#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LYS 3 N 0.00 -2.22 -0.90 0.54 4.81 -1.26 -4.96 118.16 114.17 3kit n LYS 3 Ca 0.00 1.93 -0.31 0.00 -0.87 0.00 0.00 58.31 59.06 3kit n LYS 3 Cb 0.00 -3.06 0.14 0.00 0.02 0.00 0.00 35.03 32.13 3kit n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kit s MET 4 N -0.83 1.44 0.17 1.64 0.00 -1.26 -5.03 119.30 115.43 3kit s MET 4 Ca -0.12 1.44 0.04 0.00 0.00 0.00 0.00 55.69 57.05 3kit s MET 4 Cb 0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 34.83 33.02 3kit s MET 4 CO 0.40 -2.30 0.20 0.15 0.00 0.00 0.00 175.02 173.47 3kit s LYS 5 N -4.70 3.11 0.08 3.16 1.02 -1.26 -4.92 119.74 116.23 3kit s LYS 5 Ca 0.65 -0.80 -0.22 0.00 0.02 0.00 0.00 55.97 55.62 3kit s LYS 5 Cb -0.21 -2.75 -0.07 0.00 -0.52 0.00 0.00 37.83 34.28 3kit s LYS 5 CO 0.57 0.48 0.66 0.95 -0.92 0.00 0.00 175.35 177.09 3kit s THR 6 N -1.81 4.66 -0.95 2.17 -4.23 -1.26 -4.88 115.64 109.34 3kit s THR 6 Ca 0.32 1.41 -0.24 0.00 -1.18 0.00 0.00 61.69 62.01 3kit s THR 6 Cb -0.10 -4.00 -0.02 0.00 1.34 0.00 0.00 72.50 69.71 3kit s THR 6 CO 0.26 0.50 1.82 -2.28 -0.54 0.00 0.00 174.62 174.37 3kit s HIS 7 N -0.81 2.01 0.47 3.99 2.46 -1.05 -4.82 115.29 117.54 3kit s HIS 7 Ca 0.32 0.22 0.31 0.00 0.47 0.00 0.00 55.06 56.38 3kit s HIS 7 Cb -0.20 -4.21 1.40 0.00 -0.13 0.00 0.00 32.58 29.43 3kit s HIS 7 CO 0.21 -1.76 1.72 0.87 -2.47 0.00 0.00 174.74 173.31 3kit h LYS 8 N 10.77 0.14 -0.70 2.88 6.56 -1.92 0.17 116.57 134.48 3kit h LYS 8 Ca 0.14 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.69 3kit h LYS 8 Cb 1.00 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.59 3kit h LYS 8 CO 1.27 0.10 0.33 0.78 -2.06 0.00 0.00 179.45 179.86 3kit h GLY 9 N 0.15 1.07 0.34 3.86 0.00 -1.98 -1.53 103.07 104.97 3kit h GLY 9 Ca 0.68 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kit h GLY 9 CO -0.21 0.49 -0.03 0.00 0.00 0.00 0.00 176.54 176.79 3kit h ALA 10 N 1.37 -0.09 -0.79 3.60 0.00 -1.06 -3.25 119.26 119.05 3kit h ALA 10 Ca 0.24 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 55.04 3kit h ALA 10 Cb 0.11 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.81 3kit h ALA 10 CO -0.03 -0.22 0.23 -0.22 0.00 0.00 0.00 179.25 179.01 3kit h LYS 11 N -0.75 0.28 0.00 0.00 3.64 -1.41 0.49 116.57 118.83 3kit h LYS 11 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kit h LYS 11 Cb 0.60 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3kit h LYS 11 CO 0.01 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 179.01 3kit n LYS 12 N -5.14 0.30 0.00 1.90 5.02 -0.59 -3.46 118.16 116.19 3kit n LYS 12 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3kit n LYS 12 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3kit n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3kit n ARG 13 N -0.85 0.00 -4.12 1.97 1.85 0.15 -5.08 116.66 110.59 3kit n ARG 13 Ca 0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.76 3kit n ARG 13 Cb 0.02 -0.26 -0.11 0.00 -1.05 0.00 0.00 32.46 31.06 3kit n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kit s VAL 14 N 0.00 0.73 0.02 8.89 0.11 -0.10 -4.55 120.40 125.51 3kit s VAL 14 Ca 0.00 -1.33 0.05 0.00 -2.93 0.00 0.00 61.98 57.76 3kit s VAL 14 Cb 0.00 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3kit s VAL 14 CO 0.00 -0.45 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.43 3kit s LYS 15 N -2.12 0.99 -0.21 1.54 2.20 -0.58 -4.65 119.74 116.91 3kit s LYS 15 Ca -0.03 -0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 3kit s LYS 15 Cb -0.07 -0.98 -0.00 0.00 -1.51 0.00 0.00 37.83 35.27 3kit s LYS 15 CO 0.00 0.25 -0.08 -1.50 -0.36 0.00 0.00 175.35 173.66 3kit s ILE 16 N -0.63 3.07 0.00 5.43 2.07 -1.26 -0.64 121.20 129.24 3kit s ILE 16 Ca 0.03 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 3kit s ILE 16 Cb -0.07 -2.37 0.00 0.00 0.13 0.00 0.00 42.46 40.15 3kit s ILE 16 CO 0.01 0.45 0.00 0.35 -1.91 0.00 0.00 174.94 173.84 3kit n THR 17 N 4.70 0.00 -0.05 4.00 -2.24 0.61 -4.89 114.28 116.41 3kit n THR 17 Ca -0.19 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3kit n THR 17 Cb 0.51 -1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 67.48 3kit n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kit h ALA 18 N -2.00 0.00 0.00 6.98 0.00 -2.00 -3.13 119.26 119.11 3kit h ALA 18 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kit h ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kit h ALA 18 CO 0.00 -0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.65 3kit n SER 19 N -4.63 0.00 -0.16 0.00 7.64 -1.26 -4.74 113.62 110.46 3kit n SER 19 Ca -0.10 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3kit n SER 19 Cb 0.44 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3kit n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kit n GLY 20 N -1.09 1.03 3.90 0.23 0.00 -1.18 -5.08 105.19 102.99 3kit n GLY 20 Ca 0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3kit n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s LYS 21 N -2.71 3.27 -0.33 1.61 1.02 -1.26 -4.88 119.74 116.46 3kit s LYS 21 Ca 0.00 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.23 3kit s LYS 21 Cb 0.00 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3kit s LYS 21 CO 0.00 0.51 0.13 0.08 -0.92 0.00 0.00 175.35 175.15 3kit s VAL 22 N -1.74 4.18 -0.14 3.17 1.01 -1.26 -0.29 120.40 125.33 3kit s VAL 22 Ca 0.33 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3kit s VAL 22 Cb -0.11 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3kit s VAL 22 CO 0.27 -0.07 0.03 -0.69 0.00 0.00 0.00 175.10 174.63 3kit s VAL 23 N 1.51 4.53 0.10 2.92 1.01 0.18 -3.80 120.40 126.86 3kit s VAL 23 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 3kit s VAL 23 Cb -0.18 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3kit s VAL 23 CO 0.04 0.53 0.16 0.00 0.00 0.00 0.00 175.10 175.83 3kit s ALA 24 N -0.14 0.06 0.23 5.51 0.00 -1.04 -1.53 121.76 124.84 3kit s ALA 24 Ca 0.06 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 3kit s ALA 24 Cb -0.12 0.58 -0.10 0.00 0.00 0.00 0.00 23.12 23.48 3kit s ALA 24 CO 0.02 -0.52 1.39 -1.64 0.00 0.00 0.00 175.76 175.01 3kit s MET 25 N -3.91 4.32 0.41 0.00 -1.94 -1.26 -0.89 119.30 116.02 3kit s MET 25 Ca 0.10 2.21 -0.26 0.00 -1.71 0.00 0.00 55.69 56.02 3kit s MET 25 Cb 0.05 -3.14 -0.10 0.00 2.01 0.00 0.00 34.83 33.65 3kit s MET 25 CO -0.07 -0.35 1.39 1.63 -0.01 0.00 0.00 175.02 177.61 3kit n LYS 26 N 2.44 2.29 -3.83 2.03 4.76 -1.10 -4.91 118.16 119.84 3kit n LYS 26 Ca 0.06 0.81 -0.31 0.00 -2.87 0.00 0.00 58.31 56.00 3kit n LYS 26 Cb 0.41 -2.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.01 3kit n LYS 26 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kit s THR 27 N -1.16 5.30 0.00 -0.18 -4.23 -1.26 -4.73 115.64 109.39 3kit s THR 27 Ca 0.58 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 3kit s THR 27 Cb -0.49 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 69.73 3kit s THR 27 CO 0.60 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 3kit n GLY 28 N 0.20 1.82 2.62 3.99 0.00 -1.26 -5.07 105.19 107.48 3kit n GLY 28 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3kit n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kit n LYS 29 N 0.00 1.12 -0.00 1.61 2.85 -1.26 -4.68 118.16 117.80 3kit n LYS 29 Ca 0.00 -2.60 0.05 0.00 -1.05 0.00 0.00 58.31 54.72 3kit n LYS 29 Cb 0.00 -0.86 -0.07 0.00 -0.65 0.00 0.00 35.03 33.44 3kit n LYS 29 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3kit n ARG 30 N -0.14 2.16 0.00 -1.58 5.12 -1.26 -4.82 116.66 116.14 3kit n ARG 30 Ca 0.07 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3kit n ARG 30 Cb 0.79 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 3kit n ARG 30 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3kit n HIS 31 N -1.51 0.00 0.17 -1.55 1.44 -1.26 -4.98 115.22 107.53 3kit n HIS 31 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 3kit n HIS 31 Cb 0.22 0.07 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 3kit n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3kit h LEU 32 N 0.00 -0.38 0.00 2.39 -0.00 -1.87 -3.46 115.31 111.98 3kit h LEU 32 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3kit h LEU 32 Cb 0.30 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 3kit h LEU 32 CO 0.00 -0.22 0.00 0.59 -0.00 0.00 0.00 178.44 178.81 3kit n ASN 33 N -3.50 0.00 0.00 -0.43 5.03 -1.26 -4.69 115.26 110.41 3kit n ASN 33 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 3kit n ASN 33 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 3kit n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3kit n TRP 34 N 0.00 0.00 -3.13 3.10 -0.00 -1.26 -4.95 117.44 111.19 3kit n TRP 34 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.30 3kit n TRP 34 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 3kit n TRP 34 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3kit n GLN 35 N 0.00 0.48 -4.79 5.87 7.27 -1.26 -5.09 117.38 119.86 3kit n GLN 35 Ca 0.00 -2.80 -0.25 0.00 0.07 0.00 0.00 57.00 54.02 3kit n GLN 35 Cb 0.00 -1.47 -0.16 0.00 2.41 0.00 0.00 30.24 31.02 3kit n GLN 35 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3kit s LYS 36 N -0.09 1.70 0.25 3.69 1.02 -1.26 -5.10 119.74 119.95 3kit s LYS 36 Ca 0.33 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 3kit s LYS 36 Cb 0.10 -1.48 -0.15 0.00 -0.52 0.00 0.00 37.83 35.78 3kit s LYS 36 CO -0.15 0.23 1.05 -1.13 -0.92 0.00 0.00 175.35 174.43 3kit n SER 37 N 3.15 1.24 0.13 2.83 3.41 -1.26 -4.67 113.62 118.46 3kit n SER 37 Ca -0.18 1.16 0.18 0.00 -0.26 0.00 0.00 58.87 59.77 3kit n SER 37 Cb 0.53 -1.26 0.60 0.00 -0.26 0.00 0.00 64.21 63.83 3kit n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kit h GLY 38 N 2.44 0.00 0.93 5.00 0.00 -1.99 0.80 103.07 110.25 3kit h GLY 38 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3kit h GLY 38 CO 0.64 0.00 0.09 1.70 0.00 0.00 0.00 176.54 178.97 3kit h LYS 39 N 0.00 0.25 0.00 4.80 3.64 -1.98 -1.73 116.57 121.54 3kit h LYS 39 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kit h LYS 39 Cb 1.46 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3kit h LYS 39 CO -0.00 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 177.83 3kit n GLU 40 N -4.90 0.00 0.33 1.90 1.02 0.28 -0.47 120.64 118.79 3kit n GLU 40 Ca -0.04 0.19 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 3kit n GLU 40 Cb 0.08 -1.15 0.13 0.00 -0.02 0.00 0.00 31.44 30.48 3kit n GLU 40 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3kit h ILE 41 N 0.00 0.00 0.00 -3.67 3.07 -1.63 0.21 117.51 115.49 3kit h ILE 41 Ca 0.00 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.35 3kit h ILE 41 Cb 0.00 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 36.64 3kit h ILE 41 CO 0.00 0.00 -0.49 -0.09 -1.05 0.00 0.00 178.15 176.52 3kit h ARG 42 N 0.00 0.00 -2.35 0.16 2.43 -1.09 -3.38 114.38 110.15 3kit h ARG 42 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kit h ARG 42 Cb 1.80 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.35 3kit h ARG 42 CO -0.00 0.42 0.17 1.04 -1.51 0.00 0.00 179.97 180.08 3kit n GLN 43 N -4.61 0.09 -3.56 0.20 6.02 0.75 -4.43 117.38 111.83 3kit n GLN 43 Ca -0.12 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.55 3kit n GLN 43 Cb 0.34 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.02 3kit n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kit n LYS 44 N 2.34 2.45 0.00 -1.09 4.01 -1.26 -4.99 118.16 119.62 3kit n LYS 44 Ca 0.01 -4.60 0.00 0.00 -0.51 0.00 0.00 58.31 53.21 3kit n LYS 44 Cb 0.04 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.26 3kit n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kit n GLY 45 N 1.33 1.51 3.86 0.72 0.00 -1.26 -4.82 105.19 106.53 3kit n GLY 45 Ca 0.26 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3kit n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kit s ARG 46 N 4.42 2.26 0.39 1.61 0.52 -1.26 -2.73 118.95 124.16 3kit s ARG 46 Ca 0.00 -2.04 -0.13 0.00 -0.52 0.00 0.00 55.73 53.04 3kit s ARG 46 Cb 0.00 -2.01 0.05 0.00 0.52 0.00 0.00 34.95 33.51 3kit s ARG 46 CO 0.00 -0.50 0.75 0.36 0.02 0.00 0.00 175.30 175.93 3kit n LYS 47 N -1.62 1.08 -2.89 3.54 2.85 -0.07 -4.81 118.16 116.24 3kit n LYS 47 Ca -0.04 -2.33 -0.19 0.00 -1.05 0.00 0.00 58.31 54.69 3kit n LYS 47 Cb 0.65 2.79 0.04 0.00 -0.65 0.00 0.00 35.03 37.86 3kit n LYS 47 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kit s PHE 48 N -2.24 2.26 -0.18 5.58 2.99 -1.26 -2.50 117.98 122.62 3kit s PHE 48 Ca 0.18 -0.41 -0.15 0.00 0.00 0.00 0.00 56.93 56.55 3kit s PHE 48 Cb -0.04 -2.48 0.05 0.00 0.00 0.00 0.00 43.02 40.55 3kit s PHE 48 CO 0.13 -0.88 0.47 0.08 -0.00 0.00 0.00 175.22 175.03 3kit s VAL 49 N -2.62 -0.01 0.06 -0.44 1.01 -1.25 -4.89 120.40 112.26 3kit s VAL 49 Ca 0.59 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.65 3kit s VAL 49 Cb -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3kit s VAL 49 CO 0.37 0.01 -0.17 -0.22 0.00 0.00 0.00 175.10 175.09 3kit s LEU 50 N 0.55 2.21 0.00 3.92 2.96 -1.26 -4.40 118.68 122.66 3kit s LEU 50 Ca -0.02 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3kit s LEU 50 Cb -0.04 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.89 3kit s LEU 50 CO -0.03 0.06 0.00 0.00 -1.32 0.00 0.00 176.35 175.06 3kit n ALA 51 N 1.67 0.00 0.99 5.97 0.00 -1.26 -4.45 120.51 123.43 3kit n ALA 51 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 3kit n ALA 51 Cb 0.54 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.41 3kit n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kit n LYS 52 N 0.00 0.00 0.03 0.00 4.01 -1.26 -3.84 118.16 117.10 3kit n LYS 52 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 3kit n LYS 52 Cb 0.00 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 32.87 3kit n LYS 52 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3kit h PRO 53 N 0.00 0.26 -0.98 1.97 0.13 -1.78 -2.75 132.00 128.85 3kit h PRO 53 Ca 0.00 -0.44 0.20 0.00 -0.87 0.00 0.00 66.00 64.89 3kit h PRO 53 Cb 0.50 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 31.69 3kit h PRO 53 CO 0.00 1.12 0.58 0.93 -0.23 0.00 0.00 178.00 180.40 3kit h GLU 54 N 0.07 0.67 -0.45 0.86 5.08 -1.92 1.26 114.58 120.15 3kit h GLU 54 Ca -0.35 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 3kit h GLU 54 Cb 2.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 3kit h GLU 54 CO 0.12 0.45 -0.09 0.00 -1.00 0.00 0.00 179.01 178.49 3kit h ALA 55 N 1.66 0.62 0.91 3.43 0.00 -1.67 -2.12 119.26 122.10 3kit h ALA 55 Ca 0.58 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kit h ALA 55 Cb 0.94 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kit h ALA 55 CO -0.41 0.50 -0.44 1.49 0.00 0.00 0.00 179.25 180.39 3kit h GLU 56 N 0.70 -1.18 -0.94 0.00 4.57 0.82 -2.94 114.58 115.61 3kit h GLU 56 Ca 0.12 0.08 0.26 0.00 -1.18 0.00 0.00 59.36 58.64 3kit h GLU 56 Cb 0.62 0.27 -0.14 0.00 -0.16 0.00 0.00 28.75 29.35 3kit h GLU 56 CO 0.04 -0.79 0.43 0.00 -1.18 0.00 0.00 179.01 177.52 3kit h ARG 57 N -1.28 0.34 -0.41 1.92 3.08 0.12 0.75 114.38 118.89 3kit h ARG 57 Ca -0.13 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.99 3kit h ARG 57 Cb 0.94 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3kit h ARG 57 CO 0.21 0.23 0.28 0.82 -1.07 0.00 0.00 179.97 180.44 3kit h ILE 58 N 0.35 0.89 0.00 2.04 1.08 -1.20 -0.75 117.51 119.92 3kit h ILE 58 Ca 0.62 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 65.02 3kit h ILE 58 Cb 1.28 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3kit h ILE 58 CO -0.58 0.04 -0.16 0.29 -0.69 0.00 0.00 178.15 177.04 3kit n LYS 59 N -4.46 0.17 -3.41 2.37 5.02 0.26 -3.96 118.16 114.15 3kit n LYS 59 Ca 0.06 0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 3kit n LYS 59 Cb 0.34 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 3kit n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kit n LEU 60 N -1.95 4.22 0.00 -0.35 4.77 -0.29 -2.53 117.00 120.87 3kit n LEU 60 Ca 0.06 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 3kit n LEU 60 Cb 0.40 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3kit n LEU 60 CO 0.31 1.93 0.04 0.00 -1.33 0.00 0.00 177.39 178.35 3kit n LEU 61 N 1.13 2.46 -0.13 2.23 -0.00 -1.25 -3.52 117.00 117.92 3kit n LEU 61 Ca 0.28 0.09 0.10 0.00 -0.00 0.00 0.00 56.01 56.48 3kit n LEU 61 Cb 0.39 -0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.25 3kit n LEU 61 CO 0.45 -0.00 1.20 -0.07 -0.00 0.00 0.00 177.39 178.97 3kit h LEU 62 N 0.00 0.49 -1.69 1.47 3.38 -1.91 0.29 115.31 117.33 3kit h LEU 62 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kit h LEU 62 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kit h LEU 62 CO 0.00 0.30 0.00 1.55 0.09 0.00 0.00 178.44 180.38 3kit h PRO 63 N 0.54 0.00 0.00 1.13 0.13 -1.95 -3.53 132.00 128.33 3kit h PRO 63 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 3kit h PRO 63 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3kit h PRO 63 CO -0.10 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.33