#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp4 h ARG 4 N 0.00 0.24 -0.02 -0.14 0.11 -2.07 -3.32 114.38 109.18 3kp4 h ARG 4 Ca 0.00 -0.41 -0.15 0.00 0.10 0.00 0.00 59.98 59.51 3kp4 h ARG 4 Cb 0.00 0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 3kp4 h ARG 4 CO 0.00 1.09 -0.70 0.82 0.10 0.00 0.00 179.97 181.28 3kp4 h ILE 5 N 0.07 1.47 -0.99 0.08 1.08 -2.05 -3.20 117.51 113.96 3kp4 h ILE 5 Ca -0.27 -2.30 0.12 0.00 -0.39 0.00 0.00 64.86 62.02 3kp4 h ILE 5 Cb 2.02 2.23 -0.08 0.00 -3.07 0.00 0.00 36.82 37.92 3kp4 h ILE 5 CO 0.15 0.67 0.63 -0.33 -0.69 0.00 0.00 178.15 178.57 3kp4 h GLU 6 N 0.06 0.95 -0.49 2.37 5.08 -2.00 0.12 114.58 120.68 3kp4 h GLU 6 Ca -0.01 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3kp4 h GLU 6 Cb 1.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3kp4 h GLU 6 CO 0.10 0.63 -0.14 0.22 -1.00 0.00 0.00 179.01 178.82 3kp4 h ASP 7 N 0.98 0.96 -0.44 1.42 3.58 -1.70 -1.26 116.42 119.97 3kp4 h ASP 7 Ca 0.48 -0.37 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3kp4 h ASP 7 Cb 0.47 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3kp4 h ASP 7 CO -0.24 1.11 0.07 0.45 -2.88 0.00 0.00 179.24 177.74 3kp4 h HIS 8 N 0.80 0.77 -0.64 0.28 3.86 -1.39 -2.47 115.15 116.36 3kp4 h HIS 8 Ca 0.12 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3kp4 h HIS 8 Cb 0.70 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 3kp4 h HIS 8 CO 0.05 0.73 0.34 0.82 0.86 0.00 0.00 177.93 180.73 3kp4 h ILE 9 N 0.58 1.21 -0.43 2.45 2.04 -0.70 0.59 117.51 123.24 3kp4 h ILE 9 Ca 0.13 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3kp4 h ILE 9 Cb 0.38 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3kp4 h ILE 9 CO 0.01 0.23 0.27 0.28 0.00 0.00 0.00 178.15 178.95 3kp4 h SER 10 N 0.88 0.46 -0.46 1.72 0.02 -1.12 -1.02 113.55 114.03 3kp4 h SER 10 Ca 0.22 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3kp4 h SER 10 Cb 0.07 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3kp4 h SER 10 CO -0.03 0.33 -0.09 0.15 -1.14 0.00 0.00 176.83 176.05 3kp4 h PHE 11 N 0.56 1.01 -0.26 3.45 3.57 -1.11 0.17 116.94 124.32 3kp4 h PHE 11 Ca 0.17 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3kp4 h PHE 11 Cb -0.03 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3kp4 h PHE 11 CO -0.06 0.95 0.12 1.25 -2.23 0.00 0.00 178.31 178.35 3kp4 h LEU 12 N 0.83 0.34 -0.85 0.59 5.85 -0.62 0.97 115.31 122.42 3kp4 h LEU 12 Ca 0.14 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kp4 h LEU 12 Cb 0.61 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3kp4 h LEU 12 CO 0.04 0.38 0.38 -0.33 -0.34 0.00 0.00 178.44 178.56 3kp4 h GLU 13 N 0.29 1.21 0.12 1.25 5.08 -0.95 0.27 114.58 121.84 3kp4 h GLU 13 Ca 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3kp4 h GLU 13 Cb 0.12 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kp4 h GLU 13 CO -0.01 0.94 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.67 3kp4 h LYS 14 N 1.19 -0.16 -0.17 2.33 3.64 -0.27 0.43 116.57 123.56 3kp4 h LYS 14 Ca 0.28 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 3kp4 h LYS 14 Cb 0.15 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3kp4 h LYS 14 CO -0.03 0.16 -0.34 0.35 -2.27 0.00 0.00 179.45 177.32 3kp4 h PHE 15 N -0.49 -0.96 -0.54 1.91 3.57 0.13 0.98 116.94 121.54 3kp4 h PHE 15 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kp4 h PHE 15 Cb 0.39 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 3kp4 h PHE 15 CO 0.03 -0.41 0.34 0.82 -2.23 0.00 0.00 178.31 176.86 3kp4 h ILE 16 N -0.40 1.15 -0.25 1.41 2.04 -0.49 -1.21 117.51 119.76 3kp4 h ILE 16 Ca 0.10 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3kp4 h ILE 16 Cb 0.56 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3kp4 h ILE 16 CO -0.39 0.15 -0.01 -1.13 0.00 0.00 0.00 178.15 176.77 3kp4 h ASN 17 N 0.74 -0.11 -0.11 1.72 -1.24 0.12 -1.74 115.58 114.97 3kp4 h ASN 17 Ca 0.20 0.06 -0.11 0.00 0.71 0.00 0.00 56.30 57.16 3kp4 h ASN 17 Cb -0.06 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 3kp4 h ASN 17 CO -0.04 -0.02 -0.27 0.44 -1.29 0.00 0.00 177.43 176.25 3kp4 h ASP 18 N 0.07 0.57 -0.48 1.15 3.32 -0.09 -1.66 116.42 119.30 3kp4 h ASP 18 Ca 0.12 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kp4 h ASP 18 Cb 0.16 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3kp4 h ASP 18 CO -0.21 0.82 0.31 0.58 -1.72 0.00 0.00 179.24 179.02 3kp4 h VAL 19 N 0.49 1.09 0.07 -1.35 2.07 -0.85 0.18 116.25 117.96 3kp4 h VAL 19 Ca 0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kp4 h VAL 19 Cb 0.72 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3kp4 h VAL 19 CO 0.06 0.11 -0.03 0.78 0.02 0.00 0.00 177.57 178.50 3kp4 h ASN 20 N 0.62 -0.08 -0.32 0.57 2.35 -1.20 -2.09 115.58 115.42 3kp4 h ASN 20 Ca 0.18 -0.22 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3kp4 h ASN 20 Cb -0.03 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.28 3kp4 h ASN 20 CO -0.06 0.17 -0.22 0.74 -1.65 0.00 0.00 177.43 176.41 3kp4 h THR 21 N -0.34 0.40 -0.62 2.81 2.02 -0.93 -1.57 112.91 114.69 3kp4 h THR 21 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 3kp4 h THR 21 Cb 0.29 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 3kp4 h THR 21 CO 0.02 0.00 0.35 0.25 0.37 0.00 0.00 175.52 176.50 3kp4 h LEU 22 N -0.19 0.52 -0.82 2.58 5.85 -0.59 -2.44 115.31 120.22 3kp4 h LEU 22 Ca 0.16 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3kp4 h LEU 22 Cb 0.44 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3kp4 h LEU 22 CO -0.43 0.35 0.23 0.74 -0.34 0.00 0.00 178.44 178.99 3kp4 h THR 23 N 0.66 1.26 -0.40 1.05 2.02 -0.83 -0.25 112.91 116.41 3kp4 h THR 23 Ca 0.27 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3kp4 h THR 23 Cb 0.14 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3kp4 h THR 23 CO -0.16 0.35 0.26 0.00 0.37 0.00 0.00 175.52 176.34 3kp4 h ALA 24 N 1.18 0.51 -0.21 6.16 0.00 -0.92 0.21 119.26 126.19 3kp4 h ALA 24 Ca 0.23 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3kp4 h ALA 24 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kp4 h ALA 24 CO -0.01 -0.05 -0.53 0.87 0.00 0.00 0.00 179.25 179.54 3kp4 h LYS 25 N 0.53 0.60 0.00 0.00 1.57 -1.25 -2.58 116.57 115.44 3kp4 h LYS 25 Ca 0.15 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3kp4 h LYS 25 Cb -0.05 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3kp4 h LYS 25 CO -0.04 0.98 0.00 -0.07 -0.57 0.00 0.00 179.45 179.75 3kp4 h LEU 26 N 0.47 0.00 -0.62 2.94 3.38 -0.53 -3.29 115.31 117.66 3kp4 h LEU 26 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kp4 h LEU 26 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kp4 h LEU 26 CO 0.10 0.00 -0.21 0.18 0.09 0.00 0.00 178.44 178.60 3kp4 n LEU 27 N -3.07 1.02 0.10 1.67 4.77 0.68 -4.74 117.00 117.43 3kp4 n LEU 27 Ca 0.02 -0.73 -0.16 0.00 -0.03 0.00 0.00 56.01 55.11 3kp4 n LEU 27 Cb 0.39 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3kp4 n LEU 27 CO 0.30 0.21 0.51 0.50 -1.33 0.00 0.00 177.39 177.58 3kp4 h LYS 28 N 0.83 -0.69 -0.01 3.23 3.64 -1.53 0.30 116.57 122.33 3kp4 h LYS 28 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3kp4 h LYS 28 Cb 0.28 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3kp4 h LYS 28 CO 0.00 -0.46 0.01 -0.44 -2.27 0.00 0.00 179.45 176.29 3kp4 h ASP 29 N -0.72 0.00 0.62 4.20 5.19 -1.85 0.35 116.42 124.21 3kp4 h ASP 29 Ca -0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 3kp4 h ASP 29 Cb 0.73 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 3kp4 h ASP 29 CO -0.29 0.00 -1.37 0.25 -3.12 0.00 0.00 179.24 174.71 3kp4 h LEU 30 N 0.00 0.27 -0.31 1.55 5.85 -1.64 -1.28 115.31 119.75 3kp4 h LEU 30 Ca 0.00 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.22 3kp4 h LEU 30 Cb 0.02 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3kp4 h LEU 30 CO -0.00 1.28 -0.41 1.56 -0.34 0.00 0.00 178.44 180.53 3kp4 h GLN 31 N 0.05 0.82 -0.27 1.25 4.20 0.81 -2.07 115.11 119.90 3kp4 h GLN 31 Ca -0.17 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 3kp4 h GLN 31 Cb 1.95 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.76 3kp4 h GLN 31 CO 0.16 1.10 0.11 1.15 -0.67 0.00 0.00 178.83 180.68 3kp4 h THR 32 N 0.59 1.16 -0.78 -0.54 2.02 -0.42 0.32 112.91 115.27 3kp4 h THR 32 Ca 0.04 -0.49 0.15 0.00 0.77 0.00 0.00 66.41 66.88 3kp4 h THR 32 Cb 1.00 1.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.31 3kp4 h THR 32 CO 0.10 0.17 0.33 -0.08 0.37 0.00 0.00 175.52 176.40 3kp4 h GLU 33 N 0.28 0.45 -0.00 6.66 4.81 -1.05 0.41 114.58 126.15 3kp4 h GLU 33 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kp4 h GLU 33 Cb 0.16 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kp4 h GLU 33 CO -0.01 0.30 -0.07 0.66 -0.73 0.00 0.00 179.01 179.16 3kp4 n TYR 34 N -4.99 0.00 -3.09 0.92 4.02 -0.79 -4.94 117.16 108.29 3kp4 n TYR 34 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.91 3kp4 n TYR 34 Cb 0.44 -0.12 0.06 0.00 -0.02 0.00 0.00 39.34 39.70 3kp4 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp4 n GLY 35 N 1.21 -0.13 3.16 2.72 0.00 0.15 -5.04 105.19 107.25 3kp4 n GLY 35 Ca 0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3kp4 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kp4 s ILE 36 N -3.25 0.70 0.71 -0.61 -4.36 0.58 -4.99 121.20 109.98 3kp4 s ILE 36 Ca 0.10 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.57 3kp4 s ILE 36 Cb -0.04 -1.55 0.05 0.00 1.25 0.00 0.00 42.46 42.16 3kp4 s ILE 36 CO 0.53 -0.80 1.05 -0.94 0.24 0.00 0.00 174.94 175.01 3kp4 s SER 37 N -2.86 4.93 0.05 4.36 1.04 -1.26 -4.23 113.70 115.74 3kp4 s SER 37 Ca 0.09 0.65 -0.21 0.00 0.48 0.00 0.00 55.95 56.96 3kp4 s SER 37 Cb 0.03 -1.33 -0.12 0.00 0.10 0.00 0.00 66.02 64.70 3kp4 s SER 37 CO -0.04 -1.56 1.44 0.00 0.98 0.00 0.00 173.24 174.06 3kp4 h ALA 38 N -0.65 0.22 -0.76 5.32 0.00 -1.98 -2.35 119.26 119.06 3kp4 h ALA 38 Ca -0.45 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.33 3kp4 h ALA 38 Cb 1.30 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3kp4 h ALA 38 CO 0.62 -0.01 0.50 1.05 0.00 0.00 0.00 179.25 181.41 3kp4 h GLU 39 N 0.02 0.59 0.00 0.00 9.09 -2.00 0.53 114.58 122.82 3kp4 h GLU 39 Ca 0.04 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 3kp4 h GLU 39 Cb 0.48 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 3kp4 h GLU 39 CO 0.02 0.39 -0.35 1.96 0.05 0.00 0.00 179.01 181.08 3kp4 h GLN 40 N 0.61 0.00 -0.13 1.06 4.20 -1.88 -2.62 115.11 116.35 3kp4 h GLN 40 Ca 0.36 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.00 3kp4 h GLN 40 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3kp4 h GLN 40 CO -0.13 0.35 -0.18 1.03 -0.67 0.00 0.00 178.83 179.23 3kp4 h SER 41 N 0.00 0.38 -0.79 1.46 0.87 0.51 -2.85 113.55 113.13 3kp4 h SER 41 Ca -0.00 -0.52 0.16 0.00 -1.23 0.00 0.00 61.79 60.20 3kp4 h SER 41 Cb 0.64 -0.11 -0.11 0.00 -0.44 0.00 0.00 62.40 62.38 3kp4 h SER 41 CO 0.05 0.83 0.29 -0.74 -0.53 0.00 0.00 176.83 176.73 3kp4 h HIS 42 N -0.06 0.49 -0.19 2.24 6.17 -0.66 0.40 115.15 123.54 3kp4 h HIS 42 Ca 0.01 0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.18 3kp4 h HIS 42 Cb 0.75 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 30.53 3kp4 h HIS 42 CO 0.10 0.01 -0.10 0.28 0.71 0.00 0.00 177.93 178.92 3kp4 h VAL 43 N 0.40 0.68 -0.82 5.26 2.07 -1.40 0.54 116.25 122.97 3kp4 h VAL 43 Ca 0.45 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.94 3kp4 h VAL 43 Cb 0.74 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3kp4 h VAL 43 CO -0.46 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.47 3kp4 h LEU 44 N -0.09 1.07 -0.39 2.57 3.38 -0.49 -2.06 115.31 119.29 3kp4 h LEU 44 Ca 0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kp4 h LEU 44 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kp4 h LEU 44 CO -0.25 0.89 0.03 -1.13 0.09 0.00 0.00 178.44 178.08 3kp4 h ASN 45 N 1.17 0.65 0.55 -0.43 -0.00 0.58 -1.80 115.58 116.30 3kp4 h ASN 45 Ca 0.28 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 3kp4 h ASN 45 Cb 0.10 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.25 3kp4 h ASN 45 CO -0.04 0.78 -0.03 0.24 -0.00 0.00 0.00 177.43 178.39 3kp4 h MET 46 N 0.51 0.00 -0.42 6.67 2.86 0.29 -1.18 114.93 123.66 3kp4 h MET 46 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3kp4 h MET 46 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3kp4 h MET 46 CO 0.01 0.03 0.00 1.28 1.06 0.00 0.00 176.91 179.29 3kp4 n LEU 47 N -3.18 3.53 -0.00 1.22 4.77 -0.80 -3.81 117.00 118.72 3kp4 n LEU 47 Ca -0.01 -1.54 -0.14 0.00 -0.03 0.00 0.00 56.01 54.29 3kp4 n LEU 47 Cb 0.21 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 3kp4 n LEU 47 CO 0.25 0.77 -0.62 0.77 -1.33 0.00 0.00 177.39 177.23 3kp4 h SER 48 N 4.51 0.19 -0.02 -1.43 4.64 -0.36 -3.38 113.55 117.70 3kp4 h SER 48 Ca 0.00 -0.42 -0.14 0.00 -0.47 0.00 0.00 61.79 60.76 3kp4 h SER 48 Cb 1.00 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3kp4 h SER 48 CO 0.00 1.37 -0.52 0.40 -0.87 0.00 0.00 176.83 177.21 3kp4 h ILE 49 N 0.03 1.43 -2.34 0.95 5.03 -1.70 -3.48 117.51 117.43 3kp4 h ILE 49 Ca -0.34 -2.00 0.08 0.00 -0.12 0.00 0.00 64.86 62.48 3kp4 h ILE 49 Cb 2.02 2.54 -0.15 0.00 -3.03 0.00 0.00 36.82 38.20 3kp4 h ILE 49 CO 0.09 0.58 0.44 -1.83 -0.68 0.00 0.00 178.15 176.74 3kp4 s GLU 50 N -3.30 0.89 0.61 2.37 -1.05 -1.25 -5.17 118.70 111.81 3kp4 s GLU 50 Ca -0.14 -0.27 -0.16 0.00 -0.15 0.00 0.00 54.97 54.25 3kp4 s GLU 50 Cb 0.03 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3kp4 s GLU 50 CO 0.81 -0.38 1.08 0.00 0.95 0.00 0.00 175.26 177.72 3kp4 s ALA 51 N -3.00 2.65 0.30 -0.84 0.00 -1.26 -4.01 121.76 115.60 3kp4 s ALA 51 Ca 0.03 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 3kp4 s ALA 51 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3kp4 s ALA 51 CO -0.08 -0.96 0.47 -0.51 0.00 0.00 0.00 175.76 174.68 3kp4 s LEU 52 N -4.59 0.73 0.00 0.00 1.43 -1.19 -5.04 118.68 110.03 3kp4 s LEU 52 Ca 0.65 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3kp4 s LEU 52 Cb -0.18 1.57 0.00 0.00 0.03 0.00 0.00 46.19 47.62 3kp4 s LEU 52 CO 0.38 -1.24 0.00 0.35 0.23 0.00 0.00 176.35 176.07 3kp4 n THR 53 N -0.48 0.00 0.08 5.49 -2.24 -1.26 -3.39 114.28 112.48 3kp4 n THR 53 Ca -0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 3kp4 n THR 53 Cb 0.62 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 3kp4 n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kp4 h VAL 54 N 0.65 0.44 -0.21 2.28 2.07 -1.93 -2.91 116.25 116.64 3kp4 h VAL 54 Ca 0.00 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3kp4 h VAL 54 Cb 0.00 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3kp4 h VAL 54 CO 0.00 0.12 -0.25 1.23 0.02 0.00 0.00 177.57 178.69 3kp4 h GLY 55 N -0.99 -0.20 -0.97 2.17 0.00 -1.98 0.92 103.07 102.01 3kp4 h GLY 55 Ca -0.03 0.31 0.15 0.00 0.00 0.00 0.00 47.33 47.76 3kp4 h GLY 55 CO 0.05 -0.20 -0.39 1.46 0.00 0.00 0.00 176.54 177.45 3kp4 h GLN 56 N -0.27 -0.01 -0.01 4.80 4.20 -1.98 -0.93 115.11 120.92 3kp4 h GLN 56 Ca 0.13 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3kp4 h GLN 56 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 3kp4 h GLN 56 CO -0.37 -0.01 -0.33 0.97 -0.67 0.00 0.00 178.83 178.42 3kp4 h ILE 57 N -0.01 1.50 -0.93 2.54 2.10 -1.00 -2.40 117.51 119.32 3kp4 h ILE 57 Ca 0.33 -1.94 0.26 0.00 1.08 0.00 0.00 64.86 64.60 3kp4 h ILE 57 Cb 0.59 2.66 -0.04 0.00 -1.09 0.00 0.00 36.82 38.94 3kp4 h ILE 57 CO -0.97 0.54 0.66 0.74 -1.08 0.00 0.00 178.15 178.04 3kp4 h THR 58 N -0.36 0.55 -0.01 2.19 2.02 0.18 0.02 112.91 117.49 3kp4 h THR 58 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3kp4 h THR 58 Cb 1.06 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3kp4 h THR 58 CO 0.07 0.01 -0.09 -0.62 0.37 0.00 0.00 175.52 175.26 3kp4 n GLU 59 N -4.31 1.17 -0.10 6.66 -0.58 -0.44 -1.88 120.64 121.17 3kp4 n GLU 59 Ca 0.19 -1.03 -0.13 0.00 -0.42 0.00 0.00 57.16 55.77 3kp4 n GLU 59 Cb 0.95 -1.20 -0.04 0.00 -0.57 0.00 0.00 31.44 30.58 3kp4 n GLU 59 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3kp4 h LYS 60 N 2.04 0.66 -0.08 3.49 3.11 -0.44 -3.21 116.57 122.14 3kp4 h LYS 60 Ca 0.00 -0.32 -0.11 0.00 -2.81 0.00 0.00 60.65 57.41 3kp4 h LYS 60 Cb 0.48 -0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 31.53 3kp4 h LYS 60 CO 0.00 0.92 -0.72 1.04 -2.81 0.00 0.00 179.45 177.87 3kp4 n GLN 61 N -4.34 1.25 -0.71 1.90 1.13 -1.19 -5.06 117.38 110.37 3kp4 n GLN 61 Ca -0.03 -2.97 0.00 0.00 -1.94 0.00 0.00 57.00 52.06 3kp4 n GLN 61 Cb 0.42 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.62 3kp4 n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kp4 n GLY 62 N -0.55 0.00 3.84 1.08 0.00 -1.12 -4.96 105.19 103.48 3kp4 n GLY 62 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3kp4 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp4 s VAL 63 N -0.00 1.51 0.52 1.61 1.01 -0.79 -4.99 120.40 119.28 3kp4 s VAL 63 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 61.98 60.28 3kp4 s VAL 63 Cb 0.00 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 3kp4 s VAL 63 CO 0.00 0.00 -0.05 -3.20 0.00 0.00 0.00 175.10 171.85 3kp4 n ASN 64 N -1.55 -2.05 0.00 3.32 5.15 -1.26 -4.85 115.26 114.01 3kp4 n ASN 64 Ca -0.08 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 3kp4 n ASN 64 Cb 0.65 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 3kp4 n ASN 64 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3kp4 n LYS 65 N 1.96 0.00 0.00 1.20 4.01 -1.26 -4.22 118.16 119.85 3kp4 n LYS 65 Ca 0.00 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 3kp4 n LYS 65 Cb 0.03 -0.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.87 3kp4 n LYS 65 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kp4 n ALA 66 N -0.97 2.47 -1.26 7.82 0.00 -1.26 -3.67 120.51 123.65 3kp4 n ALA 66 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3kp4 n ALA 66 Cb 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 18.64 3kp4 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kp4 n ALA 67 N -0.39 5.31 0.00 0.00 0.00 -1.26 -3.66 120.51 120.50 3kp4 n ALA 67 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.53 3kp4 n ALA 67 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3kp4 n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kp4 n VAL 68 N -1.08 0.00 0.11 0.00 0.31 -1.24 -4.74 118.33 111.69 3kp4 n VAL 68 Ca 0.54 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.73 3kp4 n VAL 68 Cb 1.54 -0.25 -0.07 0.00 -0.91 0.00 0.00 33.84 34.16 3kp4 n VAL 68 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3kp4 h SER 69 N 0.00 -1.17 -0.77 4.52 0.02 -1.74 -0.81 113.55 113.60 3kp4 h SER 69 Ca 0.00 0.13 0.14 0.00 -0.84 0.00 0.00 61.79 61.22 3kp4 h SER 69 Cb 0.13 0.44 -0.09 0.00 0.14 0.00 0.00 62.40 63.02 3kp4 h SER 69 CO 0.00 -0.47 0.34 0.08 -1.14 0.00 0.00 176.83 175.64 3kp4 h ARG 70 N -0.63 0.49 -0.37 3.45 0.11 -1.89 0.90 114.38 116.44 3kp4 h ARG 70 Ca 0.02 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 3kp4 h ARG 70 Cb 0.66 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 3kp4 h ARG 70 CO -0.24 0.32 0.04 0.00 0.10 0.00 0.00 179.97 180.20 3kp4 h ARG 71 N 0.50 0.56 0.14 0.08 2.47 -1.74 -2.66 114.38 113.73 3kp4 h ARG 71 Ca 0.42 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 3kp4 h ARG 71 Cb 0.61 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 3kp4 h ARG 71 CO -0.38 0.56 -0.07 0.28 0.56 0.00 0.00 179.97 180.92 3kp4 h VAL 72 N 0.54 1.01 0.00 2.04 2.07 0.61 -3.18 116.25 119.34 3kp4 h VAL 72 Ca 0.12 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3kp4 h VAL 72 Cb 0.29 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3kp4 h VAL 72 CO 0.01 0.17 -0.27 0.11 0.02 0.00 0.00 177.57 177.61 3kp4 h LYS 73 N -0.55 0.00 -0.77 1.57 1.57 -1.36 -2.89 116.57 114.14 3kp4 h LYS 73 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3kp4 h LYS 73 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 3kp4 h LYS 73 CO 0.03 0.27 0.44 0.87 -0.57 0.00 0.00 179.45 180.49 3kp4 h LYS 74 N 0.00 1.07 0.00 3.15 1.57 -1.49 -2.48 116.57 118.38 3kp4 h LYS 74 Ca -0.00 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3kp4 h LYS 74 Cb 0.61 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3kp4 h LYS 74 CO 0.03 0.78 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.19 3kp4 h LEU 75 N 1.06 0.00 -0.25 2.94 3.38 -1.49 -1.13 115.31 119.82 3kp4 h LEU 75 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3kp4 h LEU 75 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kp4 h LEU 75 CO -0.05 0.43 -0.05 -0.07 0.09 0.00 0.00 178.44 178.79 3kp4 h LEU 76 N 0.00 0.47 -1.14 1.67 3.38 -1.41 -1.09 115.31 117.19 3kp4 h LEU 76 Ca -0.00 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 3kp4 h LEU 76 Cb 0.86 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3kp4 h LEU 76 CO 0.06 0.72 0.01 0.78 0.09 0.00 0.00 178.44 180.10 3kp4 h ASN 77 N 0.21 0.58 0.74 -0.43 2.35 -1.22 -0.36 115.58 117.46 3kp4 h ASN 77 Ca 0.06 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3kp4 h ASN 77 Cb 0.51 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3kp4 h ASN 77 CO 0.02 0.64 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 3kp4 n ALA 78 N -2.47 2.10 -3.39 -0.83 0.00 -0.45 -4.90 120.51 110.57 3kp4 n ALA 78 Ca 0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 3kp4 n ALA 78 Cb 0.26 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.39 3kp4 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp4 n GLU 79 N -1.46 -6.70 0.00 0.00 1.02 -0.15 -4.88 120.64 108.47 3kp4 n GLU 79 Ca 0.07 0.76 0.06 0.00 -0.02 0.00 0.00 57.16 58.03 3kp4 n GLU 79 Cb 0.26 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.09 3kp4 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp4 n LEU 80 N -4.40 0.79 -4.01 -4.62 4.77 -0.51 -4.26 117.00 104.76 3kp4 n LEU 80 Ca -0.01 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.31 3kp4 n LEU 80 Cb 0.56 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 3kp4 n LEU 80 CO 0.56 0.18 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.82 3kp4 s VAL 81 N -1.96 0.19 0.00 4.08 1.01 -1.13 -2.04 120.40 120.56 3kp4 s VAL 81 Ca 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3kp4 s VAL 81 Cb 0.09 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3kp4 s VAL 81 CO 0.44 -0.87 -0.02 -0.75 0.00 0.00 0.00 175.10 173.90 3kp4 s LYS 82 N -3.75 0.14 0.49 2.72 2.47 0.23 -4.42 119.74 117.61 3kp4 s LYS 82 Ca 0.05 -0.10 0.28 0.00 -1.56 0.00 0.00 55.97 54.64 3kp4 s LYS 82 Cb 0.06 -0.11 1.02 0.00 -1.46 0.00 0.00 37.83 37.35 3kp4 s LYS 82 CO -0.10 0.03 1.86 1.25 0.16 0.00 0.00 175.35 178.55 3kp4 h LEU 83 N 5.99 0.00 -4.87 5.43 6.46 -1.95 0.40 115.31 126.77 3kp4 h LEU 83 Ca -0.26 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.37 3kp4 h LEU 83 Cb 1.21 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 3kp4 h LEU 83 CO 0.50 0.11 0.69 1.21 -0.62 0.00 0.00 178.44 180.33 3kp4 n GLU 84 N -3.22 0.99 0.00 1.25 2.13 -1.26 -3.59 120.64 116.94 3kp4 n GLU 84 Ca 0.01 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.21 3kp4 n GLU 84 Cb 0.40 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3kp4 n GLU 84 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3kp4 n LYS 95 N 3.25 0.00 0.12 5.31 4.76 -1.26 -4.06 118.16 126.28 3kp4 n LYS 95 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3kp4 n LYS 95 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 3kp4 n LYS 95 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kp4 n ILE 96 N 0.00 0.00 -2.28 -0.18 5.41 -1.26 -4.89 119.36 116.16 3kp4 n ILE 96 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kp4 n ILE 96 Cb 0.00 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 3kp4 n ILE 96 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3kp4 n ILE 97 N -3.12 -0.36 -4.22 1.39 5.41 -1.22 -3.96 119.36 113.28 3kp4 n ILE 97 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3kp4 n ILE 97 Cb 0.00 -1.78 -0.10 0.00 -0.71 0.00 0.00 39.64 37.05 3kp4 n ILE 97 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3kp4 s LYS 98 N 0.00 1.07 0.49 0.38 2.20 0.14 -3.14 119.74 120.89 3kp4 s LYS 98 Ca 0.00 -1.51 -0.20 0.00 -0.36 0.00 0.00 55.97 53.89 3kp4 s LYS 98 Cb 0.00 -0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 3kp4 s LYS 98 CO 0.00 -0.15 1.07 -0.51 -0.36 0.00 0.00 175.35 175.40 3kp4 s LEU 99 N -3.15 3.85 0.00 5.43 1.43 -1.26 0.77 118.68 125.75 3kp4 s LEU 99 Ca 0.24 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3kp4 s LEU 99 Cb 0.06 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3kp4 s LEU 99 CO 0.03 -0.87 0.01 -1.54 0.23 0.00 0.00 176.35 174.21 3kp4 n SER 100 N -0.96 0.01 0.03 2.29 3.41 -0.86 -4.53 113.62 113.02 3kp4 n SER 100 Ca 0.09 -1.01 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 3kp4 n SER 100 Cb 0.52 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 3kp4 n SER 100 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3kp4 h ASN 101 N 0.00 -0.15 -0.05 4.04 -1.24 -1.84 -1.98 115.58 114.36 3kp4 h ASN 101 Ca -0.00 -0.38 0.01 0.00 0.71 0.00 0.00 56.30 56.64 3kp4 h ASN 101 Cb 0.01 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 3kp4 h ASN 101 CO 0.00 0.45 0.08 0.50 -1.29 0.00 0.00 177.43 177.18 3kp4 h LYS 102 N -0.90 0.00 0.15 6.67 3.64 -1.88 0.18 116.57 124.43 3kp4 h LYS 102 Ca -0.02 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 3kp4 h LYS 102 Cb 0.52 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3kp4 h LYS 102 CO 0.03 0.00 -1.28 0.78 -2.27 0.00 0.00 179.45 176.71 3kp4 h GLY 103 N 0.00 0.41 1.87 5.01 0.00 -1.62 -3.00 103.07 105.74 3kp4 h GLY 103 Ca 0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 47.33 46.28 3kp4 h GLY 103 CO -0.00 0.89 -0.23 0.50 0.00 0.00 0.00 176.54 177.70 3kp4 h LYS 104 N 0.11 0.16 -0.13 4.80 1.57 0.11 -1.60 116.57 121.59 3kp4 h LYS 104 Ca -0.16 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 3kp4 h LYS 104 Cb 1.99 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 3kp4 h LYS 104 CO 0.22 0.39 -0.63 -0.22 -0.57 0.00 0.00 179.45 178.64 3kp4 h LYS 105 N 0.15 0.48 0.47 3.15 3.64 -1.33 -2.19 116.57 120.94 3kp4 h LYS 105 Ca 0.03 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 3kp4 h LYS 105 Cb 0.49 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3kp4 h LYS 105 CO 0.03 0.95 -0.33 -0.92 -2.27 0.00 0.00 179.45 176.91 3kp4 h TYR 106 N 0.35 -0.89 -1.00 1.91 3.20 -1.16 -1.22 116.97 118.16 3kp4 h TYR 106 Ca -0.01 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.09 3kp4 h TYR 106 Cb 1.18 0.33 -0.12 0.00 1.54 0.00 0.00 36.73 39.65 3kp4 h TYR 106 CO 0.04 -0.48 0.59 0.82 -1.64 0.00 0.00 178.16 177.50 3kp4 h ILE 107 N -0.76 0.57 0.34 1.81 1.08 -1.46 0.16 117.51 119.24 3kp4 h ILE 107 Ca -0.06 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3kp4 h ILE 107 Cb 0.63 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 3kp4 h ILE 107 CO 0.04 0.11 -0.49 0.11 -0.69 0.00 0.00 178.15 177.23 3kp4 h LYS 108 N 0.62 -0.84 -0.52 2.37 1.79 -0.98 0.20 116.57 119.19 3kp4 h LYS 108 Ca 0.63 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.16 3kp4 h LYS 108 Cb 1.15 0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.97 3kp4 h LYS 108 CO -0.46 -0.56 0.33 0.93 -1.08 0.00 0.00 179.45 178.61 3kp4 h GLU 109 N -0.87 0.70 0.05 3.15 5.08 0.07 -1.91 114.58 120.86 3kp4 h GLU 109 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kp4 h GLU 109 Cb 0.81 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3kp4 h GLU 109 CO -0.15 0.48 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.22 3kp4 h ARG 110 N 0.72 -0.07 -0.56 2.33 2.43 0.02 -2.61 114.38 116.63 3kp4 h ARG 110 Ca 0.19 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3kp4 h ARG 110 Cb -0.05 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3kp4 h ARG 110 CO -0.04 0.08 0.20 0.87 -1.51 0.00 0.00 179.97 179.58 3kp4 h LYS 111 N -0.20 0.82 -0.98 0.20 1.79 -0.39 -1.70 116.57 116.12 3kp4 h LYS 111 Ca -0.01 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3kp4 h LYS 111 Cb 0.18 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 3kp4 h LYS 111 CO 0.01 0.69 0.64 0.00 -1.08 0.00 0.00 179.45 179.71 3kp4 h ALA 112 N 1.42 1.26 -0.11 3.86 0.00 -1.21 0.34 119.26 124.82 3kp4 h ALA 112 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kp4 h ALA 112 Cb 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kp4 h ALA 112 CO -0.01 0.58 -0.13 0.82 0.00 0.00 0.00 179.25 180.51 3kp4 h ILE 113 N 1.28 1.37 0.00 0.00 2.04 -1.05 -2.61 117.51 118.55 3kp4 h ILE 113 Ca 0.37 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3kp4 h ILE 113 Cb -0.08 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3kp4 h ILE 113 CO -0.10 0.38 -0.21 0.24 0.00 0.00 0.00 178.15 178.46 3kp4 h MET 114 N -0.14 0.00 0.06 2.37 2.86 -0.93 -2.97 114.93 116.19 3kp4 h MET 114 Ca 0.01 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.39 3kp4 h MET 114 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3kp4 h MET 114 CO 0.03 0.21 -1.30 0.77 1.06 0.00 0.00 176.91 177.68 3kp4 h SER 115 N 0.00 0.21 0.68 1.22 0.02 -0.33 -2.65 113.55 112.71 3kp4 h SER 115 Ca -0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3kp4 h SER 115 Cb 0.49 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.96 3kp4 h SER 115 CO 0.03 1.22 -0.33 0.45 -1.14 0.00 0.00 176.83 177.06 3kp4 h HIS 116 N 0.04 -0.84 -0.16 3.45 -0.00 -1.36 -1.38 115.15 114.89 3kp4 h HIS 116 Ca -0.14 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.25 3kp4 h HIS 116 Cb 1.92 0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 29.57 3kp4 h HIS 116 CO 0.03 -0.51 -0.11 0.82 -0.00 0.00 0.00 177.93 178.17 3kp4 h ILE 117 N -1.20 0.67 -0.82 2.45 1.08 -1.68 0.12 117.51 118.13 3kp4 h ILE 117 Ca -0.09 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3kp4 h ILE 117 Cb 0.72 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3kp4 h ILE 117 CO 0.15 0.00 0.35 0.00 -0.69 0.00 0.00 178.15 177.97 3kp4 h ALA 118 N 1.01 1.08 0.54 1.87 0.00 -1.56 -1.27 119.26 120.93 3kp4 h ALA 118 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kp4 h ALA 118 Cb 0.26 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kp4 h ALA 118 CO -0.23 0.67 -0.26 1.03 0.00 0.00 0.00 179.25 180.45 3kp4 h SER 119 N 1.18 -0.62 0.00 0.00 0.87 -0.86 -1.74 113.55 112.38 3kp4 h SER 119 Ca 0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3kp4 h SER 119 Cb 0.18 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3kp4 h SER 119 CO -0.03 -0.40 0.00 0.47 -0.53 0.00 0.00 176.83 176.35 3kp4 n ASP 120 N -4.21 0.00 -0.11 6.23 10.43 -0.01 0.12 116.55 129.01 3kp4 n ASP 120 Ca -0.09 -0.01 0.04 0.00 2.57 0.00 0.00 54.79 57.30 3kp4 n ASP 120 Cb 0.29 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.22 3kp4 n ASP 120 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 3kp4 n MET 121 N -0.94 3.03 0.00 -1.24 1.56 -0.49 -4.59 117.12 114.45 3kp4 n MET 121 Ca 0.00 -0.31 0.00 0.00 -0.27 0.00 0.00 57.70 57.12 3kp4 n MET 121 Cb 0.00 -1.00 0.00 0.00 2.15 0.00 0.00 33.22 34.38 3kp4 n MET 121 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 3kp4 n THR 122 N -0.70 0.00 -0.12 1.12 5.66 0.21 -4.85 114.28 115.60 3kp4 n THR 122 Ca 0.03 0.00 0.25 0.00 -3.05 0.00 0.00 64.05 61.28 3kp4 n THR 122 Cb 0.17 -0.21 0.47 0.00 -1.55 0.00 0.00 70.33 69.21 3kp4 n THR 122 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 3kp4 h SER 123 N 0.00 0.00 -0.26 1.09 4.64 0.72 0.65 113.55 120.39 3kp4 h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kp4 h SER 123 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3kp4 h SER 123 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 3kp4 n ASP 124 N -3.27 2.45 -4.91 4.97 3.85 -1.26 -4.92 116.55 113.45 3kp4 n ASP 124 Ca 0.19 -1.85 -0.27 0.00 -0.71 0.00 0.00 54.79 52.16 3kp4 n ASP 124 Cb 1.33 -0.17 -0.00 0.00 -1.35 0.00 0.00 41.12 40.93 3kp4 n ASP 124 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3kp4 s PHE 125 N -1.66 3.55 -0.20 2.11 0.40 0.22 -5.03 117.98 117.37 3kp4 s PHE 125 Ca 0.35 0.71 -0.26 0.00 -0.60 0.00 0.00 56.93 57.12 3kp4 s PHE 125 Cb 0.19 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 3kp4 s PHE 125 CO 0.28 -0.20 0.90 0.34 0.70 0.00 0.00 175.22 177.24 3kp4 s ASP 126 N -4.09 6.99 0.42 1.36 2.15 -1.26 -4.89 116.67 117.34 3kp4 s ASP 126 Ca 0.46 1.22 0.28 0.00 0.43 0.00 0.00 52.55 54.94 3kp4 s ASP 126 Cb -0.10 -2.48 1.40 0.00 -0.30 0.00 0.00 42.92 41.44 3kp4 s ASP 126 CO 0.43 -0.50 1.61 0.77 -0.17 0.00 0.00 175.17 177.31 3kp4 h SER 127 N 7.43 0.27 -0.28 -0.34 4.64 -1.95 2.31 113.55 125.64 3kp4 h SER 127 Ca -0.25 0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3kp4 h SER 127 Cb 1.11 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3kp4 h SER 127 CO 0.88 -0.24 0.05 0.50 -0.87 0.00 0.00 176.83 177.15 3kp4 h LYS 128 N 0.07 0.55 0.22 4.77 3.64 -1.99 0.37 116.57 124.21 3kp4 h LYS 128 Ca 0.83 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 60.10 3kp4 h LYS 128 Cb 2.50 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.23 3kp4 h LYS 128 CO -0.51 0.53 -0.11 0.93 -2.27 0.00 0.00 179.45 178.03 3kp4 h GLU 129 N 0.53 -0.29 -0.23 1.90 5.08 0.35 -1.99 114.58 119.94 3kp4 h GLU 129 Ca 0.12 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3kp4 h GLU 129 Cb 0.26 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3kp4 h GLU 129 CO 0.00 0.01 0.03 0.82 -1.00 0.00 0.00 179.01 178.87 3kp4 h ILE 130 N -0.58 0.88 -0.73 3.13 1.08 -1.15 -1.47 117.51 118.67 3kp4 h ILE 130 Ca -0.03 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 3kp4 h ILE 130 Cb 0.42 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 3kp4 h ILE 130 CO 0.05 0.02 0.48 -0.33 -0.69 0.00 0.00 178.15 177.68 3kp4 h GLU 131 N 0.12 0.79 -0.40 2.37 5.08 -0.94 -0.62 114.58 120.98 3kp4 h GLU 131 Ca 0.11 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3kp4 h GLU 131 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3kp4 h GLU 131 CO -0.15 0.52 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.93 3kp4 h LYS 132 N 0.81 0.87 0.13 2.33 1.63 -0.86 -1.56 116.57 119.93 3kp4 h LYS 132 Ca 0.30 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3kp4 h LYS 132 Cb 0.16 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 3kp4 h LYS 132 CO -0.09 1.04 -0.18 0.28 -3.45 0.00 0.00 179.45 177.04 3kp4 h VAL 133 N 0.69 0.59 -0.84 2.00 2.07 -0.29 -2.61 116.25 117.86 3kp4 h VAL 133 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3kp4 h VAL 133 Cb 0.80 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3kp4 h VAL 133 CO 0.07 0.00 0.55 -0.09 0.02 0.00 0.00 177.57 178.12 3kp4 h ARG 134 N -0.37 1.08 -0.26 1.57 2.43 -1.10 -2.00 114.38 115.74 3kp4 h ARG 134 Ca 0.02 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3kp4 h ARG 134 Cb 0.37 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3kp4 h ARG 134 CO -0.08 0.72 0.18 1.96 -1.51 0.00 0.00 179.97 181.23 3kp4 h GLN 135 N 1.11 0.16 0.10 0.20 4.20 -1.03 0.73 115.11 120.59 3kp4 h GLN 135 Ca 0.31 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.75 3kp4 h GLN 135 Cb -0.09 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3kp4 h GLN 135 CO -0.08 0.10 -1.23 0.28 -0.67 0.00 0.00 178.83 177.24 3kp4 h VAL 136 N 0.16 1.50 0.00 -0.54 2.07 -1.06 -2.63 116.25 115.76 3kp4 h VAL 136 Ca 0.12 -3.11 -0.05 0.00 0.82 0.00 0.00 66.70 64.48 3kp4 h VAL 136 Cb 0.26 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 3kp4 h VAL 136 CO -0.02 0.90 -0.23 -0.07 0.02 0.00 0.00 177.57 178.18 3kp4 h LEU 137 N 0.06 0.00 -0.10 2.57 3.38 -0.56 -2.59 115.31 118.06 3kp4 h LEU 137 Ca -0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 3kp4 h LEU 137 Cb 1.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.70 3kp4 h LEU 137 CO 0.19 0.23 -0.57 -0.33 0.09 0.00 0.00 178.44 178.04 3kp4 h GLU 138 N 0.00 0.57 -0.20 1.13 5.08 0.45 -1.15 114.58 120.45 3kp4 h GLU 138 Ca -0.00 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 3kp4 h GLU 138 Cb 1.17 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3kp4 h GLU 138 CO 0.03 1.10 -0.24 0.97 -1.00 0.00 0.00 179.01 179.87 3kp4 h ILE 139 N 0.19 1.25 -0.21 3.13 2.10 -1.43 0.19 117.51 122.73 3kp4 h ILE 139 Ca -0.04 -1.17 -0.12 0.00 1.08 0.00 0.00 64.86 64.61 3kp4 h ILE 139 Cb 1.22 1.36 -0.00 0.00 -1.09 0.00 0.00 36.82 38.31 3kp4 h ILE 139 CO 0.12 0.37 -0.32 0.40 -1.08 0.00 0.00 178.15 177.63 3kp4 h ILE 140 N 0.34 1.33 -0.59 2.19 2.04 -1.47 -1.10 117.51 120.25 3kp4 h ILE 140 Ca 0.05 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.40 3kp4 h ILE 140 Cb 0.60 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3kp4 h ILE 140 CO 0.04 0.47 0.36 -0.78 0.00 0.00 0.00 178.15 178.25 3kp4 h ASP 141 N 0.28 0.60 -0.33 1.72 -0.00 -0.85 0.37 116.42 118.21 3kp4 h ASP 141 Ca 0.02 -0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.10 3kp4 h ASP 141 Cb 0.91 -0.13 -0.04 0.00 -0.00 0.00 0.00 39.33 40.07 3kp4 h ASP 141 CO 0.07 0.42 0.08 0.22 -0.00 0.00 0.00 179.24 180.03 3kp4 h TYR 142 N 0.72 0.14 -0.08 0.28 3.20 -0.50 -0.12 116.97 120.61 3kp4 h TYR 142 Ca 0.23 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 3kp4 h TYR 142 Cb 0.00 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3kp4 h TYR 142 CO -0.05 0.04 -0.51 0.00 -1.64 0.00 0.00 178.16 175.99 3kp4 h ARG 143 N 0.20 0.22 0.91 1.82 3.08 -0.58 -2.91 114.38 117.11 3kp4 h ARG 143 Ca 0.16 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3kp4 h ARG 143 Cb 0.16 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.23 3kp4 h ARG 143 CO -0.19 0.68 -0.44 0.82 -1.07 0.00 0.00 179.97 179.77 3kp4 h ILE 144 N 0.17 0.00 -0.67 2.04 2.04 0.41 -2.25 117.51 119.26 3kp4 h ILE 144 Ca 0.00 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.89 3kp4 h ILE 144 Cb 0.97 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.93 3kp4 h ILE 144 CO 0.08 0.00 -0.41 1.56 0.00 0.00 0.00 178.15 179.38 3kp4 h GLN 145 N -1.30 -0.16 -0.56 2.37 4.20 -1.03 0.16 115.11 118.80 3kp4 h GLN 145 Ca -0.12 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.65 3kp4 h GLN 145 Cb 0.94 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3kp4 h GLN 145 CO 0.20 -0.10 0.37 0.66 -0.67 0.00 0.00 178.83 179.29 3kp4 h SER 146 N -0.16 0.48 -0.25 1.46 4.64 -1.53 -1.24 113.55 116.94 3kp4 h SER 146 Ca 0.22 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 3kp4 h SER 146 Cb 0.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3kp4 h SER 146 CO -0.75 0.32 -0.04 0.22 -0.87 0.00 0.00 176.83 175.71 3kp4 h TYR 147 N 0.55 0.52 -0.67 4.77 5.03 -0.12 -2.93 116.97 124.12 3kp4 h TYR 147 Ca 0.24 -0.11 0.11 0.00 2.58 0.00 0.00 58.73 61.55 3kp4 h TYR 147 Cb 0.24 -0.13 -0.08 0.00 1.55 0.00 0.00 36.73 38.31 3kp4 h TYR 147 CO -0.00 0.67 0.25 1.15 -1.32 0.00 0.00 178.16 178.91 3kp4 h THR 148 N 0.22 0.72 -0.99 1.81 2.02 -0.02 -0.53 112.91 116.14 3kp4 h THR 148 Ca 0.07 -0.14 0.16 0.00 0.77 0.00 0.00 66.41 67.27 3kp4 h THR 148 Cb 0.49 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 67.07 3kp4 h THR 148 CO 0.02 0.08 0.60 0.77 0.37 0.00 0.00 175.52 177.36 3kp4 h SER 149 N 0.42 0.81 0.19 4.18 4.64 -1.09 1.17 113.55 123.87 3kp4 h SER 149 Ca 0.35 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3kp4 h SER 149 Cb 0.47 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kp4 h SER 149 CO -0.35 0.34 0.00 1.17 -0.87 0.00 0.00 176.83 177.12 3kp4 n LYS 150 N -4.73 0.74 -0.80 4.77 4.81 -0.25 -5.13 118.16 117.58 3kp4 n LYS 150 Ca 0.21 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3kp4 n LYS 150 Cb 0.49 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.04 3kp4 n LYS 150 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85