#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3v s SER 16 N 0.00 4.84 0.22 -1.84 0.01 -1.26 -4.89 113.70 110.78 3k3v s SER 16 Ca 0.00 1.21 0.11 0.00 1.31 0.00 0.00 55.95 58.58 3k3v s SER 16 Cb 0.00 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 3k3v s SER 16 CO 0.00 -1.74 -0.20 -0.94 0.41 0.00 0.00 173.24 170.77 3k3v s SER 17 N -4.11 3.26 0.04 2.44 1.04 -1.26 -1.23 113.70 113.88 3k3v s SER 17 Ca 0.60 -0.95 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 3k3v s SER 17 Cb -0.13 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 3k3v s SER 17 CO 0.53 0.03 -0.04 0.26 0.98 0.00 0.00 173.24 175.00 3k3v s TRP 18 N -2.20 0.45 0.25 5.02 0.52 0.71 -0.48 118.94 123.21 3k3v s TRP 18 Ca 0.24 -0.81 0.11 0.00 0.02 0.00 0.00 56.10 55.65 3k3v s TRP 18 Cb -0.06 -0.32 -0.05 0.00 -1.15 0.00 0.00 33.47 31.89 3k3v s TRP 18 CO 0.11 -0.27 -0.20 1.03 0.02 0.00 0.00 176.95 177.63 3k3v s ARG 19 N -2.81 1.60 0.05 4.98 0.52 0.13 -0.58 118.95 122.84 3k3v s ARG 19 Ca -0.03 -1.69 -0.01 0.00 -0.52 0.00 0.00 55.73 53.48 3k3v s ARG 19 Cb -0.00 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 3k3v s ARG 19 CO -0.05 0.33 -0.02 1.52 0.02 0.00 0.00 175.30 177.09 3k3v s TYR 20 N -2.35 0.50 -0.20 -0.53 1.13 -0.48 -0.69 117.35 114.72 3k3v s TYR 20 Ca 0.27 -1.03 -0.06 0.00 -1.41 0.00 0.00 57.07 54.83 3k3v s TYR 20 Cb -0.05 -0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 40.40 3k3v s TYR 20 CO 0.13 -0.38 0.04 0.42 -2.51 0.00 0.00 175.55 173.25 3k3v s ILE 21 N -3.82 4.37 0.68 -3.49 1.01 -0.48 -0.34 121.20 119.13 3k3v s ILE 21 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 3k3v s ILE 21 Cb 0.07 -2.98 0.16 0.00 0.01 0.00 0.00 42.46 39.71 3k3v s ILE 21 CO -0.10 0.42 0.93 -0.90 0.00 0.00 0.00 174.94 175.29 3k3v n ASP 22 N 4.06 0.09 0.26 3.58 5.68 0.01 -4.28 116.55 125.95 3k3v n ASP 22 Ca -0.17 -1.35 0.10 0.00 -0.50 0.00 0.00 54.79 52.87 3k3v n ASP 22 Cb 0.52 -0.71 0.69 0.00 -1.14 0.00 0.00 41.12 40.48 3k3v n ASP 22 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3k3v h THR 23 N -1.51 0.91 -0.01 2.12 2.02 -1.99 -2.00 112.91 112.44 3k3v h THR 23 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3k3v h THR 23 Cb 0.83 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3k3v h THR 23 CO 0.21 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.68 3k3v n GLN 24 N -4.42 0.85 0.00 6.66 3.00 -1.26 -4.95 117.38 117.26 3k3v n GLN 24 Ca -0.03 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 3k3v n GLN 24 Cb 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.86 3k3v n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k3v n GLY 25 N 1.40 0.67 3.74 1.08 0.00 -0.75 -5.09 105.19 106.24 3k3v n GLY 25 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3k3v n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k3v s GLN 26 N -0.72 4.64 -0.01 1.61 0.74 -1.26 -4.75 119.66 119.91 3k3v s GLN 26 Ca 0.00 1.30 -0.22 0.00 0.05 0.00 0.00 55.36 56.49 3k3v s GLN 26 Cb 0.00 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.72 3k3v s GLN 26 CO 0.00 0.33 0.66 0.42 -0.55 0.00 0.00 175.29 176.16 3k3v s ILE 27 N -0.37 4.92 0.10 -2.34 1.01 -1.26 -0.81 121.20 122.44 3k3v s ILE 27 Ca 0.42 1.39 0.09 0.00 0.00 0.00 0.00 60.65 62.55 3k3v s ILE 27 Cb -0.23 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3k3v s ILE 27 CO 0.28 0.35 -0.23 -1.00 0.00 0.00 0.00 174.94 174.34 3k3v s HIS 28 N 0.17 1.94 -1.15 3.97 3.76 0.54 -4.98 115.29 119.53 3k3v s HIS 28 Ca 0.35 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 3k3v s HIS 28 Cb -0.18 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.43 3k3v s HIS 28 CO 0.19 0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 3k3v n GLY 29 N 1.19 0.50 3.77 -2.22 0.00 -1.26 -1.39 105.19 105.78 3k3v n GLY 29 Ca -0.19 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.25 3k3v n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k3v s PRO 30 N -0.57 3.51 -0.00 1.61 0.04 -1.26 -5.04 135.00 133.29 3k3v s PRO 30 Ca 0.00 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.81 3k3v s PRO 30 Cb 0.00 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3k3v s PRO 30 CO 0.00 -0.74 -0.15 -0.06 0.04 0.00 0.00 177.00 176.08 3k3v s PHE 31 N -1.64 1.35 0.78 0.56 0.08 0.25 -4.89 117.98 114.48 3k3v s PHE 31 Ca 0.69 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 3k3v s PHE 31 Cb -0.27 -0.86 0.07 0.00 -0.57 0.00 0.00 43.02 41.38 3k3v s PHE 31 CO 0.32 -0.01 1.12 0.95 -0.10 0.00 0.00 175.22 177.49 3k3v s THR 32 N -0.42 2.95 0.27 0.64 -4.23 -1.26 -0.21 115.64 113.39 3k3v s THR 32 Ca 0.05 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 3k3v s THR 32 Cb -0.06 -2.73 0.27 0.00 1.34 0.00 0.00 72.50 71.31 3k3v s THR 32 CO -0.00 -0.37 1.70 0.74 -0.54 0.00 0.00 174.62 176.15 3k3v h THR 33 N -1.04 0.52 -0.59 3.99 2.02 -1.51 -1.29 112.91 115.01 3k3v h THR 33 Ca -0.44 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 66.63 3k3v h THR 33 Cb 1.25 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3k3v h THR 33 CO 0.49 0.07 0.36 -0.61 0.37 0.00 0.00 175.52 176.21 3k3v h GLN 34 N 0.39 0.69 -0.29 6.66 4.15 -1.91 0.44 115.11 125.24 3k3v h GLN 34 Ca 0.51 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 3k3v h GLN 34 Cb 0.90 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 3k3v h GLN 34 CO -0.50 0.46 0.07 0.52 -1.93 0.00 0.00 178.83 177.45 3k3v h MET 35 N 0.71 0.47 -0.66 1.69 2.86 -1.64 -1.36 114.93 117.00 3k3v h MET 35 Ca 0.23 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3k3v h MET 35 Cb 0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3k3v h MET 35 CO -0.09 0.54 0.17 0.52 1.06 0.00 0.00 176.91 179.11 3k3v h MET 36 N 0.31 1.05 -0.06 1.72 2.86 -1.01 -1.81 114.93 117.99 3k3v h MET 36 Ca 0.09 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3k3v h MET 36 Cb 0.28 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3k3v h MET 36 CO 0.00 0.94 0.03 1.03 1.06 0.00 0.00 176.91 179.97 3k3v h SER 37 N 0.98 0.08 -0.77 1.22 0.87 -0.82 0.05 113.55 115.16 3k3v h SER 37 Ca 0.21 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3k3v h SER 37 Cb 0.35 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3k3v h SER 37 CO 0.00 0.18 0.50 1.56 -0.53 0.00 0.00 176.83 178.54 3k3v h GLN 38 N -0.02 0.99 -0.62 2.24 1.08 -1.11 -0.16 115.11 117.52 3k3v h GLN 38 Ca 0.02 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 3k3v h GLN 38 Cb 0.12 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3k3v h GLN 38 CO -0.00 0.66 0.04 -1.49 -0.95 0.00 0.00 178.83 177.09 3k3v h TRP 39 N 1.02 1.14 -0.05 2.96 6.55 -1.17 -0.87 115.95 125.53 3k3v h TRP 39 Ca 0.29 -0.18 -0.00 0.00 0.95 0.00 0.00 58.89 59.95 3k3v h TRP 39 Cb -0.10 -0.31 -0.00 0.00 -0.86 0.00 0.00 29.16 27.90 3k3v h TRP 39 CO -0.02 0.99 0.03 -0.92 -1.05 0.00 0.00 178.44 177.46 3k3v h TYR 40 N 0.98 0.07 -0.39 0.49 3.20 -0.54 -1.27 116.97 119.50 3k3v h TYR 40 Ca 0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3k3v h TYR 40 Cb 0.50 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3k3v h TYR 40 CO 0.04 0.13 0.06 0.82 -1.64 0.00 0.00 178.16 177.57 3k3v h ILE 41 N -0.02 1.20 0.00 1.81 2.04 -0.96 -1.68 117.51 119.90 3k3v h ILE 41 Ca 0.02 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3k3v h ILE 41 Cb 0.09 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3k3v h ILE 41 CO -0.00 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.02 3k3v n GLY 42 N -0.93 -0.91 1.34 5.37 0.00 -0.34 -4.89 105.19 104.83 3k3v n GLY 42 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3k3v n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k3v n GLY 43 N -0.26 0.61 0.02 -0.02 0.00 -0.63 -4.97 105.19 99.94 3k3v n GLY 43 Ca 0.03 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.64 3k3v n GLY 43 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k3v n TYR 44 N -2.67 0.21 -4.37 1.61 4.01 -0.52 -4.83 117.16 110.60 3k3v n TYR 44 Ca 0.00 0.06 -0.33 0.00 -0.16 0.00 0.00 57.90 57.47 3k3v n TYR 44 Cb 0.00 -0.53 -0.16 0.00 -0.31 0.00 0.00 39.34 38.34 3k3v n TYR 44 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3k3v s PHE 45 N -3.03 2.77 0.61 -0.72 0.08 -1.26 -5.02 117.98 111.41 3k3v s PHE 45 Ca 0.12 -1.33 -0.12 0.00 0.12 0.00 0.00 56.93 55.72 3k3v s PHE 45 Cb 0.17 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3k3v s PHE 45 CO 0.60 -0.64 1.03 0.00 -0.10 0.00 0.00 175.22 176.11 3k3v s ALA 46 N 1.04 3.00 0.03 5.36 0.00 -1.26 -4.95 121.76 124.98 3k3v s ALA 46 Ca -0.01 0.02 0.31 0.00 0.00 0.00 0.00 51.96 52.28 3k3v s ALA 46 Cb -0.14 -3.11 1.49 0.00 0.00 0.00 0.00 23.12 21.36 3k3v s ALA 46 CO -0.05 -0.72 1.94 0.66 0.00 0.00 0.00 175.76 177.59 3k3v h SER 47 N -0.14 0.00 0.51 0.00 4.64 -2.00 -2.13 113.55 114.43 3k3v h SER 47 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3k3v h SER 47 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3k3v h SER 47 CO 0.61 0.00 -0.23 0.35 -0.87 0.00 0.00 176.83 176.69 3k3v n THR 48 N -2.68 0.00 -2.02 2.95 -2.24 -1.26 -0.48 114.28 108.55 3k3v n THR 48 Ca -0.00 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3k3v n THR 48 Cb 0.16 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 3k3v n THR 48 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k3v s LEU 49 N -2.74 4.38 -0.09 3.22 2.96 -0.80 -4.71 118.68 120.90 3k3v s LEU 49 Ca 0.20 2.59 -0.24 0.00 -0.22 0.00 0.00 54.13 56.45 3k3v s LEU 49 Cb 0.19 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3k3v s LEU 49 CO 0.56 -0.72 0.76 -1.10 -1.32 0.00 0.00 176.35 174.53 3k3v s GLN 50 N 0.28 4.41 0.22 1.98 -0.21 -1.26 -0.62 119.66 124.46 3k3v s GLN 50 Ca 0.63 0.96 0.07 0.00 0.02 0.00 0.00 55.36 57.04 3k3v s GLN 50 Cb -0.41 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.06 3k3v s GLN 50 CO 0.38 -0.05 -0.12 0.96 -2.12 0.00 0.00 175.29 174.33 3k3v s ILE 51 N 1.18 1.71 -0.04 1.08 -0.00 -0.02 -1.38 121.20 123.73 3k3v s ILE 51 Ca 0.39 -2.19 -0.02 0.00 -0.00 0.00 0.00 60.65 58.83 3k3v s ILE 51 Cb -0.18 -2.14 0.03 0.00 -0.00 0.00 0.00 42.46 40.17 3k3v s ILE 51 CO 0.18 -0.53 0.09 -0.55 -0.00 0.00 0.00 174.94 174.13 3k3v s SER 52 N -3.34 -0.05 -0.11 4.36 0.15 0.14 -1.94 113.70 112.91 3k3v s SER 52 Ca 0.24 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 3k3v s SER 52 Cb 0.00 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 3k3v s SER 52 CO 0.08 -0.11 0.56 -0.60 1.20 0.00 0.00 173.24 174.37 3k3v s ARG 53 N 0.79 4.36 0.27 5.44 3.52 -1.26 -0.69 118.95 131.39 3k3v s ARG 53 Ca -0.06 0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 55.84 3k3v s ARG 53 Cb -0.08 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.76 3k3v s ARG 53 CO -0.03 0.10 1.39 -0.51 -0.81 0.00 0.00 175.30 175.44 3k3v s LEU 54 N 0.76 4.40 -1.43 -0.88 1.02 0.37 -0.46 118.68 122.46 3k3v s LEU 54 Ca 0.30 2.65 -0.09 0.00 0.02 0.00 0.00 54.13 57.01 3k3v s LEU 54 Cb -0.16 -3.63 -0.09 0.00 0.02 0.00 0.00 46.19 42.33 3k3v s LEU 54 CO 0.13 -0.64 2.83 0.61 0.02 0.00 0.00 176.35 179.29 3k3v n GLY 55 N 1.83 3.98 0.18 -3.19 0.00 -1.26 -4.59 105.19 102.14 3k3v n GLY 55 Ca 0.05 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.77 3k3v n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k3v h SER 56 N 5.17 0.00 -5.02 1.61 4.64 -1.94 -3.45 113.55 114.56 3k3v h SER 56 Ca 0.78 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.93 3k3v h SER 56 Cb 0.30 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.21 3k3v h SER 56 CO 1.66 0.37 -0.70 0.42 -0.87 0.00 0.00 176.83 177.71 3k3v s THR 57 N -3.35 0.22 0.54 2.95 -4.23 -1.26 -5.14 115.64 105.36 3k3v s THR 57 Ca 0.02 -1.28 -0.22 0.00 -1.18 0.00 0.00 61.69 59.04 3k3v s THR 57 Cb 0.09 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 73.09 3k3v s THR 57 CO 0.69 -0.67 1.31 -2.65 -0.54 0.00 0.00 174.62 172.76 3k3v n PRO 58 N 1.01 1.64 -3.62 3.99 -0.02 -1.26 -5.02 135.00 131.72 3k3v n PRO 58 Ca -0.20 0.60 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 3k3v n PRO 58 Cb 0.57 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 3k3v n PRO 58 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3k3v s GLU 59 N -2.79 0.85 0.00 -0.52 4.04 -1.26 -5.07 118.70 113.96 3k3v s GLU 59 Ca 0.71 0.45 0.23 0.00 0.04 0.00 0.00 54.97 56.40 3k3v s GLU 59 Cb -0.43 0.40 0.17 0.00 0.02 0.00 0.00 34.13 34.30 3k3v s GLU 59 CO 0.50 -0.20 1.18 0.25 -1.84 0.00 0.00 175.26 175.15 3k3v n THR 60 N 1.77 0.00 0.19 1.83 -2.24 -1.26 -3.97 114.28 110.60 3k3v n THR 60 Ca -0.17 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3k3v n THR 60 Cb 0.56 0.65 0.38 0.00 -2.10 0.00 0.00 70.33 69.82 3k3v n THR 60 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3k3v h LEU 61 N 0.26 0.00 0.00 3.22 5.85 -2.03 -3.47 115.31 119.14 3k3v h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k3v h LEU 61 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3k3v h LEU 61 CO 0.00 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 3k3v n GLY 62 N -0.32 0.70 0.28 3.75 0.00 -1.25 -4.99 105.19 103.35 3k3v n GLY 62 Ca -0.02 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3k3v n GLY 62 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k3v n ILE 63 N -2.73 0.00 -1.71 -0.61 -5.35 -1.26 -4.90 119.36 102.81 3k3v n ILE 63 Ca 0.00 -0.15 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 3k3v n ILE 63 Cb 0.09 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 38.78 3k3v n ILE 63 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3k3v n ASN 64 N -0.62 3.86 0.00 7.28 3.02 -1.26 -2.89 115.26 124.65 3k3v n ASN 64 Ca 0.09 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 3k3v n ASN 64 Cb 0.39 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 3k3v n ASN 64 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3k3v n ASP 65 N 4.08 -4.97 -4.75 6.41 8.00 0.39 -4.88 116.55 120.82 3k3v n ASP 65 Ca 0.16 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 3k3v n ASP 65 Cb 0.34 -2.53 -0.06 0.00 -0.02 0.00 0.00 41.12 38.86 3k3v n ASP 65 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3k3v s ILE 66 N -1.33 3.71 -0.24 0.53 -4.36 -1.14 -4.99 121.20 113.39 3k3v s ILE 66 Ca 0.00 -1.62 -0.08 0.00 -0.26 0.00 0.00 60.65 58.69 3k3v s ILE 66 Cb 0.00 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 3k3v s ILE 66 CO 0.00 -0.30 0.09 -0.36 0.24 0.00 0.00 174.94 174.61 3k3v s PHE 67 N -2.28 3.15 0.23 1.37 0.08 -1.26 -4.16 117.98 115.12 3k3v s PHE 67 Ca 0.35 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.25 3k3v s PHE 67 Cb -0.06 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 3k3v s PHE 67 CO 0.23 -0.18 -0.01 0.96 -0.10 0.00 0.00 175.22 176.12 3k3v s ILE 68 N 1.31 1.08 0.64 0.64 -4.36 -0.82 -4.93 121.20 114.76 3k3v s ILE 68 Ca 0.05 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 3k3v s ILE 68 Cb -0.15 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 3k3v s ILE 68 CO 0.04 -0.34 1.04 0.42 0.24 0.00 0.00 174.94 176.34 3k3v s THR 69 N -3.39 4.44 0.20 8.37 -4.23 -1.26 -0.84 115.64 118.93 3k3v s THR 69 Ca 0.28 0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 61.50 3k3v s THR 69 Cb 0.05 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.32 3k3v s THR 69 CO 0.08 -1.01 1.78 -0.07 -0.54 0.00 0.00 174.62 174.86 3k3v h LEU 70 N -0.39 0.39 -0.84 4.79 3.38 -0.71 -0.74 115.31 121.19 3k3v h LEU 70 Ca -0.44 0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.65 3k3v h LEU 70 Cb 1.20 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 3k3v h LEU 70 CO 0.60 0.25 0.50 1.23 0.09 0.00 0.00 178.44 181.11 3k3v h GLY 71 N 0.53 1.28 1.11 0.83 0.00 -1.07 -0.33 103.07 105.42 3k3v h GLY 71 Ca 0.27 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 3k3v h GLY 71 CO -0.20 0.20 0.08 0.83 0.00 0.00 0.00 176.54 177.45 3k3v h GLU 72 N 0.88 1.08 -0.65 4.80 5.08 -1.62 -1.59 114.58 122.57 3k3v h GLU 72 Ca 0.38 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3k3v h GLU 72 Cb 0.25 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3k3v h GLU 72 CO -0.20 1.00 0.31 1.25 -1.00 0.00 0.00 179.01 180.36 3k3v h LEU 73 N 1.01 0.86 -0.50 1.33 5.85 -0.62 -1.25 115.31 121.99 3k3v h LEU 73 Ca 0.20 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3k3v h LEU 73 Cb 0.46 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3k3v h LEU 73 CO 0.02 0.76 0.21 0.24 -0.34 0.00 0.00 178.44 179.32 3k3v h MET 74 N 0.90 0.74 -0.66 1.25 2.86 -0.90 -1.01 114.93 118.10 3k3v h MET 74 Ca 0.22 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3k3v h MET 74 Cb 0.13 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3k3v h MET 74 CO -0.03 0.65 0.41 1.15 1.06 0.00 0.00 176.91 180.15 3k3v h THR 75 N 0.66 1.09 -0.52 2.22 2.02 -1.11 -1.39 112.91 115.88 3k3v h THR 75 Ca 0.17 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3k3v h THR 75 Cb 0.18 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3k3v h THR 75 CO -0.02 0.15 0.32 0.11 0.37 0.00 0.00 175.52 176.46 3k3v h LYS 76 N 0.82 0.70 0.00 6.66 1.57 -0.85 -2.92 116.57 122.54 3k3v h LYS 76 Ca 0.27 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3k3v h LYS 76 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3k3v h LYS 76 CO -0.10 0.49 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.91 3k3v h LEU 77 N 0.70 0.00 -2.11 2.94 3.38 -0.76 -2.81 115.31 116.65 3k3v h LEU 77 Ca 0.19 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3k3v h LEU 77 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3k3v h LEU 77 CO -0.04 0.29 0.11 -0.33 0.09 0.00 0.00 178.44 178.56 3k3v h GLU 78 N 0.00 0.00 -0.27 1.13 5.08 -1.06 -2.21 114.58 117.25 3k3v h GLU 78 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3k3v h GLU 78 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3k3v h GLU 78 CO 0.04 0.00 0.19 0.87 -1.00 0.00 0.00 179.01 179.11 3k3v h LYS 79 N 0.00 0.07 0.00 2.33 1.79 -1.57 -1.52 116.57 117.68 3k3v h LYS 79 Ca 0.06 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 3k3v h LYS 79 Cb 0.27 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3k3v h LYS 79 CO -0.00 0.05 -0.30 1.88 -1.08 0.00 0.00 179.45 180.00 3k3v h TYR 80 N 0.08 0.00 -3.34 -1.35 0.05 -1.60 -3.39 116.97 107.42 3k3v h TYR 80 Ca 0.12 0.00 -0.77 0.00 0.05 0.00 0.00 58.73 58.13 3k3v h TYR 80 Cb 0.40 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 37.90 3k3v h TYR 80 CO -0.00 0.30 0.46 0.34 -1.05 0.00 0.00 178.16 178.22 3k3v s ASP 81 N -6.31 6.96 0.23 3.88 2.15 -0.57 -4.87 116.67 118.14 3k3v s ASP 81 Ca 0.01 -2.92 0.16 0.00 0.43 0.00 0.00 52.55 50.23 3k3v s ASP 81 Cb 0.10 -2.26 0.03 0.00 -0.30 0.00 0.00 42.92 40.49 3k3v s ASP 81 CO 0.67 -0.57 1.27 0.71 -0.17 0.00 0.00 175.17 177.07 3k3v h THR 82 N 4.57 0.66 -1.42 1.71 1.35 -1.78 -3.48 112.91 114.52 3k3v h THR 82 Ca 0.16 -2.01 0.20 0.00 -0.55 0.00 0.00 66.41 64.21 3k3v h THR 82 Cb 0.97 2.24 -0.22 0.00 -1.73 0.00 0.00 68.15 69.41 3k3v h THR 82 CO 0.94 0.38 0.78 1.51 -0.25 0.00 0.00 175.52 178.88 3k3v s ASP 83 N -6.21 -0.17 0.55 5.36 -4.77 -1.26 -5.06 116.67 105.12 3k3v s ASP 83 Ca 0.02 0.10 0.33 0.00 -3.30 0.00 0.00 52.55 49.70 3k3v s ASP 83 Cb 0.08 0.16 1.53 0.00 -1.09 0.00 0.00 42.92 43.60 3k3v s ASP 83 CO 0.76 -0.22 2.06 1.55 0.70 0.00 0.00 175.17 180.02 3k3v h PRO 84 N 2.14 0.00 0.07 2.11 0.13 -1.98 -2.34 132.00 132.13 3k3v h PRO 84 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3k3v h PRO 84 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3k3v h PRO 84 CO 0.25 0.06 -0.03 0.74 -0.23 0.00 0.00 178.00 178.79 3k3v h PHE 85 N 0.00 -0.09 -0.57 1.56 0.04 -1.99 0.29 116.94 116.19 3k3v h PHE 85 Ca -0.00 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3k3v h PHE 85 Cb 0.40 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3k3v h PHE 85 CO 0.00 0.46 0.11 1.79 -0.60 0.00 0.00 178.31 180.07 3k3v h THR 86 N -0.74 1.24 -0.63 -1.55 1.35 -1.99 -1.82 112.91 108.77 3k3v h THR 86 Ca -0.01 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 64.91 3k3v h THR 86 Cb 0.59 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 3k3v h THR 86 CO 0.02 0.33 0.20 0.74 -0.25 0.00 0.00 175.52 176.56 3k3v h THR 87 N 0.85 1.25 -0.01 6.82 2.02 -1.41 -0.32 112.91 122.11 3k3v h THR 87 Ca 0.18 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.53 3k3v h THR 87 Cb 0.35 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3k3v h THR 87 CO 0.00 0.32 -0.03 0.15 0.37 0.00 0.00 175.52 176.33 3k3v h PHE 88 N 0.90 -0.07 -0.71 3.16 3.57 -0.72 -2.33 116.94 120.74 3k3v h PHE 88 Ca 0.20 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3k3v h PHE 88 Cb 0.28 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3k3v h PHE 88 CO 0.02 -0.05 0.37 -0.44 -2.23 0.00 0.00 178.31 175.99 3k3v h ASP 89 N -0.05 0.88 0.05 0.41 5.19 -1.12 0.25 116.42 122.03 3k3v h ASP 89 Ca 0.01 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 3k3v h ASP 89 Cb 0.07 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3k3v h ASP 89 CO -0.04 0.72 -0.15 0.11 -3.12 0.00 0.00 179.24 176.77 3k3v h LYS 90 N 0.99 0.22 0.02 3.56 1.57 -0.85 -1.64 116.57 120.43 3k3v h LYS 90 Ca 0.25 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.69 3k3v h LYS 90 Cb 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3k3v h LYS 90 CO -0.04 0.37 -1.62 -0.07 -0.57 0.00 0.00 179.45 177.53 3k3v h LEU 91 N 0.20 0.07 0.00 2.94 3.38 -0.86 -3.44 115.31 117.61 3k3v h LEU 91 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3k3v h LEU 91 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k3v h LEU 91 CO 0.02 1.11 -1.03 1.41 0.09 0.00 0.00 178.44 180.05 3k3v n HIS 92 N -3.16 0.00 1.02 1.13 8.25 0.03 -5.12 115.22 117.37 3k3v n HIS 92 Ca -0.16 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.42 3k3v n HIS 92 Cb 1.03 -0.03 0.11 0.00 1.12 0.00 0.00 29.99 32.23 3k3v n HIS 92 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26