#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp4 n GLU 6 N 0.00 4.03 -0.06 6.28 1.02 -1.26 -4.70 120.64 125.96 3kp4 n GLU 6 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3kp4 n GLU 6 Cb 0.00 -0.34 0.25 0.00 -0.02 0.00 0.00 31.44 31.33 3kp4 n GLU 6 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kp4 n ASP 7 N 0.00 2.64 0.07 1.62 5.68 -1.26 -2.10 116.55 123.20 3kp4 n ASP 7 Ca 0.00 -1.86 -0.21 0.00 -0.50 0.00 0.00 54.79 52.22 3kp4 n ASP 7 Cb 0.00 -0.08 -0.13 0.00 -1.14 0.00 0.00 41.12 39.77 3kp4 n ASP 7 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3kp4 h HIS 8 N 3.85 0.84 -0.01 2.11 3.86 -1.98 0.19 115.15 124.02 3kp4 h HIS 8 Ca 0.00 -0.54 -0.00 0.00 -1.16 0.00 0.00 60.37 58.67 3kp4 h HIS 8 Cb 0.83 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 3kp4 h HIS 8 CO 0.08 1.39 0.01 0.82 0.86 0.00 0.00 177.93 181.09 3kp4 h ILE 9 N 0.06 1.04 0.12 2.45 1.08 -1.84 0.66 117.51 121.07 3kp4 h ILE 9 Ca -0.17 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3kp4 h ILE 9 Cb 1.78 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 36.61 3kp4 h ILE 9 CO 0.20 0.03 -0.08 0.28 -0.69 0.00 0.00 178.15 177.89 3kp4 h SER 10 N -0.03 -0.19 -0.25 1.72 0.02 -1.43 -0.78 113.55 112.62 3kp4 h SER 10 Ca 0.00 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3kp4 h SER 10 Cb 0.04 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3kp4 h SER 10 CO -0.00 -0.13 -0.14 0.15 -1.14 0.00 0.00 176.83 175.57 3kp4 h PHE 11 N -0.19 -0.36 -0.79 3.45 3.57 -0.27 0.24 116.94 122.60 3kp4 h PHE 11 Ca -0.01 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.65 3kp4 h PHE 11 Cb 0.17 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 3kp4 h PHE 11 CO -0.09 -0.21 0.39 1.25 -2.23 0.00 0.00 178.31 177.42 3kp4 h LEU 12 N -0.12 0.47 -0.26 0.59 5.85 0.56 0.84 115.31 123.24 3kp4 h LEU 12 Ca 0.14 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3kp4 h LEU 12 Cb 0.33 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3kp4 h LEU 12 CO -0.33 0.22 0.09 -0.33 -0.34 0.00 0.00 178.44 177.76 3kp4 h GLU 13 N 0.60 0.40 -0.37 1.25 5.08 0.52 -0.26 114.58 121.80 3kp4 h GLU 13 Ca 0.41 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3kp4 h GLU 13 Cb 0.54 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3kp4 h GLU 13 CO -0.33 0.46 0.01 -0.22 -1.00 0.00 0.00 179.01 177.92 3kp4 h LYS 14 N 0.27 0.58 -0.46 2.33 3.64 0.79 -0.06 116.57 123.65 3kp4 h LYS 14 Ca 0.09 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3kp4 h LYS 14 Cb 0.21 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3kp4 h LYS 14 CO -0.00 0.59 -0.07 0.35 -2.27 0.00 0.00 179.45 178.05 3kp4 h PHE 15 N 0.55 0.95 -0.17 1.91 3.57 0.10 -1.12 116.94 122.74 3kp4 h PHE 15 Ca 0.12 -0.19 -0.14 0.00 3.53 0.00 0.00 57.97 61.29 3kp4 h PHE 15 Cb 0.34 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kp4 h PHE 15 CO 0.01 0.93 -0.50 0.82 -2.23 0.00 0.00 178.31 177.35 3kp4 h ILE 16 N 0.70 1.32 -0.39 1.41 2.04 -0.68 -1.84 117.51 120.08 3kp4 h ILE 16 Ca 0.12 -1.72 -0.10 0.00 1.00 0.00 0.00 64.86 64.16 3kp4 h ILE 16 Cb 0.60 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3kp4 h ILE 16 CO 0.04 0.53 -0.16 0.78 0.00 0.00 0.00 178.15 179.33 3kp4 h ASN 17 N 0.37 0.72 -0.06 1.72 2.35 -0.89 -2.20 115.58 117.59 3kp4 h ASN 17 Ca 0.02 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3kp4 h ASN 17 Cb 1.00 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 3kp4 h ASN 17 CO 0.09 0.89 -0.02 0.44 -1.65 0.00 0.00 177.43 177.19 3kp4 h ASP 18 N 0.65 0.11 -0.80 5.81 3.32 -0.96 -2.68 116.42 121.87 3kp4 h ASP 18 Ca 0.10 -0.39 0.07 0.00 0.02 0.00 0.00 57.03 56.84 3kp4 h ASP 18 Cb 0.64 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 3kp4 h ASP 18 CO 0.04 0.47 0.52 0.58 -1.72 0.00 0.00 179.24 179.14 3kp4 h VAL 19 N -0.25 1.02 -0.39 -1.35 2.07 -1.26 -0.34 116.25 115.75 3kp4 h VAL 19 Ca 0.01 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3kp4 h VAL 19 Cb 0.42 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3kp4 h VAL 19 CO 0.01 0.15 0.04 0.78 0.02 0.00 0.00 177.57 178.57 3kp4 h ASN 20 N 0.84 0.64 -0.45 0.57 -0.26 -1.36 -1.12 115.58 114.45 3kp4 h ASN 20 Ca 0.35 -0.28 -0.06 0.00 -0.56 0.00 0.00 56.30 55.75 3kp4 h ASN 20 Cb 0.29 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 3kp4 h ASN 20 CO -0.13 0.76 0.07 0.74 -1.06 0.00 0.00 177.43 177.81 3kp4 h THR 21 N 0.50 1.24 -0.36 2.81 2.02 -0.94 0.69 112.91 118.87 3kp4 h THR 21 Ca 0.12 -0.92 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 3kp4 h THR 21 Cb 0.41 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3kp4 h THR 21 CO 0.01 0.33 -0.32 0.25 0.37 0.00 0.00 175.52 176.16 3kp4 h LEU 22 N 0.78 0.91 -0.25 2.58 5.85 -0.95 -2.96 115.31 121.28 3kp4 h LEU 22 Ca 0.16 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3kp4 h LEU 22 Cb 0.38 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kp4 h LEU 22 CO 0.01 1.18 -0.01 0.74 -0.34 0.00 0.00 178.44 180.02 3kp4 h THR 23 N 0.66 1.26 -0.04 1.05 2.02 -0.85 -1.42 112.91 115.59 3kp4 h THR 23 Ca 0.06 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.33 3kp4 h THR 23 Cb 0.91 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 3kp4 h THR 23 CO 0.08 0.30 -0.42 0.00 0.37 0.00 0.00 175.52 175.85 3kp4 h ALA 24 N 0.80 -0.64 -0.09 6.16 0.00 -0.90 -0.05 119.26 124.53 3kp4 h ALA 24 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kp4 h ALA 24 Cb 0.44 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3kp4 h ALA 24 CO 0.02 -0.95 -0.04 0.87 0.00 0.00 0.00 179.25 179.15 3kp4 h LYS 25 N -0.55 -0.02 -0.07 0.00 1.57 -1.49 0.54 116.57 116.56 3kp4 h LYS 25 Ca 0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3kp4 h LYS 25 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3kp4 h LYS 25 CO -0.34 -0.01 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.36 3kp4 h LEU 26 N -0.02 0.09 -2.57 2.94 3.38 -1.09 -2.32 115.31 115.73 3kp4 h LEU 26 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kp4 h LEU 26 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kp4 h LEU 26 CO -0.11 0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.81 3kp4 n LEU 27 N -4.37 3.72 0.06 1.67 4.77 -0.05 -4.61 117.00 118.19 3kp4 n LEU 27 Ca -0.02 -1.78 -0.15 0.00 -0.03 0.00 0.00 56.01 54.03 3kp4 n LEU 27 Cb 0.20 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 3kp4 n LEU 27 CO 0.36 0.88 0.53 0.50 -1.33 0.00 0.00 177.39 178.33 3kp4 h LYS 28 N 4.30 -0.63 0.00 3.23 1.63 -0.30 -2.34 116.57 122.46 3kp4 h LYS 28 Ca 0.00 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3kp4 h LYS 28 Cb 0.98 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 3kp4 h LYS 28 CO 0.00 -0.42 -0.00 -0.44 -3.45 0.00 0.00 179.45 175.14 3kp4 h ASP 29 N -0.65 -0.00 -0.60 4.20 3.32 -1.81 -2.70 116.42 118.17 3kp4 h ASP 29 Ca 0.02 -0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.15 3kp4 h ASP 29 Cb 0.71 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.17 3kp4 h ASP 29 CO -0.35 0.04 0.08 0.25 -1.72 0.00 0.00 179.24 177.54 3kp4 h LEU 30 N -0.04 -0.10 -1.57 1.55 5.85 -1.84 0.14 115.31 119.30 3kp4 h LEU 30 Ca -0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3kp4 h LEU 30 Cb 0.04 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3kp4 h LEU 30 CO 0.00 -0.04 0.11 1.56 -0.34 0.00 0.00 178.44 179.74 3kp4 h GLN 31 N 0.20 0.39 -0.16 1.25 4.20 -1.32 -1.68 115.11 117.99 3kp4 h GLN 31 Ca 0.31 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.88 3kp4 h GLN 31 Cb 0.48 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kp4 h GLN 31 CO -0.44 0.33 -0.28 1.15 -0.67 0.00 0.00 178.83 178.92 3kp4 h THR 32 N 0.40 1.35 -0.07 -0.54 2.02 -0.52 -1.51 112.91 114.04 3kp4 h THR 32 Ca 0.10 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.78 3kp4 h THR 32 Cb 0.09 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3kp4 h THR 32 CO -0.01 0.46 0.07 -0.08 0.37 0.00 0.00 175.52 176.33 3kp4 h GLU 33 N 0.11 0.00 0.00 6.66 4.81 -0.28 -1.79 114.58 124.09 3kp4 h GLU 33 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kp4 h GLU 33 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3kp4 h GLU 33 CO 0.06 0.00 -1.07 0.66 -0.73 0.00 0.00 179.01 177.93 3kp4 n TYR 34 N -3.93 0.07 -0.95 0.92 4.02 -0.69 -4.96 117.16 111.64 3kp4 n TYR 34 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3kp4 n TYR 34 Cb 0.17 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 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 1.44 0.66 3.81 2.72 0.00 -0.65 -5.00 105.19 108.17 3kp4 n GLY 35 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3kp4 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kp4 s ILE 36 N -2.81 4.47 0.72 -0.61 2.07 -0.74 -5.01 121.20 119.29 3kp4 s ILE 36 Ca 0.00 1.42 -0.02 0.00 -1.41 0.00 0.00 60.65 60.64 3kp4 s ILE 36 Cb 0.00 -3.88 0.12 0.00 0.13 0.00 0.00 42.46 38.83 3kp4 s ILE 36 CO 0.00 0.15 0.99 -0.94 -1.91 0.00 0.00 174.94 173.24 3kp4 s SER 37 N -1.69 4.40 0.08 4.50 1.04 -1.26 -4.39 113.70 116.38 3kp4 s SER 37 Ca 0.46 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.51 3kp4 s SER 37 Cb -0.17 -0.21 -0.12 0.00 0.10 0.00 0.00 66.02 65.62 3kp4 s SER 37 CO 0.21 -1.82 1.36 0.00 0.98 0.00 0.00 173.24 173.97 3kp4 h ALA 38 N -0.54 0.34 -0.28 5.32 0.00 -1.98 -0.95 119.26 121.17 3kp4 h ALA 38 Ca -0.38 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.15 3kp4 h ALA 38 Cb 1.27 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3kp4 h ALA 38 CO 0.43 0.42 -0.39 1.05 0.00 0.00 0.00 179.25 180.75 3kp4 h GLU 39 N 0.34 -0.36 -0.78 0.00 4.11 -2.01 -2.00 114.58 113.88 3kp4 h GLU 39 Ca 0.02 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 3kp4 h GLU 39 Cb 0.95 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3kp4 h GLU 39 CO 0.08 -0.24 0.44 1.96 0.07 0.00 0.00 179.01 181.32 3kp4 h GLN 40 N -0.38 1.07 -0.62 1.06 4.20 -1.92 -2.95 115.11 115.58 3kp4 h GLN 40 Ca 0.12 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 58.83 3kp4 h GLN 40 Cb 0.59 -0.22 -0.09 0.00 0.30 0.00 0.00 27.48 28.06 3kp4 h GLN 40 CO -0.48 0.78 0.12 1.03 -0.67 0.00 0.00 178.83 179.62 3kp4 h SER 41 N 1.07 -0.02 -0.58 1.46 0.87 -0.46 -0.17 113.55 115.73 3kp4 h SER 41 Ca 0.28 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3kp4 h SER 41 Cb 0.00 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3kp4 h SER 41 CO -0.05 -0.01 0.33 -0.74 -0.53 0.00 0.00 176.83 175.83 3kp4 h HIS 42 N 0.25 0.82 -0.78 2.24 -0.00 -1.25 -0.47 115.15 115.97 3kp4 h HIS 42 Ca 0.33 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 3kp4 h HIS 42 Cb 0.50 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 3kp4 h HIS 42 CO -0.26 0.58 0.31 0.28 -0.00 0.00 0.00 177.93 178.84 3kp4 h VAL 43 N 0.84 1.26 -0.43 5.26 2.07 -1.07 0.42 116.25 124.60 3kp4 h VAL 43 Ca 0.22 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 3kp4 h VAL 43 Cb 0.03 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3kp4 h VAL 43 CO -0.03 0.33 -0.04 -0.07 0.02 0.00 0.00 177.57 177.78 3kp4 h LEU 44 N 1.13 0.69 -0.28 2.57 3.38 -0.09 -1.05 115.31 121.66 3kp4 h LEU 44 Ca 0.26 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3kp4 h LEU 44 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kp4 h LEU 44 CO -0.02 0.78 -0.67 -1.13 0.09 0.00 0.00 178.44 177.49 3kp4 h ASN 45 N 0.66 0.00 0.16 -0.43 -1.24 -0.86 -2.44 115.58 111.43 3kp4 h ASN 45 Ca 0.13 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.99 3kp4 h ASN 45 Cb 0.47 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3kp4 h ASN 45 CO 0.02 0.67 -0.53 -0.03 -1.29 0.00 0.00 177.43 176.28 3kp4 h MET 46 N 0.00 0.40 0.00 6.67 4.05 -0.54 -2.90 114.93 122.60 3kp4 h MET 46 Ca -0.01 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3kp4 h MET 46 Cb 1.39 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 3kp4 h MET 46 CO 0.09 0.83 -0.35 1.28 0.23 0.00 0.00 176.91 178.99 3kp4 n LEU 47 N -3.95 0.38 0.09 3.39 4.77 -0.43 -2.79 117.00 118.46 3kp4 n LEU 47 Ca -0.02 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3kp4 n LEU 47 Cb 0.58 -0.32 0.29 0.00 -2.33 0.00 0.00 43.42 41.64 3kp4 n LEU 47 CO 0.45 0.06 0.77 -1.28 -1.33 0.00 0.00 177.39 176.06 3kp4 h SER 48 N 0.00 0.27 0.06 -1.43 0.87 -1.22 -3.17 113.55 108.93 3kp4 h SER 48 Ca 0.00 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.36 3kp4 h SER 48 Cb 0.53 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3kp4 h SER 48 CO 0.00 0.54 -0.57 0.40 -0.53 0.00 0.00 176.83 176.66 3kp4 h ILE 49 N 0.25 1.52 -4.35 2.23 2.04 -1.62 -3.49 117.51 114.08 3kp4 h ILE 49 Ca 0.04 -2.40 -0.24 0.00 1.00 0.00 0.00 64.86 63.26 3kp4 h ILE 49 Cb 0.60 3.12 -0.15 0.00 -0.74 0.00 0.00 36.82 39.65 3kp4 h ILE 49 CO 0.04 0.62 -0.63 -1.61 0.00 0.00 0.00 178.15 176.57 3kp4 s GLU 50 N -2.33 1.12 -0.40 2.37 2.02 -1.12 -5.11 118.70 115.25 3kp4 s GLU 50 Ca -0.18 -1.57 -0.12 0.00 0.02 0.00 0.00 54.97 53.11 3kp4 s GLU 50 Cb 0.00 0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.41 3kp4 s GLU 50 CO 0.73 -0.31 0.25 0.00 0.02 0.00 0.00 175.26 175.96 3kp4 s ALA 51 N -4.02 3.36 0.25 5.21 0.00 -1.26 -4.10 121.76 121.19 3kp4 s ALA 51 Ca 0.32 -1.79 0.11 0.00 0.00 0.00 0.00 51.96 50.59 3kp4 s ALA 51 Cb 0.07 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 3kp4 s ALA 51 CO 0.08 -1.47 -0.12 -0.51 0.00 0.00 0.00 175.76 173.74 3kp4 s LEU 52 N 1.58 2.83 0.40 0.00 1.43 -1.09 -4.75 118.68 119.09 3kp4 s LEU 52 Ca 0.03 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.24 3kp4 s LEU 52 Cb -0.20 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 3kp4 s LEU 52 CO 0.07 0.05 0.72 -0.89 0.23 0.00 0.00 176.35 176.53 3kp4 s THR 53 N -2.22 4.87 0.54 5.49 2.01 -1.26 -0.23 115.64 124.84 3kp4 s THR 53 Ca 0.28 0.37 0.22 0.00 0.31 0.00 0.00 61.69 62.88 3kp4 s THR 53 Cb -0.06 -3.77 0.34 0.00 0.01 0.00 0.00 72.50 69.02 3kp4 s THR 53 CO 0.16 -0.56 2.09 0.58 -0.69 0.00 0.00 174.62 176.20 3kp4 h VAL 54 N 0.94 0.78 0.02 3.82 2.07 -1.97 -0.64 116.25 121.26 3kp4 h VAL 54 Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kp4 h VAL 54 Cb 1.19 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3kp4 h VAL 54 CO 0.64 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 179.45 3kp4 h GLY 55 N 0.00 -0.02 0.02 2.17 0.00 -1.97 -0.75 103.07 102.51 3kp4 h GLY 55 Ca 0.11 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.55 3kp4 h GLY 55 CO -0.00 -0.01 -0.09 1.46 0.00 0.00 0.00 176.54 177.90 3kp4 h GLN 56 N -0.55 0.03 -0.98 4.80 4.20 -1.55 0.13 115.11 121.20 3kp4 h GLN 56 Ca -0.00 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3kp4 h GLN 56 Cb 0.52 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3kp4 h GLN 56 CO 0.00 0.02 0.65 0.82 -0.67 0.00 0.00 178.83 179.65 3kp4 h ILE 57 N 0.03 1.25 -0.51 2.54 2.04 -1.16 -0.44 117.51 121.26 3kp4 h ILE 57 Ca 0.25 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 3kp4 h ILE 57 Cb 0.39 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3kp4 h ILE 57 CO -0.50 0.24 -0.02 0.74 0.00 0.00 0.00 178.15 178.61 3kp4 h THR 58 N 1.33 1.25 0.13 -0.27 2.02 0.72 -3.00 112.91 115.09 3kp4 h THR 58 Ca 0.36 -1.09 -0.29 0.00 0.77 0.00 0.00 66.41 66.16 3kp4 h THR 58 Cb -0.15 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3kp4 h THR 58 CO -0.08 0.39 -1.33 -0.08 0.37 0.00 0.00 175.52 174.78 3kp4 h GLU 59 N 0.81 0.27 0.00 6.66 4.81 -0.64 -0.28 114.58 126.21 3kp4 h GLU 59 Ca 0.15 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3kp4 h GLU 59 Cb 0.52 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3kp4 h GLU 59 CO 0.03 1.19 0.00 1.17 -0.73 0.00 0.00 179.01 180.67 3kp4 n LYS 60 N -3.51 0.61 0.00 1.92 4.81 -0.20 -3.28 118.16 118.51 3kp4 n LYS 60 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 3kp4 n LYS 60 Cb 1.03 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.89 3kp4 n LYS 60 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3kp4 n GLN 61 N -0.70 3.94 -0.74 1.64 7.27 -1.14 -5.04 117.38 122.61 3kp4 n GLN 61 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 3kp4 n GLN 61 Cb 0.03 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.30 3kp4 n GLN 61 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kp4 n GLY 62 N 0.15 0.48 3.93 1.69 0.00 -0.12 -5.00 105.19 106.31 3kp4 n GLY 62 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3kp4 n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kp4 s VAL 63 N -2.44 2.27 0.21 1.61 -7.23 -1.24 -5.01 120.40 108.57 3kp4 s VAL 63 Ca 0.00 -0.26 -0.32 0.00 -1.81 0.00 0.00 61.98 59.59 3kp4 s VAL 63 Cb 0.00 -3.00 -0.12 0.00 0.56 0.00 0.00 36.38 33.82 3kp4 s VAL 63 CO 0.00 -0.00 1.72 0.21 -0.31 0.00 0.00 175.10 176.71 3kp4 s ASN 64 N -4.52 6.39 0.24 4.85 3.04 -1.26 -4.86 114.94 118.81 3kp4 s ASN 64 Ca 0.60 2.86 -0.05 0.00 0.04 0.00 0.00 52.86 56.31 3kp4 s ASN 64 Cb -0.11 -2.60 0.46 0.00 -1.54 0.00 0.00 41.25 37.46 3kp4 s ASN 64 CO 0.45 -0.97 1.70 0.50 -3.04 0.00 0.00 177.10 175.74 3kp4 h LYS 65 N 6.77 0.31 -0.66 0.43 3.11 -1.95 -1.42 116.57 123.16 3kp4 h LYS 65 Ca -0.43 -0.02 0.13 0.00 -2.81 0.00 0.00 60.65 57.52 3kp4 h LYS 65 Cb 1.20 -0.07 -0.10 0.00 -1.00 0.00 0.00 32.23 32.26 3kp4 h LYS 65 CO 0.95 0.21 0.14 0.00 -2.81 0.00 0.00 179.45 177.94 3kp4 h ALA 66 N 1.58 0.80 -0.81 5.00 0.00 -1.99 0.01 119.26 123.86 3kp4 h ALA 66 Ca 0.41 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.49 3kp4 h ALA 66 Cb 0.68 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3kp4 h ALA 66 CO -0.47 -0.32 0.53 0.00 0.00 0.00 0.00 179.25 178.99 3kp4 h ALA 67 N 1.54 1.03 -0.06 0.00 0.00 -1.64 -0.28 119.26 119.85 3kp4 h ALA 67 Ca 0.36 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3kp4 h ALA 67 Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kp4 h ALA 67 CO -0.46 0.41 -0.53 0.28 0.00 0.00 0.00 179.25 178.94 3kp4 h VAL 68 N 1.07 1.37 0.03 0.00 2.07 -1.15 -2.61 116.25 117.03 3kp4 h VAL 68 Ca 0.30 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3kp4 h VAL 68 Cb -0.09 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3kp4 h VAL 68 CO -0.08 0.54 -0.02 0.28 0.02 0.00 0.00 177.57 178.31 3kp4 h SER 69 N 0.14 -0.04 -0.83 0.57 0.02 -0.37 -1.92 113.55 111.12 3kp4 h SER 69 Ca 0.00 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3kp4 h SER 69 Cb 0.99 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.48 3kp4 h SER 69 CO 0.08 0.20 0.51 -0.09 -1.14 0.00 0.00 176.83 176.39 3kp4 h ARG 70 N -0.27 0.92 0.00 3.45 2.43 -1.02 -2.07 114.38 117.81 3kp4 h ARG 70 Ca -0.00 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.93 3kp4 h ARG 70 Cb 0.25 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3kp4 h ARG 70 CO 0.01 0.61 -0.83 0.00 -1.51 0.00 0.00 179.97 178.24 3kp4 h ARG 71 N 0.95 0.02 -0.03 0.20 3.08 -1.43 -2.83 114.38 114.33 3kp4 h ARG 71 Ca 0.35 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 60.14 3kp4 h ARG 71 Cb 0.14 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3kp4 h ARG 71 CO -0.16 0.84 -0.93 0.28 -1.07 0.00 0.00 179.97 178.93 3kp4 h VAL 72 N 0.01 1.33 0.00 2.04 2.07 -1.13 -2.06 116.25 118.51 3kp4 h VAL 72 Ca -0.01 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 3kp4 h VAL 72 Cb 1.47 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3kp4 h VAL 72 CO 0.11 0.69 -0.09 0.11 0.02 0.00 0.00 177.57 178.41 3kp4 h LYS 73 N 0.35 0.00 0.05 1.57 1.57 -1.43 -0.85 116.57 117.82 3kp4 h LYS 73 Ca -0.09 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.45 3kp4 h LYS 73 Cb 1.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 3kp4 h LYS 73 CO 0.17 0.09 -1.15 0.87 -0.57 0.00 0.00 179.45 178.86 3kp4 h LYS 74 N 0.00 0.11 0.00 3.15 1.57 -1.37 -2.18 116.57 117.84 3kp4 h LYS 74 Ca -0.00 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 3kp4 h LYS 74 Cb 0.62 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3kp4 h LYS 74 CO 0.01 1.06 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.31 3kp4 h LEU 75 N 0.03 0.00 -0.02 2.94 3.38 -0.76 -1.55 115.31 119.33 3kp4 h LEU 75 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3kp4 h LEU 75 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 3kp4 h LEU 75 CO 0.15 0.57 -0.17 -0.07 0.09 0.00 0.00 178.44 179.02 3kp4 h LEU 76 N 0.00 0.18 -2.59 1.67 3.38 -1.18 0.12 115.31 116.89 3kp4 h LEU 76 Ca -0.01 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3kp4 h LEU 76 Cb 1.23 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kp4 h LEU 76 CO 0.07 0.86 0.02 -1.13 0.09 0.00 0.00 178.44 178.35 3kp4 h ASN 77 N -0.49 0.00 -0.01 -0.43 -0.73 -1.36 0.56 115.58 113.12 3kp4 h ASN 77 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 3kp4 h ASN 77 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.46 3kp4 h ASN 77 CO 0.03 0.00 -0.01 0.00 -0.37 0.00 0.00 177.43 177.08 3kp4 n ALA 78 N -2.25 2.56 -2.42 1.57 0.00 -0.59 -4.93 120.51 114.45 3kp4 n ALA 78 Ca -0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 3kp4 n ALA 78 Cb 0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 0.55 -2.03 0.00 0.00 1.02 0.20 -4.80 120.64 115.58 3kp4 n GLU 79 Ca 0.17 0.75 0.11 0.00 -0.02 0.00 0.00 57.16 58.17 3kp4 n GLU 79 Cb 0.44 -5.37 0.05 0.00 -0.02 0.00 0.00 31.44 26.54 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 -2.88 0.74 -4.06 -4.62 4.77 0.33 -4.34 117.00 106.94 3kp4 n LEU 80 Ca -0.18 -0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 55.46 3kp4 n LEU 80 Cb 0.64 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3kp4 n LEU 80 CO 0.21 0.17 -0.06 0.54 -1.33 0.00 0.00 177.39 176.93 3kp4 s VAL 81 N -3.02 0.03 0.37 4.08 0.11 -1.02 -2.75 120.40 118.20 3kp4 s VAL 81 Ca 0.09 -1.62 -0.07 0.00 -2.93 0.00 0.00 61.98 57.45 3kp4 s VAL 81 Cb 0.16 -2.15 0.03 0.00 -1.53 0.00 0.00 36.38 32.90 3kp4 s VAL 81 CO 0.79 -0.15 0.61 2.29 -3.33 0.00 0.00 175.10 175.31 3kp4 n LYS 82 N -0.26 0.87 -3.09 1.54 2.85 0.29 -4.49 118.16 115.87 3kp4 n LYS 82 Ca -0.03 -2.57 -0.19 0.00 -1.05 0.00 0.00 58.31 54.47 3kp4 n LYS 82 Cb 0.64 2.72 0.01 0.00 -0.65 0.00 0.00 35.03 37.75 3kp4 n LYS 82 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kp4 s LEU 83 N 0.00 3.69 0.00 -5.58 1.43 -1.26 -1.04 118.68 115.92 3kp4 s LEU 83 Ca 0.24 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3kp4 s LEU 83 Cb -0.03 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3kp4 s LEU 83 CO 0.17 -0.71 0.52 1.21 0.23 0.00 0.00 176.35 177.77 3kp4 n GLU 84 N -1.90 0.00 0.00 1.70 2.13 -1.26 -4.82 120.64 116.49 3kp4 n GLU 84 Ca 0.04 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.38 3kp4 n GLU 84 Cb 0.59 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 31.40 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 -1.59 0.00 -1.61 5.31 5.02 -1.26 -5.15 118.16 118.88 3kp4 n LYS 95 Ca 0.00 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.79 3kp4 n LYS 95 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3kp4 n LYS 95 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3kp4 n ILE 96 N 0.00 0.24 -3.89 -0.18 5.41 -1.26 -4.45 119.36 115.23 3kp4 n ILE 96 Ca 0.00 -0.06 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 3kp4 n ILE 96 Cb 0.00 -1.00 -0.13 0.00 -0.71 0.00 0.00 39.64 37.79 3kp4 n ILE 96 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kp4 s ILE 97 N 0.39 2.83 0.36 1.39 -1.09 0.68 -4.19 121.20 121.58 3kp4 s ILE 97 Ca 0.80 -2.17 0.08 0.00 -2.23 0.00 0.00 60.65 57.14 3kp4 s ILE 97 Cb -0.86 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 3kp4 s ILE 97 CO 0.46 -0.63 0.06 -1.59 -1.23 0.00 0.00 174.94 172.01 3kp4 s LYS 98 N 1.04 2.13 0.31 2.79 -2.85 -0.20 -2.65 119.74 120.30 3kp4 s LYS 98 Ca 0.09 -1.79 -0.29 0.00 -1.00 0.00 0.00 55.97 52.99 3kp4 s LYS 98 Cb -0.21 -1.94 -0.10 0.00 -2.06 0.00 0.00 37.83 33.53 3kp4 s LYS 98 CO -0.06 0.06 1.16 -0.51 0.10 0.00 0.00 175.35 176.10 3kp4 s LEU 99 N -3.77 4.47 0.63 2.77 1.43 -1.26 0.10 118.68 123.05 3kp4 s LEU 99 Ca 0.37 2.38 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 3kp4 s LEU 99 Cb 0.02 -3.69 0.09 0.00 0.03 0.00 0.00 46.19 42.64 3kp4 s LEU 99 CO 0.20 -0.31 0.88 -0.94 0.23 0.00 0.00 176.35 176.41 3kp4 s SER 100 N -0.82 4.79 0.34 2.29 1.04 -1.11 -4.68 113.70 115.55 3kp4 s SER 100 Ca 0.47 -0.41 0.14 0.00 0.48 0.00 0.00 55.95 56.63 3kp4 s SER 100 Cb -0.34 -0.16 0.61 0.00 0.10 0.00 0.00 66.02 66.23 3kp4 s SER 100 CO 0.44 -1.53 1.74 0.78 0.98 0.00 0.00 173.24 175.65 3kp4 h ASN 101 N -0.17 0.00 0.52 7.02 2.35 -1.88 -0.22 115.58 123.19 3kp4 h ASN 101 Ca -0.36 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.24 3kp4 h ASN 101 Cb 1.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 3kp4 h ASN 101 CO 0.43 0.45 -0.66 0.11 -1.65 0.00 0.00 177.43 176.11 3kp4 h LYS 102 N 0.00 0.13 -0.15 0.81 1.57 -1.89 -2.10 116.57 114.95 3kp4 h LYS 102 Ca -0.00 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.49 3kp4 h LYS 102 Cb 0.86 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3kp4 h LYS 102 CO 0.06 0.75 -0.65 0.78 -0.57 0.00 0.00 179.45 179.82 3kp4 h GLY 103 N 1.73 0.61 1.38 3.86 0.00 -1.55 -3.06 103.07 106.04 3kp4 h GLY 103 Ca -0.01 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 3kp4 h GLY 103 CO 0.10 0.70 0.04 0.50 0.00 0.00 0.00 176.54 177.88 3kp4 h LYS 104 N 0.41 0.77 0.00 4.80 1.57 -0.80 -2.19 116.57 121.13 3kp4 h LYS 104 Ca -0.01 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3kp4 h LYS 104 Cb 1.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3kp4 h LYS 104 CO 0.12 0.75 -0.36 0.87 -0.57 0.00 0.00 179.45 180.26 3kp4 h LYS 105 N 0.73 0.00 -0.12 3.15 1.57 -1.31 -0.48 116.57 120.11 3kp4 h LYS 105 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3kp4 h LYS 105 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3kp4 h LYS 105 CO 0.01 0.36 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.27 3kp4 h TYR 106 N 0.00 0.29 0.00 -1.35 3.20 -1.32 0.22 116.97 118.01 3kp4 h TYR 106 Ca -0.00 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 3kp4 h TYR 106 Cb 0.67 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3kp4 h TYR 106 CO 0.00 0.59 -0.02 0.82 -1.64 0.00 0.00 178.16 177.91 3kp4 h ILE 107 N -0.09 0.31 0.09 1.81 1.08 -0.85 0.35 117.51 120.21 3kp4 h ILE 107 Ca 0.03 -0.12 -0.31 0.00 -0.39 0.00 0.00 64.86 64.08 3kp4 h ILE 107 Cb 0.52 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 3kp4 h ILE 107 CO 0.02 0.02 -1.59 0.11 -0.69 0.00 0.00 178.15 176.02 3kp4 h LYS 108 N 0.00 0.20 0.00 2.37 1.57 -0.67 -2.05 116.57 117.99 3kp4 h LYS 108 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3kp4 h LYS 108 Cb 0.08 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kp4 h LYS 108 CO 0.00 1.02 0.00 0.93 -0.57 0.00 0.00 179.45 180.84 3kp4 h GLU 109 N 0.05 0.00 0.19 3.15 5.08 0.78 -2.14 114.58 121.69 3kp4 h GLU 109 Ca -0.26 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.77 3kp4 h GLU 109 Cb 2.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.27 3kp4 h GLU 109 CO 0.14 0.00 -1.63 -0.09 -1.00 0.00 0.00 179.01 176.43 3kp4 h ARG 110 N 0.00 0.39 0.46 2.33 2.43 -0.36 -3.26 114.38 116.37 3kp4 h ARG 110 Ca 0.00 -0.67 -0.02 0.00 -0.81 0.00 0.00 59.98 58.48 3kp4 h ARG 110 Cb 0.58 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3kp4 h ARG 110 CO 0.00 1.32 -0.22 0.87 -1.51 0.00 0.00 179.97 180.43 3kp4 h LYS 111 N 0.03 -0.60 -1.05 0.20 1.57 -1.14 -1.95 116.57 113.63 3kp4 h LYS 111 Ca -0.32 0.04 0.32 0.00 -1.87 0.00 0.00 60.65 58.82 3kp4 h LYS 111 Cb 2.04 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 34.35 3kp4 h LYS 111 CO 0.17 -0.36 0.63 0.00 -0.57 0.00 0.00 179.45 179.32 3kp4 h ALA 112 N -0.17 2.09 0.08 3.86 0.00 -1.54 0.43 119.26 124.01 3kp4 h ALA 112 Ca -0.06 0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 3kp4 h ALA 112 Cb 0.51 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kp4 h ALA 112 CO 0.10 -0.66 -1.16 0.82 0.00 0.00 0.00 179.25 178.35 3kp4 h ILE 113 N 0.33 1.57 -0.03 0.00 2.04 -1.56 -2.86 117.51 116.99 3kp4 h ILE 113 Ca 0.72 -3.20 -0.02 0.00 1.00 0.00 0.00 64.86 63.36 3kp4 h ILE 113 Cb 1.73 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.70 3kp4 h ILE 113 CO -0.52 0.92 -0.06 0.24 0.00 0.00 0.00 178.15 178.73 3kp4 h MET 114 N 0.04 0.09 -0.78 2.37 2.86 0.03 -3.12 114.93 116.44 3kp4 h MET 114 Ca -0.09 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3kp4 h MET 114 Cb 1.89 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 33.51 3kp4 h MET 114 CO 0.17 0.62 0.51 0.77 1.06 0.00 0.00 176.91 180.04 3kp4 h SER 115 N -0.43 0.69 -0.46 1.22 0.02 -0.38 0.16 113.55 114.39 3kp4 h SER 115 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3kp4 h SER 115 Cb 0.62 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3kp4 h SER 115 CO 0.01 0.44 0.03 -0.74 -1.14 0.00 0.00 176.83 175.43 3kp4 h HIS 116 N 0.78 0.85 0.12 3.45 6.17 -1.52 -1.93 115.15 123.07 3kp4 h HIS 116 Ca 0.34 -0.14 -0.28 0.00 0.71 0.00 0.00 60.37 61.01 3kp4 h HIS 116 Cb 0.32 -0.23 -0.00 0.00 2.52 0.00 0.00 27.41 30.03 3kp4 h HIS 116 CO -0.00 0.81 -1.33 -0.84 0.71 0.00 0.00 177.93 177.29 3kp4 h ILE 117 N 0.64 1.40 -0.14 6.26 -0.00 -1.40 -3.15 117.51 121.11 3kp4 h ILE 117 Ca 0.13 -2.99 0.02 0.00 -0.00 0.00 0.00 64.86 62.02 3kp4 h ILE 117 Cb 0.45 2.89 -0.02 0.00 -0.00 0.00 0.00 36.82 40.14 3kp4 h ILE 117 CO 0.02 0.87 0.03 0.00 -0.00 0.00 0.00 178.15 179.07 3kp4 h ALA 118 N 0.57 0.14 -0.92 0.16 0.00 -0.65 -2.21 119.26 116.36 3kp4 h ALA 118 Ca -0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kp4 h ALA 118 Cb 1.98 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 3kp4 h ALA 118 CO 0.19 -0.42 0.52 0.66 0.00 0.00 0.00 179.25 180.20 3kp4 h SER 119 N 0.09 1.13 -0.53 0.00 4.64 -1.46 -2.11 113.55 115.32 3kp4 h SER 119 Ca 0.06 -0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.40 3kp4 h SER 119 Cb 0.05 -0.29 -0.11 0.00 -0.31 0.00 0.00 62.40 61.75 3kp4 h SER 119 CO -0.08 0.89 -0.24 0.44 -0.87 0.00 0.00 176.83 176.97 3kp4 h ASP 120 N 1.27 -0.83 0.57 4.97 3.32 -1.37 0.25 116.42 124.61 3kp4 h ASP 120 Ca 0.32 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3kp4 h ASP 120 Cb -0.00 0.45 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3kp4 h ASP 120 CO -0.06 -0.26 0.00 0.23 -1.72 0.00 0.00 179.24 177.44 3kp4 n MET 121 N -5.42 0.30 -0.04 3.56 2.81 -0.89 -3.64 117.12 113.80 3kp4 n MET 121 Ca 0.04 0.04 0.01 0.00 -1.81 0.00 0.00 57.70 55.99 3kp4 n MET 121 Cb 0.33 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.35 3kp4 n MET 121 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kp4 n THR 122 N -1.33 0.70 0.34 2.03 -2.24 -0.12 -4.77 114.28 108.90 3kp4 n THR 122 Ca 0.11 -0.74 0.23 0.00 -2.27 0.00 0.00 64.05 61.37 3kp4 n THR 122 Cb 0.23 0.58 1.22 0.00 -2.10 0.00 0.00 70.33 70.26 3kp4 n THR 122 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kp4 h SER 123 N 0.00 0.00 -0.25 3.42 4.64 -0.67 -2.60 113.55 118.09 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 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 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 -3.07 2.71 -4.81 4.97 5.75 -1.26 -5.03 116.55 115.81 3kp4 n ASP 124 Ca -0.03 -1.81 -0.30 0.00 -0.01 0.00 0.00 54.79 52.63 3kp4 n ASP 124 Cb 0.07 -0.16 0.07 0.00 -1.03 0.00 0.00 41.12 40.07 3kp4 n ASP 124 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kp4 s PHE 125 N -1.07 2.97 -0.53 2.11 2.99 -0.98 -4.98 117.98 118.48 3kp4 s PHE 125 Ca 0.23 1.30 -0.21 0.00 0.00 0.00 0.00 56.93 58.25 3kp4 s PHE 125 Cb 0.13 -3.00 0.05 0.00 0.00 0.00 0.00 43.02 40.21 3kp4 s PHE 125 CO 0.19 -1.50 0.75 0.34 -0.00 0.00 0.00 175.22 175.00 3kp4 s ASP 126 N -3.84 6.26 0.63 1.36 3.68 -1.26 -4.91 116.67 118.59 3kp4 s ASP 126 Ca 0.59 -0.74 0.21 0.00 2.13 0.00 0.00 52.55 54.74 3kp4 s ASP 126 Cb -0.14 -2.35 1.01 0.00 -1.45 0.00 0.00 42.92 39.99 3kp4 s ASP 126 CO 0.55 -1.04 1.53 0.77 0.13 0.00 0.00 175.17 177.11 3kp4 h SER 127 N 9.14 0.00 0.45 -0.34 4.64 -1.96 0.44 113.55 125.92 3kp4 h SER 127 Ca -0.27 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.75 3kp4 h SER 127 Cb 1.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 3kp4 h SER 127 CO 1.02 0.00 -1.70 0.11 -0.87 0.00 0.00 176.83 175.39 3kp4 h LYS 128 N 0.00 0.07 0.21 4.77 1.57 -1.99 -2.85 116.57 118.34 3kp4 h LYS 128 Ca 0.17 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kp4 h LYS 128 Cb 1.67 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 3kp4 h LYS 128 CO -0.00 0.71 -0.16 0.93 -0.57 0.00 0.00 179.45 180.36 3kp4 h GLU 129 N 0.02 -0.36 -1.00 3.15 5.08 -0.55 -1.79 114.58 119.12 3kp4 h GLU 129 Ca -0.29 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.30 3kp4 h GLU 129 Cb 2.00 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 31.22 3kp4 h GLU 129 CO 0.09 -0.24 0.61 0.82 -1.00 0.00 0.00 179.01 179.29 3kp4 h ILE 130 N -0.37 0.66 0.40 3.13 1.08 -1.50 -1.73 117.51 119.18 3kp4 h ILE 130 Ca -0.01 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3kp4 h ILE 130 Cb 0.33 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 3kp4 h ILE 130 CO -0.00 0.13 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.87 3kp4 h GLU 131 N 0.72 -0.78 -0.98 2.37 5.08 -1.08 0.33 114.58 120.25 3kp4 h GLU 131 Ca 0.60 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 59.07 3kp4 h GLU 131 Cb 0.98 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 3kp4 h GLU 131 CO -0.41 -0.52 0.63 -0.22 -1.00 0.00 0.00 179.01 177.50 3kp4 h LYS 132 N -0.81 1.12 -0.84 2.33 3.64 -1.04 -0.34 116.57 120.64 3kp4 h LYS 132 Ca -0.03 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3kp4 h LYS 132 Cb 0.72 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3kp4 h LYS 132 CO -0.06 0.74 0.38 0.28 -2.27 0.00 0.00 179.45 178.53 3kp4 h VAL 133 N 1.16 1.26 -0.45 2.00 2.07 -0.79 -2.46 116.25 119.04 3kp4 h VAL 133 Ca 0.41 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3kp4 h VAL 133 Cb 0.13 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3kp4 h VAL 133 CO -0.15 0.32 -0.13 -0.09 0.02 0.00 0.00 177.57 177.54 3kp4 h ARG 134 N 1.20 0.83 -0.57 1.57 2.43 0.12 -2.65 114.38 117.32 3kp4 h ARG 134 Ca 0.29 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3kp4 h ARG 134 Cb 0.15 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3kp4 h ARG 134 CO -0.03 0.91 0.26 1.96 -1.51 0.00 0.00 179.97 181.56 3kp4 h GLN 135 N 0.74 0.80 -0.56 0.20 4.20 -0.83 0.74 115.11 120.42 3kp4 h GLN 135 Ca 0.12 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3kp4 h GLN 135 Cb 0.63 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3kp4 h GLN 135 CO 0.04 0.64 -0.01 0.28 -0.67 0.00 0.00 178.83 179.11 3kp4 h VAL 136 N 0.80 1.26 0.00 -0.54 2.07 -1.18 -2.60 116.25 116.06 3kp4 h VAL 136 Ca 0.20 -1.11 -0.15 0.00 0.82 0.00 0.00 66.70 66.45 3kp4 h VAL 136 Cb 0.11 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3kp4 h VAL 136 CO -0.02 0.40 -0.72 -0.07 0.02 0.00 0.00 177.57 177.18 3kp4 h LEU 137 N 0.88 0.00 -0.69 2.57 3.38 -1.01 -1.67 115.31 118.77 3kp4 h LEU 137 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3kp4 h LEU 137 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kp4 h LEU 137 CO 0.03 0.72 -0.44 -0.33 0.09 0.00 0.00 178.44 178.51 3kp4 h GLU 138 N 0.00 0.50 -0.10 1.13 5.08 -0.75 0.38 114.58 120.82 3kp4 h GLU 138 Ca -0.01 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 3kp4 h GLU 138 Cb 1.32 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.59 3kp4 h GLU 138 CO 0.09 0.84 -0.60 0.82 -1.00 0.00 0.00 179.01 179.16 3kp4 h ILE 139 N 0.41 1.35 -0.46 3.13 2.04 -1.37 0.23 117.51 122.83 3kp4 h ILE 139 Ca 0.03 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 63.94 3kp4 h ILE 139 Cb 0.93 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 3kp4 h ILE 139 CO 0.08 0.58 0.11 0.40 0.00 0.00 0.00 178.15 179.32 3kp4 h ILE 140 N 0.21 1.24 -0.26 -0.67 2.04 -1.18 -1.59 117.51 117.30 3kp4 h ILE 140 Ca -0.05 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3kp4 h ILE 140 Cb 1.25 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3kp4 h ILE 140 CO 0.12 0.29 0.11 -0.78 0.00 0.00 0.00 178.15 177.90 3kp4 h ASP 141 N 0.62 0.16 -0.69 1.72 3.58 -0.14 0.13 116.42 121.79 3kp4 h ASP 141 Ca 0.14 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.76 3kp4 h ASP 141 Cb 0.33 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.26 3kp4 h ASP 141 CO 0.00 0.13 0.14 0.22 -2.88 0.00 0.00 179.24 176.85 3kp4 h TYR 142 N 0.25 0.21 -0.10 0.28 3.20 -0.27 -0.84 116.97 119.71 3kp4 h TYR 142 Ca 0.11 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 3kp4 h TYR 142 Cb 0.05 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3kp4 h TYR 142 CO -0.11 -0.09 -0.60 0.00 -1.64 0.00 0.00 178.16 175.73 3kp4 h ARG 143 N 0.25 0.35 -0.41 1.82 3.08 -0.58 -2.71 114.38 116.17 3kp4 h ARG 143 Ca 0.38 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kp4 h ARG 143 Cb 0.63 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3kp4 h ARG 143 CO -0.49 0.84 0.24 0.82 -1.07 0.00 0.00 179.97 180.31 3kp4 h ILE 144 N 0.26 1.14 -0.84 2.04 2.04 0.57 -1.92 117.51 120.80 3kp4 h ILE 144 Ca -0.01 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3kp4 h ILE 144 Cb 1.12 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3kp4 h ILE 144 CO 0.10 0.14 0.40 1.56 0.00 0.00 0.00 178.15 180.35 3kp4 h GLN 145 N 0.54 1.21 0.03 2.37 4.20 -1.24 -2.51 115.11 119.71 3kp4 h GLN 145 Ca 0.15 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kp4 h GLN 145 Cb 0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3kp4 h GLN 145 CO -0.03 0.93 -0.01 0.77 -0.67 0.00 0.00 178.83 179.82 3kp4 h SER 146 N 1.20 -0.03 -0.04 1.46 0.02 -1.10 -2.80 113.55 112.26 3kp4 h SER 146 Ca 0.29 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 3kp4 h SER 146 Cb 0.13 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kp4 h SER 146 CO -0.04 0.00 -0.23 1.88 -1.14 0.00 0.00 176.83 177.31 3kp4 h TYR 147 N -0.07 0.49 0.00 3.45 -1.99 -1.37 -2.72 116.97 114.76 3kp4 h TYR 147 Ca -0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3kp4 h TYR 147 Cb 0.06 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.67 3kp4 h TYR 147 CO -0.07 0.64 0.00 2.41 -0.00 0.00 0.00 178.16 181.14 3kp4 n THR 148 N -4.14 0.80 -0.08 -2.88 -1.04 -0.95 -4.74 114.28 101.26 3kp4 n THR 148 Ca -0.00 0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3kp4 n THR 148 Cb 0.38 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 3kp4 n THR 148 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3kp4 n SER 149 N -1.25 -0.53 0.00 8.00 7.64 -1.03 -4.59 113.62 121.86 3kp4 n SER 149 Ca 0.03 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3kp4 n SER 149 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3kp4 n SER 149 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3kp4 n LYS 150 N -0.61 0.00 0.00 1.43 3.00 -1.26 -5.11 118.16 115.61 3kp4 n LYS 150 Ca 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 3kp4 n LYS 150 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.06 3kp4 n LYS 150 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68