -0.77 0.00 0.00 57.85 56.75 1fk4 n ARG 41 Cb 0.48 -1.21 -0.10 0.00 -1.02 0.00 0.00 32.46 30.61 1fk4 n ARG 41 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1fk4 s THR 42 N -2.18 0.71 0.12 0.55 -4.23 -1.26 -5.02 115.64 104.34 1fk4 s THR 42 Ca 0.08 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.40 1fk4 s THR 42 Cb 0.11 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1fk4 s THR 42 CO 0.52 -0.03 1.76 0.74 -0.54 0.00 0.00 174.62 177.07 1fk4 h THR 43 N 2.34 1.00 -0.52 3.99 2.02 -1.95 -0.96 112.91 118.83 1fk4 h THR 43 Ca -0.39 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 66.77 1fk4 h THR 43 Cb 1.24 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 1fk4 h THR 43 CO 0.63 0.04 0.23 0.00 0.37 0.00 0.00 175.52 176.79 1fk4 h ALA 44 N 1.10 0.66 -0.42 6.16 0.00 -1.96 0.24 119.26 125.04 1fk4 h ALA 44 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fk4 h ALA 44 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1fk4 h ALA 44 CO -0.05 -0.14 0.26 -0.44 0.00 0.00 0.00 179.25 178.88 1fk4 h ASP 45 N 0.44 0.50 -0.54 0.00 3.45 -1.87 -1.93 116.42 116.47 1fk4 h ASP 45 Ca 0.24 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.58 1fk4 h ASP 45 Cb 0.21 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1fk4 h ASP 45 CO -0.21 0.39 0.00 0.03 -1.57 0.00 0.00 179.24 177.88 1fk4 h ARG 46 N 0.56 0.98 -0.34 3.56 3.08 -0.64 -0.96 114.38 120.61 1fk4 h ARG 46 Ca 0.15 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1fk4 h ARG 46 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1fk4 h ARG 46 CO -0.03 0.97 -0.21 0.00 -1.07 0.00 0.00 179.97 179.62 1fk4 h ARG 47 N 0.90 0.66 -0.24 0.04 3.08 -0.83 0.36 114.38 118.36 1fk4 h ARG 47 Ca 0.16 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1fk4 h ARG 47 Cb 0.53 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1fk4 h ARG 47 CO 0.03 0.82 -0.07 0.00 -1.07 0.00 0.00 179.97 179.68 1fk4 h ALA 48 N 1.18 0.33 -0.86 0.04 0.00 -1.29 -1.74 119.26 116.92 1fk4 h ALA 48 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1fk4 h ALA 48 Cb 0.68 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1fk4 h ALA 48 CO 0.05 0.14 0.57 0.00 0.00 0.00 0.00 179.25 180.01 1fk4 h ALA 49 N 0.75 1.11 -0.37 0.00 0.00 -1.01 -1.02 119.26 118.71 1fk4 h ALA 49 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1fk4 h ALA 49 Cb 0.55 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1fk4 h ALA 49 CO 0.03 0.47 0.18 0.00 0.00 0.00 0.00 179.25 179.92 1fk4 h ASN 51 N 0.36 0.92 -0.71 0.00 2.35 -0.88 0.20 115.58 117.82 1fk4 h ASN 51 Ca 0.16 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1fk4 h ASN 51 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1fk4 h ASN 51 CO -0.12 0.93 0.17 0.00 -1.65 0.00 0.00 177.43 176.77 1fk4 h LEU 53 N 1.08 0.93 -0.63 0.00 3.38 -0.56 -1.16 115.31 118.34 1fk4 h LEU 53 Ca 0.22 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1fk4 h LEU 53 Cb 0.37 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1fk4 h LEU 53 CO 0.00 1.16 0.42 0.50 0.09 0.00 0.00 178.44 180.61 1fk4 h LYS 54 N 0.74 0.83 -0.60 1.13 3.64 -0.84 -0.28 116.57 121.19 1fk4 h LYS 54 Ca 0.08 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1fk4 h LYS 54 Cb 0.89 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1fk4 h LYS 54 CO 0.08 0.55 0.11 -0.97 -2.27 0.00 0.00 179.45 176.95 1fk4 h ASN 55 N 0.85 0.95 -0.50 4.20 -0.73 -1.26 -2.42 115.58 116.68 1fk4 h ASN 55 Ca 0.23 -0.26 -0.07 0.00 1.87 0.00 0.00 56.30 58.07 1fk4 h ASN 55 Cb -0.09 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.22 1fk4 h ASN 55 CO -0.05 0.96 0.05 0.00 -0.37 0.00 0.00 177.43 178.02 1fk4 h ALA 56 N 1.02 1.05 -0.34 1.57 0.00 -0.90 -2.99 119.26 118.66 1fk4 h ALA 56 Ca 0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1fk4 h ALA 56 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1fk4 h ALA 56 CO 0.01 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 1fk4 h ALA 57 N 1.20 0.90 0.00 0.00 0.00 -0.84 -3.09 119.26 117.43 1fk4 h ALA 57 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fk4 h ALA 57 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1fk4 h ALA 57 CO 0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1fk4 h ALA 58 N 1.11 1.00 -0.26 0.00 0.00 -1.30 -3.27 119.26 116.55 1fk4 h ALA 58 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fk4 h ALA 58 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1fk4 h ALA 58 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1fk4 n GLY 59 N 0.37 3.62 3.54 0.00 0.00 -1.16 -4.92 105.19 106.63 1fk4 n GLY 59 Ca 0.03 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1fk4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk4 s VAL 60 N -2.12 4.49 -0.04 1.61 1.01 -1.23 -5.00 120.40 119.12 1fk4 s VAL 60 Ca 0.33 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1fk4 s VAL 60 Cb 0.24 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1fk4 s VAL 60 CO 0.10 -0.89 1.29 -0.55 0.00 0.00 0.00 175.10 175.05 1fk4 s SER 61 N 2.41 6.96 0.00 3.32 0.15 -1.26 -2.39 113.70 122.88 1fk4 s SER 61 Ca 0.33 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.91 1fk4 s SER 61 Cb -0.11 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1fk4 s SER 61 CO 0.23 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1fk4 n GLY 62 N 3.51 0.60 3.56 9.45 0.00 -1.26 -4.90 105.19 116.15 1fk4 n GLY 62 Ca 0.12 -0.76 -0.53 0.00 0.00 0.00 0.00 46.02 44.85 1fk4 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fk4 n LEU 63 N 0.00 1.19 -4.17 0.99 7.94 -1.01 -4.52 117.00 117.42 1fk4 n LEU 63 Ca 0.00 1.13 -0.39 0.00 -1.11 0.00 0.00 56.01 55.64 1fk4 n LEU 63 Cb 0.05 -1.13 -0.09 0.00 0.53 0.00 0.00 43.42 42.78 1fk4 n LEU 63 CO 0.00 -1.34 0.01 0.21 -1.11 0.00 0.00 177.39 175.16 1fk4 s ASN 64 N 0.23 5.60 0.26 1.96 3.04 0.12 -4.95 114.94 121.19 1fk4 s ASN 64 Ca 0.83 -2.27 -0.02 0.00 0.04 0.00 0.00 52.86 51.44 1fk4 s ASN 64 Cb -0.99 -1.95 0.47 0.00 -1.54 0.00 0.00 41.25 37.24 1fk4 s ASN 64 CO 0.50 -0.57 1.82 0.00 -3.04 0.00 0.00 177.10 175.82 1fk4 h ALA 65 N 7.92 1.35 -0.09 1.71 0.00 -1.93 -1.26 119.26 126.97 1fk4 h ALA 65 Ca -0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fk4 h ALA 65 Cb 1.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1fk4 h ALA 65 CO 0.78 0.17 0.04 0.78 0.00 0.00 0.00 179.25 181.01 1fk4 h GLY 66 N 0.90 0.13 0.69 0.00 0.00 -1.95 -1.46 103.07 101.38 1fk4 h GLY 66 Ca 0.45 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.74 1fk4 h GLY 66 CO -0.26 0.06 -0.11 3.43 0.00 0.00 0.00 176.54 179.66 1fk4 h ASN 67 N 0.02 -0.32 -0.83 0.19 4.21 -1.75 -2.67 115.58 114.42 1fk4 h ASN 67 Ca 0.03 0.05 0.07 0.00 1.21 0.00 0.00 56.30 57.66 1fk4 h ASN 67 Cb 0.11 0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.39 1fk4 h ASN 67 CO -0.00 -0.15 0.50 0.00 -1.29 0.00 0.00 177.43 176.48 1fk4 h ALA 68 N 0.82 1.15 0.00 -0.83 0.00 -1.09 -1.81 119.26 117.51 1fk4 h ALA 68 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1fk4 h ALA 68 Cb 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fk4 h ALA 68 CO -0.13 0.21 -0.06 0.00 0.00 0.00 0.00 179.25 179.26 1fk4 h ALA 69 N 1.41 1.03 -0.00 0.00 0.00 -1.10 -2.92 119.26 117.68 1fk4 h ALA 69 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1fk4 h ALA 69 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fk4 h ALA 69 CO -0.19 0.08 -0.36 -1.13 0.00 0.00 0.00 179.25 177.65 1fk4 n SER 70 N -3.21 0.53 -0.06 0.00 3.41 -0.69 -4.40 113.62 109.20 1fk4 n SER 70 Ca 0.00 -0.30 -0.08 0.00 -0.26 0.00 0.00 58.87 58.23 1fk4 n SER 70 Cb 0.31 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1fk4 n SER 70 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1fk4 h ILE 71 N 0.27 0.82 -0.64 -1.33 2.04 -1.40 -0.74 117.51 116.54 1fk4 h ILE 71 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1fk4 h ILE 71 Cb 0.49 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1fk4 h ILE 71 CO 0.00 0.01 0.40 -0.65 0.00 0.00 0.00 178.15 177.92 1fk4 h PRO 72 N 0.07 0.86 -0.21 2.37 0.11 -1.82 -1.82 132.00 131.57 1fk4 h PRO 72 Ca 0.12 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 1fk4 h PRO 72 Cb 0.15 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1fk4 h PRO 72 CO -0.20 0.60 -0.35 0.66 -0.21 0.00 0.00 178.00 178.50 1fk4 h SER 73 N 0.87 0.45 0.91 -2.05 4.64 -1.62 0.15 113.55 116.90 1fk4 h SER 73 Ca 0.23 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1fk4 h SER 73 Cb -0.06 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1fk4 h SER 73 CO -0.05 0.77 -0.37 0.11 -0.87 0.00 0.00 176.83 176.42 1fk4 h LYS 74 N 0.37 0.00 -0.01 4.77 1.57 -0.94 -2.61 116.57 119.72 1fk4 h LYS 74 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1fk4 h LYS 74 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1fk4 h LYS 74 CO 0.06 0.37 -0.29 0.00 -0.57 0.00 0.00 179.45 179.03 1fk4 n GLY 76 N 1.35 0.45 3.62 0.00 0.00 -0.53 -4.98 105.19 105.11 1fk4 n GLY 76 Ca 0.12 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1fk4 n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fk4 s VAL 77 N -2.00 3.93 -0.12 1.61 -7.23 -0.07 -5.00 120.40 111.52 1fk4 s VAL 77 Ca 0.00 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 1fk4 s VAL 77 Cb 0.00 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 1fk4 s VAL 77 CO 0.00 0.56 -0.21 -0.94 -0.31 0.00 0.00 175.10 174.19 1fk4 s SER 78 N -0.97 3.29 0.16 4.85 1.04 -1.26 -3.83 113.70 116.98 1fk4 s SER 78 Ca 0.14 -0.52 0.10 0.00 0.48 0.00 0.00 55.95 56.15 1fk4 s SER 78 Cb -0.11 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 1fk4 s SER 78 CO 0.03 0.14 -0.19 0.27 0.98 0.00 0.00 173.24 174.47 1fk4 s ILE 79 N 0.46 2.67 -2.00 -1.02 -4.36 -1.26 -5.05 121.20 110.64 1fk4 s ILE 79 Ca -0.15 -1.78 0.18 0.00 -0.26 0.00 0.00 60.65 58.64 1fk4 s ILE 79 Cb -0.17 -2.27 0.51 0.00 1.25 0.00 0.00 42.46 41.79 1fk4 s ILE 79 CO 0.06 -0.04 1.49 -0.81 0.24 0.00 0.00 174.94 175.88 1fk4 n PRO 80 N 0.41 0.63 -3.93 0.37 -0.04 -1.26 -4.83 135.00 126.36 1fk4 n PRO 80 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 1fk4 n PRO 80 Cb 0.55 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1fk4 n PRO 80 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1fk4 s TYR 81 N -2.00 0.32 -0.16 0.54 1.13 -1.26 -5.14 117.35 110.78 1fk4 s TYR 81 Ca 0.27 -0.70 -0.13 0.00 -1.41 0.00 0.00 57.07 55.10 1fk4 s TYR 81 Cb 0.12 -0.06 -0.05 0.00 -1.10 0.00 0.00 41.96 40.88 1fk4 s TYR 81 CO 0.21 -0.67 0.26 0.99 -2.51 0.00 0.00 175.55 173.83 1fk4 s THR 82 N -3.94 5.32 -0.18 -3.49 2.01 -1.26 -5.04 115.64 109.07 1fk4 s THR 82 Ca 0.13 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1fk4 s THR 82 Cb 0.04 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1fk4 s THR 82 CO -0.03 0.42 1.65 -0.63 -0.69 0.00 0.00 174.62 175.34 1fk4 s ILE 83 N 0.31 3.63 0.16 1.82 1.01 -1.26 -4.71 121.20 122.16 1fk4 s ILE 83 Ca 0.15 0.73 -0.14 0.00 0.00 0.00 0.00 60.65 61.38 1fk4 s ILE 83 Cb -0.13 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1fk4 s ILE 83 CO 0.03 -0.22 0.41 -0.55 0.00 0.00 0.00 174.94 174.61 1fk4 s SER 84 N 4.20 -0.16 0.08 3.58 0.15 -1.26 -4.96 113.70 115.34 1fk4 s SER 84 Ca 0.73 -0.53 0.20 0.00 0.70 0.00 0.00 55.95 57.06 1fk4 s SER 84 Cb -0.27 0.49 0.82 0.00 -1.71 0.00 0.00 66.02 65.35 1fk4 s SER 84 CO 0.29 -0.93 1.62 0.35 1.20 0.00 0.00 173.24 175.78 1fk4 n THR 85 N -0.25 0.78 0.52 6.45 -2.24 -1.26 -2.32 114.28 115.95 1fk4 n THR 85 Ca -0.12 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1fk4 n THR 85 Cb 0.63 -0.94 0.19 0.00 -2.10 0.00 0.00 70.33 68.11 1fk4 n THR 85 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1fk4 h SER 86 N 0.00 0.00 -3.03 3.42 0.02 -1.94 -3.47 113.55 108.55 1fk4 h SER 86 Ca 0.00 -0.15 -0.53 0.00 -0.84 0.00 0.00 61.79 60.27 1fk4 h SER 86 Cb 0.35 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.97 1fk4 h SER 86 CO 0.00 0.08 0.92 0.41 -1.14 0.00 0.00 176.83 177.10 1fk4 n THR 87 N -2.23 0.65 -3.39 -2.27 -1.04 -0.98 -4.96 114.28 100.06 1fk4 n THR 87 Ca 0.03 -0.16 -0.44 0.00 -2.04 0.00 0.00 64.05 61.44 1fk4 n THR 87 Cb 0.45 -1.96 -0.07 0.00 -1.82 0.00 0.00 70.33 66.94 1fk4 n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fk4 s ASP 88 N 0.73 6.09 0.19 8.00 3.68 -1.26 -4.94 116.67 129.17 1fk4 s ASP 88 Ca 0.68 -1.56 0.20 0.00 2.13 0.00 0.00 52.55 54.00 1fk4 s ASP 88 Cb -0.51 -2.16 0.87 0.00 -1.45 0.00 0.00 42.92 39.67 1fk4 s ASP 88 CO 0.43 -0.72 1.61 0.00 0.13 0.00 0.00 175.17 176.61 1fk4 n SER 90 N -2.03 0.09 -0.64 0.00 3.41 -1.26 -2.74 113.62 110.45 1fk4 n SER 90 Ca 0.02 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 1fk4 n SER 90 Cb 0.18 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1fk4 n SER 90 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1fk4 n ARG 91 N -1.59 1.65 -2.05 4.33 1.85 -0.85 -4.95 116.66 115.07 1fk4 n ARG 91 Ca 0.06 -1.36 -0.42 0.00 -1.00 0.00 0.00 57.85 55.13 1fk4 n ARG 91 Cb 0.32 -1.37 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 1fk4 n ARG 91 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1fk4 s VAL 92 N -1.86 3.24 0.00 8.89 1.01 -1.11 -5.12 120.40 125.46 1fk4 s VAL 92 Ca 0.20 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1fk4 s VAL 92 Cb 0.16 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1fk4 s VAL 92 CO 0.34 0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.04