#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp2 h ARG 4 N 0.00 -0.06 -0.26 5.56 9.65 -2.05 -1.59 114.38 125.63 3kp2 h ARG 4 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 3kp2 h ARG 4 Cb 0.00 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3kp2 h ARG 4 CO 0.00 0.52 -0.21 0.82 2.80 0.00 0.00 179.97 183.90 3kp2 h ILE 5 N -0.68 1.31 -0.34 1.20 1.08 -2.06 -2.84 117.51 115.17 3kp2 h ILE 5 Ca -0.01 -1.35 0.10 0.00 -0.39 0.00 0.00 64.86 63.21 3kp2 h ILE 5 Cb 0.60 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 3kp2 h ILE 5 CO 0.01 0.42 0.36 -0.08 -0.69 0.00 0.00 178.15 178.17 3kp2 h GLU 6 N 0.32 0.00 0.03 2.37 4.81 -2.00 0.97 114.58 121.09 3kp2 h GLU 6 Ca 0.05 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 3kp2 h GLU 6 Cb 0.75 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3kp2 h GLU 6 CO 0.05 0.00 -0.99 0.22 -0.73 0.00 0.00 179.01 177.57 3kp2 h ASP 7 N 0.00 0.24 0.96 1.04 3.58 -1.05 -2.77 116.42 118.43 3kp2 h ASP 7 Ca 0.16 -0.22 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 3kp2 h ASP 7 Cb 0.88 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 3kp2 h ASP 7 CO -0.00 1.08 -0.49 0.45 -2.88 0.00 0.00 179.24 177.40 3kp2 h HIS 8 N 0.08 0.00 0.05 0.28 3.86 0.10 -2.09 115.15 117.43 3kp2 h HIS 8 Ca -0.06 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.97 3kp2 h HIS 8 Cb 1.67 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.15 3kp2 h HIS 8 CO 0.03 0.49 -0.76 0.82 0.86 0.00 0.00 177.93 179.37 3kp2 h ILE 9 N 0.00 1.43 -0.10 2.45 2.04 -1.16 -1.32 117.51 120.85 3kp2 h ILE 9 Ca -0.00 -2.26 0.03 0.00 1.00 0.00 0.00 64.86 63.62 3kp2 h ILE 9 Cb 1.10 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.92 3kp2 h ILE 9 CO 0.06 0.66 -0.09 0.28 0.00 0.00 0.00 178.15 179.06 3kp2 h SER 10 N -0.11 -0.29 -0.89 1.72 0.02 -1.48 0.91 113.55 113.44 3kp2 h SER 10 Ca -0.11 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kp2 h SER 10 Cb 1.50 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 3kp2 h SER 10 CO 0.15 -0.13 0.55 0.15 -1.14 0.00 0.00 176.83 176.41 3kp2 h PHE 11 N -0.11 1.16 -0.52 3.45 3.57 -1.43 0.50 116.94 123.55 3kp2 h PHE 11 Ca 0.07 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3kp2 h PHE 11 Cb 0.21 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3kp2 h PHE 11 CO -0.20 0.76 -0.06 1.25 -2.23 0.00 0.00 178.31 177.82 3kp2 h LEU 12 N 1.22 0.92 -0.63 0.59 5.85 -0.10 0.74 115.31 123.92 3kp2 h LEU 12 Ca 0.32 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3kp2 h LEU 12 Cb -0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3kp2 h LEU 12 CO -0.06 1.02 0.11 -0.33 -0.34 0.00 0.00 178.44 178.84 3kp2 h GLU 13 N 0.85 1.03 -0.34 1.25 5.08 0.16 -1.40 114.58 121.20 3kp2 h GLU 13 Ca 0.14 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3kp2 h GLU 13 Cb 0.59 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3kp2 h GLU 13 CO 0.04 0.96 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.69 3kp2 h LYS 14 N 0.94 0.67 -0.12 2.33 3.64 -0.72 -2.00 116.57 121.31 3kp2 h LYS 14 Ca 0.19 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kp2 h LYS 14 Cb 0.42 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3kp2 h LYS 14 CO 0.01 0.84 -0.00 0.35 -2.27 0.00 0.00 179.45 178.38 3kp2 h PHE 15 N 0.45 -0.01 -0.65 1.91 3.57 -0.66 -0.20 116.94 121.37 3kp2 h PHE 15 Ca 0.09 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kp2 h PHE 15 Cb 0.60 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3kp2 h PHE 15 CO 0.05 -0.02 0.39 0.82 -2.23 0.00 0.00 178.31 177.32 3kp2 h ILE 16 N 0.04 1.19 -0.78 1.41 2.04 -1.23 -1.03 117.51 119.16 3kp2 h ILE 16 Ca 0.06 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3kp2 h ILE 16 Cb 0.07 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3kp2 h ILE 16 CO -0.10 0.20 0.36 -1.13 0.00 0.00 0.00 178.15 177.48 3kp2 h ASN 17 N 0.88 1.03 -0.66 1.72 -1.24 -1.16 -1.37 115.58 114.78 3kp2 h ASN 17 Ca 0.23 -0.15 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 3kp2 h ASN 17 Cb -0.02 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.74 3kp2 h ASN 17 CO -0.04 0.89 0.17 0.44 -1.29 0.00 0.00 177.43 177.60 3kp2 h ASP 18 N 1.10 0.98 -0.45 1.15 3.32 -0.41 -0.09 116.42 122.02 3kp2 h ASP 18 Ca 0.26 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kp2 h ASP 18 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3kp2 h ASP 18 CO -0.03 0.95 0.24 0.58 -1.72 0.00 0.00 179.24 179.26 3kp2 h VAL 19 N 0.97 1.17 -0.66 -1.35 2.07 -0.92 -0.59 116.25 116.93 3kp2 h VAL 19 Ca 0.21 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3kp2 h VAL 19 Cb 0.34 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3kp2 h VAL 19 CO -0.00 0.18 0.12 0.78 0.02 0.00 0.00 177.57 178.67 3kp2 h ASN 20 N 0.59 1.03 -0.64 0.57 2.35 -1.02 -1.73 115.58 116.73 3kp2 h ASN 20 Ca 0.16 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3kp2 h ASN 20 Cb 0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3kp2 h ASN 20 CO -0.02 1.02 0.24 0.74 -1.65 0.00 0.00 177.43 177.76 3kp2 h THR 21 N 1.00 1.24 0.32 2.81 2.02 -0.70 -1.69 112.91 117.91 3kp2 h THR 21 Ca 0.20 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3kp2 h THR 21 Cb 0.42 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3kp2 h THR 21 CO 0.01 0.30 -0.15 0.25 0.37 0.00 0.00 175.52 176.30 3kp2 h LEU 22 N 0.91 -0.36 -0.46 2.58 5.85 -0.92 -2.64 115.31 120.28 3kp2 h LEU 22 Ca 0.21 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.97 3kp2 h LEU 22 Cb 0.23 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 3kp2 h LEU 22 CO -0.01 -0.17 -0.17 0.74 -0.34 0.00 0.00 178.44 178.48 3kp2 h THR 23 N -0.54 0.43 -0.66 1.05 2.02 -1.22 0.34 112.91 114.33 3kp2 h THR 23 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3kp2 h THR 23 Cb 0.40 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3kp2 h THR 23 CO 0.07 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.30 3kp2 h ALA 24 N 1.30 0.89 -0.36 6.16 0.00 -1.26 0.24 119.26 126.23 3kp2 h ALA 24 Ca 0.22 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3kp2 h ALA 24 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kp2 h ALA 24 CO -0.51 -0.02 -0.15 0.87 0.00 0.00 0.00 179.25 179.44 3kp2 h LYS 25 N 0.61 0.74 -0.20 0.00 1.57 -0.96 -1.45 116.57 116.88 3kp2 h LYS 25 Ca 0.31 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3kp2 h LYS 25 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3kp2 h LYS 25 CO -0.22 0.92 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.27 3kp2 h LEU 26 N 0.52 0.36 -2.04 2.94 3.38 0.44 -3.26 115.31 117.66 3kp2 h LEU 26 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kp2 h LEU 26 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kp2 h LEU 26 CO 0.05 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.37 3kp2 n LEU 27 N -4.15 2.95 -0.16 1.67 4.77 0.76 -4.67 117.00 118.16 3kp2 n LEU 27 Ca -0.01 -1.25 -0.02 0.00 -0.03 0.00 0.00 56.01 54.70 3kp2 n LEU 27 Cb 0.37 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3kp2 n LEU 27 CO 0.41 0.58 0.86 0.50 -1.33 0.00 0.00 177.39 178.40 3kp2 h LYS 28 N 3.92 0.13 -0.50 3.23 3.64 -1.30 -1.40 116.57 124.28 3kp2 h LYS 28 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3kp2 h LYS 28 Cb 0.87 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 3kp2 h LYS 28 CO 0.00 0.09 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.70 3kp2 h ASP 29 N 0.14 0.95 -0.46 4.20 3.32 -1.84 -1.77 116.42 120.96 3kp2 h ASP 29 Ca 0.26 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3kp2 h ASP 29 Cb 0.38 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3kp2 h ASP 29 CO -0.40 1.08 0.15 0.25 -1.72 0.00 0.00 179.24 178.59 3kp2 h LEU 30 N 0.84 0.67 -0.63 1.55 5.85 -1.79 0.11 115.31 121.91 3kp2 h LEU 30 Ca 0.13 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3kp2 h LEU 30 Cb 0.67 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3kp2 h LEU 30 CO 0.05 0.70 0.40 1.56 -0.34 0.00 0.00 178.44 180.81 3kp2 h GLN 31 N 0.61 0.78 -0.47 1.25 4.20 -1.14 -2.02 115.11 118.32 3kp2 h GLN 31 Ca 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3kp2 h GLN 31 Cb 0.26 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3kp2 h GLN 31 CO -0.01 0.52 0.00 1.15 -0.67 0.00 0.00 178.83 179.82 3kp2 h THR 32 N 0.80 1.24 -0.15 -0.54 2.02 -1.00 0.31 112.91 115.59 3kp2 h THR 32 Ca 0.24 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 3kp2 h THR 32 Cb -0.03 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3kp2 h THR 32 CO -0.08 0.34 -0.37 -0.08 0.37 0.00 0.00 175.52 175.70 3kp2 h GLU 33 N 0.72 0.31 -0.21 6.66 4.81 -0.40 -2.40 114.58 124.08 3kp2 h GLU 33 Ca 0.14 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kp2 h GLU 33 Cb 0.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3kp2 h GLU 33 CO 0.02 0.64 0.00 0.66 -0.73 0.00 0.00 179.01 179.60 3kp2 n TYR 34 N -4.05 0.25 -2.73 0.92 4.02 -0.79 -4.96 117.16 109.82 3kp2 n TYR 34 Ca -0.01 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.90 57.61 3kp2 n TYR 34 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.80 3kp2 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp2 n GLY 35 N 1.33 -0.09 3.42 2.72 0.00 -0.17 -5.03 105.19 107.36 3kp2 n GLY 35 Ca 0.17 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3kp2 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kp2 s ILE 36 N -2.93 1.52 0.50 -0.61 -4.36 0.90 -5.00 121.20 111.23 3kp2 s ILE 36 Ca 0.19 -2.10 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 3kp2 s ILE 36 Cb -0.08 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.19 3kp2 s ILE 36 CO 0.23 -0.28 0.70 -0.94 0.24 0.00 0.00 174.94 174.89 3kp2 s SER 37 N -3.43 5.41 0.10 4.36 1.04 -1.26 -4.09 113.70 115.82 3kp2 s SER 37 Ca 0.30 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.30 3kp2 s SER 37 Cb 0.04 -0.77 -0.12 0.00 0.10 0.00 0.00 66.02 65.27 3kp2 s SER 37 CO 0.12 -1.01 1.69 0.00 0.98 0.00 0.00 173.24 175.02 3kp2 h ALA 38 N 0.28 -0.27 -0.68 5.32 0.00 -1.98 -1.26 119.26 120.67 3kp2 h ALA 38 Ca -0.41 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3kp2 h ALA 38 Cb 1.29 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3kp2 h ALA 38 CO 0.49 -0.67 0.45 1.05 0.00 0.00 0.00 179.25 180.57 3kp2 h GLU 39 N -0.30 0.79 -0.44 0.00 9.09 -1.99 0.08 114.58 121.80 3kp2 h GLU 39 Ca 0.00 -0.05 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 3kp2 h GLU 39 Cb 0.29 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 3kp2 h GLU 39 CO -0.03 0.52 0.01 1.96 0.05 0.00 0.00 179.01 181.52 3kp2 h GLN 40 N 0.81 0.77 0.00 1.06 4.20 -1.85 -2.06 115.11 118.04 3kp2 h GLN 40 Ca 0.27 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3kp2 h GLN 40 Cb 0.07 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3kp2 h GLN 40 CO -0.08 0.83 -0.10 1.03 -0.67 0.00 0.00 178.83 179.85 3kp2 h SER 41 N 0.62 0.00 -0.04 1.46 0.87 -0.07 -1.36 113.55 115.03 3kp2 h SER 41 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3kp2 h SER 41 Cb 0.48 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3kp2 h SER 41 CO 0.02 0.10 -0.03 -0.74 -0.53 0.00 0.00 176.83 175.64 3kp2 h HIS 42 N 0.00 0.11 -0.88 2.24 -0.00 -0.35 -1.47 115.15 114.79 3kp2 h HIS 42 Ca -0.00 -0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.45 3kp2 h HIS 42 Cb 0.20 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.52 3kp2 h HIS 42 CO 0.00 0.54 0.57 0.28 -0.00 0.00 0.00 177.93 179.32 3kp2 h VAL 43 N -0.36 0.92 -0.64 5.26 2.07 -0.91 -1.26 116.25 121.33 3kp2 h VAL 43 Ca 0.01 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3kp2 h VAL 43 Cb 0.52 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3kp2 h VAL 43 CO 0.01 0.15 0.21 -0.07 0.02 0.00 0.00 177.57 177.89 3kp2 h LEU 44 N 0.80 0.92 -0.43 2.57 3.38 -0.96 -1.32 115.31 120.28 3kp2 h LEU 44 Ca 0.42 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3kp2 h LEU 44 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kp2 h LEU 44 CO -0.18 0.88 -0.09 -1.13 0.09 0.00 0.00 178.44 178.00 3kp2 h ASN 45 N 0.92 0.83 -0.01 -0.43 -0.00 -0.19 -2.19 115.58 114.51 3kp2 h ASN 45 Ca 0.21 -0.36 0.02 0.00 -0.00 0.00 0.00 56.30 56.17 3kp2 h ASN 45 Cb 0.28 -0.23 -0.03 0.00 -0.00 0.00 0.00 38.32 38.34 3kp2 h ASN 45 CO -0.01 0.99 -0.15 0.24 -0.00 0.00 0.00 177.43 178.51 3kp2 h MET 46 N 0.65 -0.23 0.00 6.67 2.86 -1.17 0.15 114.93 123.86 3kp2 h MET 46 Ca 0.11 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3kp2 h MET 46 Cb 0.63 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3kp2 h MET 46 CO 0.04 -0.15 0.12 -0.07 1.06 0.00 0.00 176.91 177.91 3kp2 h LEU 47 N -0.24 0.00 -0.16 1.22 3.38 -1.03 0.71 115.31 119.19 3kp2 h LEU 47 Ca 0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3kp2 h LEU 47 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kp2 h LEU 47 CO -0.15 0.00 -0.70 0.77 0.09 0.00 0.00 178.44 178.46 3kp2 h SER 48 N 0.00 0.00 -0.38 -0.43 4.64 -0.33 -2.94 113.55 114.11 3kp2 h SER 48 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3kp2 h SER 48 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3kp2 h SER 48 CO 0.00 0.70 -0.09 0.40 -0.87 0.00 0.00 176.83 176.97 3kp2 h ILE 49 N 0.00 1.28 -1.32 0.95 2.04 0.77 -3.47 117.51 117.75 3kp2 h ILE 49 Ca -0.01 -1.17 0.28 0.00 1.00 0.00 0.00 64.86 64.96 3kp2 h ILE 49 Cb 1.47 1.25 -0.20 0.00 -0.74 0.00 0.00 36.82 38.60 3kp2 h ILE 49 CO 0.09 0.39 0.87 -1.83 0.00 0.00 0.00 178.15 177.67 3kp2 s GLU 50 N -4.79 0.21 -0.51 2.37 -1.05 -0.90 -5.10 118.70 108.92 3kp2 s GLU 50 Ca -0.13 -0.07 -0.29 0.00 -0.15 0.00 0.00 54.97 54.33 3kp2 s GLU 50 Cb 0.10 0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 3kp2 s GLU 50 CO 0.81 -0.09 1.23 0.00 0.95 0.00 0.00 175.26 178.16 3kp2 s ALA 51 N -2.26 3.04 0.29 -0.84 0.00 -1.26 -3.99 121.76 116.74 3kp2 s ALA 51 Ca 0.10 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.57 3kp2 s ALA 51 Cb -0.01 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 3kp2 s ALA 51 CO -0.04 -2.50 0.18 -0.51 0.00 0.00 0.00 175.76 172.89 3kp2 s LEU 52 N 4.98 3.57 0.52 0.00 1.43 -1.23 -4.95 118.68 123.01 3kp2 s LEU 52 Ca 0.49 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3kp2 s LEU 52 Cb -0.09 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.07 3kp2 s LEU 52 CO 0.29 -0.15 0.72 0.42 0.23 0.00 0.00 176.35 177.86 3kp2 s THR 53 N -2.26 2.62 0.13 5.49 -4.23 -1.12 -4.03 115.64 112.25 3kp2 s THR 53 Ca 0.35 -0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 59.77 3kp2 s THR 53 Cb -0.06 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 3kp2 s THR 53 CO 0.24 0.00 1.64 -0.37 -0.54 0.00 0.00 174.62 175.60 3kp2 h VAL 54 N 0.25 0.47 -0.84 2.29 -1.51 -1.98 -2.38 116.25 112.55 3kp2 h VAL 54 Ca -0.38 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.21 3kp2 h VAL 54 Cb 1.28 0.47 -0.08 0.00 -2.13 0.00 0.00 31.29 30.83 3kp2 h VAL 54 CO 0.45 0.00 0.46 1.23 -1.23 0.00 0.00 177.57 178.48 3kp2 h GLY 55 N -0.28 1.32 0.65 5.19 0.00 -1.99 -1.68 103.07 106.28 3kp2 h GLY 55 Ca 0.10 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.17 3kp2 h GLY 55 CO -0.28 0.06 -0.01 1.46 0.00 0.00 0.00 176.54 177.77 3kp2 h GLN 56 N 0.73 0.05 0.00 4.80 4.20 -1.83 -1.95 115.11 121.10 3kp2 h GLN 56 Ca 0.42 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3kp2 h GLN 56 Cb 0.48 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3kp2 h GLN 56 CO -0.29 0.03 0.00 0.97 -0.67 0.00 0.00 178.83 178.87 3kp2 h ILE 57 N 0.05 0.00 0.02 2.54 6.09 -1.07 -2.06 117.51 123.08 3kp2 h ILE 57 Ca 0.10 -0.47 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 3kp2 h ILE 57 Cb 0.13 1.44 0.00 0.00 0.47 0.00 0.00 36.82 38.86 3kp2 h ILE 57 CO -0.18 0.00 -0.01 0.74 -3.07 0.00 0.00 178.15 175.63 3kp2 h THR 58 N 0.00 1.21 0.00 2.19 2.02 -0.60 -3.16 112.91 114.57 3kp2 h THR 58 Ca 0.00 -1.80 -0.11 0.00 0.77 0.00 0.00 66.41 65.28 3kp2 h THR 58 Cb 0.49 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 3kp2 h THR 58 CO 0.00 0.39 -0.51 -0.08 0.37 0.00 0.00 175.52 175.70 3kp2 h GLU 59 N -0.96 0.00 0.30 6.66 4.81 -1.47 0.30 114.58 124.22 3kp2 h GLU 59 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3kp2 h GLU 59 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3kp2 h GLU 59 CO 0.01 0.51 -0.14 0.87 -0.73 0.00 0.00 179.01 179.52 3kp2 h LYS 60 N 0.00 -0.39 0.00 1.92 1.57 -1.50 -2.52 116.57 115.66 3kp2 h LYS 60 Ca -0.01 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kp2 h LYS 60 Cb 1.02 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3kp2 h LYS 60 CO 0.07 -0.26 0.00 1.96 -0.57 0.00 0.00 179.45 180.65 3kp2 h GLN 61 N -0.41 0.00 -5.22 3.15 4.20 -1.61 -3.47 115.11 111.75 3kp2 h GLN 61 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kp2 h GLN 61 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3kp2 h GLN 61 CO 0.07 0.00 -0.35 0.41 -0.67 0.00 0.00 178.83 178.29 3kp2 n GLY 62 N -0.91 -1.27 3.40 3.46 0.00 0.06 -5.06 105.19 104.86 3kp2 n GLY 62 Ca -0.02 1.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.90 3kp2 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp2 s VAL 63 N -2.68 0.00 1.28 1.61 1.01 -0.98 -5.03 120.40 115.62 3kp2 s VAL 63 Ca 0.17 -1.68 -0.20 0.00 0.00 0.00 0.00 61.98 60.28 3kp2 s VAL 63 Cb -0.05 -2.32 0.32 0.00 0.00 0.00 0.00 36.38 34.33 3kp2 s VAL 63 CO 0.74 -0.02 1.03 0.20 0.00 0.00 0.00 175.10 177.04 3kp2 s ASN 64 N -3.08 0.17 0.00 3.32 -0.87 -1.26 -4.80 114.94 108.43 3kp2 s ASN 64 Ca 0.30 0.84 0.00 0.00 -1.57 0.00 0.00 52.86 52.42 3kp2 s ASN 64 Cb 0.03 -1.21 0.00 0.00 -0.02 0.00 0.00 41.25 40.05 3kp2 s ASN 64 CO 0.10 -4.61 0.00 0.29 -2.57 0.00 0.00 177.10 170.31 3kp2 n LYS 65 N -5.12 0.00 -0.20 -0.60 5.02 -1.26 -3.97 118.16 112.04 3kp2 n LYS 65 Ca 0.11 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.55 3kp2 n LYS 65 Cb 0.59 -0.06 0.28 0.00 -0.02 0.00 0.00 35.03 35.83 3kp2 n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kp2 n ALA 66 N -3.00 0.49 -0.92 7.82 0.00 -1.26 -3.42 120.51 120.22 3kp2 n ALA 66 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3kp2 n ALA 66 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3kp2 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kp2 n ALA 67 N -2.87 0.00 -0.10 0.00 0.00 -1.25 -0.57 120.51 115.72 3kp2 n ALA 67 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 3kp2 n ALA 67 Cb 0.65 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 3kp2 n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kp2 h VAL 68 N 0.00 0.03 -0.84 0.00 2.07 -1.73 -0.19 116.25 115.59 3kp2 h VAL 68 Ca 0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.71 3kp2 h VAL 68 Cb 0.00 0.03 -0.15 0.00 -1.52 0.00 0.00 31.29 29.65 3kp2 h VAL 68 CO 0.00 0.00 -0.08 -1.28 0.02 0.00 0.00 177.57 176.23 3kp2 h SER 69 N -0.43 -0.55 -0.20 0.57 0.87 -1.71 0.39 113.55 112.48 3kp2 h SER 69 Ca 0.08 0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 3kp2 h SER 69 Cb 0.62 0.45 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 3kp2 h SER 69 CO -0.55 -0.26 0.01 0.08 -0.53 0.00 0.00 176.83 175.59 3kp2 h ARG 70 N 0.04 0.07 -0.68 2.24 0.11 0.94 0.31 114.38 117.42 3kp2 h ARG 70 Ca 0.45 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 3kp2 h ARG 70 Cb 0.79 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.82 3kp2 h ARG 70 CO -0.80 0.05 0.43 0.00 0.10 0.00 0.00 179.97 179.75 3kp2 h ARG 71 N 0.08 0.90 -0.06 0.08 3.08 -0.09 -2.19 114.38 116.18 3kp2 h ARG 71 Ca 0.09 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3kp2 h ARG 71 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3kp2 h ARG 71 CO -0.15 0.61 -0.52 0.28 -1.07 0.00 0.00 179.97 179.12 3kp2 h VAL 72 N 0.92 1.36 -0.46 2.04 2.07 -0.09 -1.96 116.25 120.14 3kp2 h VAL 72 Ca 0.25 -1.78 -0.13 0.00 0.82 0.00 0.00 66.70 65.85 3kp2 h VAL 72 Cb -0.08 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3kp2 h VAL 72 CO -0.05 0.52 -0.24 0.11 0.02 0.00 0.00 177.57 177.93 3kp2 h LYS 73 N 0.13 0.97 -0.59 1.57 1.57 -0.43 -1.82 116.57 117.96 3kp2 h LYS 73 Ca 0.00 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.26 3kp2 h LYS 73 Cb 0.96 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 3kp2 h LYS 73 CO 0.08 1.10 0.02 0.87 -0.57 0.00 0.00 179.45 180.95 3kp2 h LYS 74 N 0.81 1.02 -0.60 3.15 1.57 -1.20 -2.28 116.57 119.04 3kp2 h LYS 74 Ca 0.10 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3kp2 h LYS 74 Cb 0.82 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3kp2 h LYS 74 CO 0.07 1.00 0.14 -0.07 -0.57 0.00 0.00 179.45 180.03 3kp2 h LEU 75 N 0.92 0.92 -1.52 2.94 3.38 -1.23 -1.73 115.31 118.99 3kp2 h LEU 75 Ca 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3kp2 h LEU 75 Cb 0.53 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kp2 h LEU 75 CO 0.03 0.92 -0.12 -0.07 0.09 0.00 0.00 178.44 179.28 3kp2 h LEU 76 N 0.88 0.00 0.00 1.67 3.38 -1.22 -1.35 115.31 118.67 3kp2 h LEU 76 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kp2 h LEU 76 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kp2 h LEU 76 CO 0.00 0.12 -0.53 0.78 0.09 0.00 0.00 178.44 178.91 3kp2 h ASN 77 N 0.00 0.00 0.12 -0.43 -0.26 -0.94 -3.20 115.58 110.87 3kp2 h ASN 77 Ca -0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 3kp2 h ASN 77 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 3kp2 h ASN 77 CO 0.02 0.05 -0.59 0.00 -1.06 0.00 0.00 177.43 175.85 3kp2 n ALA 78 N -1.93 3.81 -3.08 -0.83 0.00 -0.69 -5.00 120.51 112.78 3kp2 n ALA 78 Ca 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 3kp2 n ALA 78 Cb 0.47 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 19.06 3kp2 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp2 n GLU 79 N -0.81 -1.85 0.00 0.00 1.02 -0.58 -4.93 120.64 113.49 3kp2 n GLU 79 Ca 0.08 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 3kp2 n GLU 79 Cb 0.38 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.27 3kp2 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp2 n LEU 80 N -2.72 0.00 -4.53 -4.62 4.77 -1.09 -4.34 117.00 104.48 3kp2 n LEU 80 Ca -0.05 -0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.52 3kp2 n LEU 80 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3kp2 n LEU 80 CO 0.53 0.00 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.61 3kp2 s VAL 81 N -0.90 1.66 -0.16 4.08 1.01 -1.25 -1.97 120.40 122.87 3kp2 s VAL 81 Ca 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 61.98 59.91 3kp2 s VAL 81 Cb 0.00 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.63 3kp2 s VAL 81 CO 0.00 -0.05 0.22 -0.54 0.00 0.00 0.00 175.10 174.72 3kp2 s LYS 82 N -3.77 0.15 0.59 2.72 1.02 0.59 -4.56 119.74 116.47 3kp2 s LYS 82 Ca 0.35 0.40 -0.20 0.00 0.02 0.00 0.00 55.97 56.53 3kp2 s LYS 82 Cb 0.08 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.60 3kp2 s LYS 82 CO 0.16 -0.50 1.34 -1.17 -0.92 0.00 0.00 175.35 174.26 3kp2 s LEU 83 N 2.34 3.73 0.00 3.17 0.20 -1.26 0.04 118.68 126.90 3kp2 s LEU 83 Ca 0.05 2.73 0.00 0.00 0.69 0.00 0.00 54.13 57.60 3kp2 s LEU 83 Cb -0.14 -4.41 0.00 0.00 -0.43 0.00 0.00 46.19 41.21 3kp2 s LEU 83 CO -0.10 -1.78 0.00 -0.38 -0.29 0.00 0.00 176.35 173.80 3kp2 n ILE 96 N -1.40 0.00 -1.34 6.68 5.41 -1.26 -4.57 119.36 122.87 3kp2 n ILE 96 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3kp2 n ILE 96 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 3kp2 n ILE 96 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3kp2 n ILE 97 N 0.00 -5.33 -4.25 1.39 -0.00 -1.26 -2.77 119.36 107.14 3kp2 n ILE 97 Ca 0.00 0.93 -0.14 0.00 -0.00 0.00 0.00 62.75 63.54 3kp2 n ILE 97 Cb 0.00 -3.80 -0.10 0.00 -0.00 0.00 0.00 39.64 35.73 3kp2 n ILE 97 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 3kp2 s LYS 98 N -1.68 1.15 0.65 0.38 2.20 0.11 -3.49 119.74 119.05 3kp2 s LYS 98 Ca 0.00 -1.56 -0.09 0.00 -0.36 0.00 0.00 55.97 53.96 3kp2 s LYS 98 Cb 0.00 -0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.08 3kp2 s LYS 98 CO 0.00 -0.16 1.00 -0.51 -0.36 0.00 0.00 175.35 175.32 3kp2 s LEU 99 N -3.19 3.08 0.46 5.43 1.43 -1.26 0.22 118.68 124.85 3kp2 s LEU 99 Ca 0.26 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 3kp2 s LEU 99 Cb 0.06 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3kp2 s LEU 99 CO 0.05 -1.19 0.03 -0.94 0.23 0.00 0.00 176.35 174.54 3kp2 s SER 100 N -4.32 4.06 0.28 2.29 1.04 -0.83 -4.46 113.70 111.76 3kp2 s SER 100 Ca 0.56 -1.49 0.02 0.00 0.48 0.00 0.00 55.95 55.52 3kp2 s SER 100 Cb -0.11 0.07 0.58 0.00 0.10 0.00 0.00 66.02 66.67 3kp2 s SER 100 CO 0.49 -0.68 1.82 -1.13 0.98 0.00 0.00 173.24 174.72 3kp2 h ASN 101 N 1.51 0.89 0.10 7.02 -0.00 -1.91 0.62 115.58 123.81 3kp2 h ASN 101 Ca -0.44 0.06 -0.17 0.00 -0.00 0.00 0.00 56.30 55.76 3kp2 h ASN 101 Cb 1.28 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.48 3kp2 h ASN 101 CO 0.76 0.44 -0.60 0.50 -0.00 0.00 0.00 177.43 178.54 3kp2 h LYS 102 N 0.94 0.50 -0.21 6.67 3.64 -1.90 0.41 116.57 126.61 3kp2 h LYS 102 Ca 0.51 -0.34 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 3kp2 h LYS 102 Cb 0.57 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3kp2 h LYS 102 CO -0.29 0.95 -0.65 0.78 -2.27 0.00 0.00 179.45 177.97 3kp2 h GLY 103 N 1.13 0.85 1.35 5.01 0.00 -1.26 -1.78 103.07 108.37 3kp2 h GLY 103 Ca -0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 47.33 46.19 3kp2 h GLY 103 CO 0.11 0.97 0.10 1.70 0.00 0.00 0.00 176.54 179.42 3kp2 h LYS 104 N 0.57 0.81 -0.48 4.80 3.64 0.27 -1.20 116.57 124.99 3kp2 h LYS 104 Ca -0.01 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 3kp2 h LYS 104 Cb 1.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3kp2 h LYS 104 CO 0.13 0.75 0.10 -0.22 -2.27 0.00 0.00 179.45 177.95 3kp2 h LYS 105 N 0.78 0.79 0.31 1.90 3.64 -0.67 -1.82 116.57 121.49 3kp2 h LYS 105 Ca 0.17 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kp2 h LYS 105 Cb 0.33 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kp2 h LYS 105 CO 0.00 0.78 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.89 3kp2 h TYR 106 N 0.66 -0.39 -0.96 1.91 3.20 -0.84 -1.49 116.97 119.06 3kp2 h TYR 106 Ca 0.15 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.14 3kp2 h TYR 106 Cb 0.35 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.67 3kp2 h TYR 106 CO 0.02 -0.24 0.61 0.82 -1.64 0.00 0.00 178.16 177.74 3kp2 h ILE 107 N -0.43 0.90 -0.45 1.81 1.08 -1.15 -0.60 117.51 118.67 3kp2 h ILE 107 Ca -0.04 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 3kp2 h ILE 107 Cb 0.33 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 3kp2 h ILE 107 CO 0.07 0.16 0.17 0.11 -0.69 0.00 0.00 178.15 177.97 3kp2 h LYS 108 N 0.89 0.68 -0.08 2.37 1.57 -0.91 -1.52 116.57 119.58 3kp2 h LYS 108 Ca 0.48 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.08 3kp2 h LYS 108 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3kp2 h LYS 108 CO -0.24 0.64 -0.16 1.49 -0.57 0.00 0.00 179.45 180.61 3kp2 h GLU 109 N 0.59 0.12 -0.08 3.15 4.81 -0.18 -2.17 114.58 120.83 3kp2 h GLU 109 Ca 0.15 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.13 3kp2 h GLU 109 Cb 0.22 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3kp2 h GLU 109 CO -0.01 0.28 -0.85 -0.09 -0.73 0.00 0.00 179.01 177.62 3kp2 h ARG 110 N 0.12 0.63 -0.21 1.92 2.43 -0.82 -2.80 114.38 115.64 3kp2 h ARG 110 Ca 0.02 -0.57 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 3kp2 h ARG 110 Cb 0.35 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3kp2 h ARG 110 CO 0.02 1.18 0.07 0.87 -1.51 0.00 0.00 179.97 180.61 3kp2 h LYS 111 N 0.40 0.31 -0.29 0.20 1.79 -0.81 -1.10 116.57 117.07 3kp2 h LYS 111 Ca -0.07 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.40 3kp2 h LYS 111 Cb 1.47 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 32.02 3kp2 h LYS 111 CO 0.16 0.39 -0.04 0.00 -1.08 0.00 0.00 179.45 178.88 3kp2 h ALA 112 N 0.91 0.23 0.30 3.86 0.00 -1.45 0.59 119.26 123.70 3kp2 h ALA 112 Ca 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kp2 h ALA 112 Cb 0.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kp2 h ALA 112 CO -0.00 -0.44 -0.15 0.82 0.00 0.00 0.00 179.25 179.48 3kp2 h ILE 113 N 0.04 0.73 -0.13 0.00 2.04 -1.34 -2.26 117.51 116.58 3kp2 h ILE 113 Ca 0.14 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3kp2 h ILE 113 Cb 0.20 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3kp2 h ILE 113 CO -0.27 0.06 0.10 0.24 0.00 0.00 0.00 178.15 178.27 3kp2 h MET 114 N -0.55 0.02 -0.12 2.37 2.86 -0.92 -2.77 114.93 115.82 3kp2 h MET 114 Ca -0.04 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 3kp2 h MET 114 Cb 0.41 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3kp2 h MET 114 CO 0.07 0.01 -0.25 0.77 1.06 0.00 0.00 176.91 178.57 3kp2 h SER 115 N 0.02 0.42 0.07 1.22 0.02 0.44 -0.80 113.55 114.94 3kp2 h SER 115 Ca 0.06 -0.57 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3kp2 h SER 115 Cb 0.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3kp2 h SER 115 CO -0.00 0.91 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.82 3kp2 h HIS 116 N -0.05 -0.08 -0.36 3.45 6.17 -1.30 0.54 115.15 123.51 3kp2 h HIS 116 Ca 0.00 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 3kp2 h HIS 116 Cb 0.84 0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.77 3kp2 h HIS 116 CO 0.11 -0.02 0.19 0.82 0.71 0.00 0.00 177.93 179.73 3kp2 h ILE 117 N -0.13 0.99 -0.53 6.26 1.08 -1.53 0.06 117.51 123.71 3kp2 h ILE 117 Ca -0.01 -0.13 -0.11 0.00 -0.39 0.00 0.00 64.86 64.22 3kp2 h ILE 117 Cb 0.10 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 3kp2 h ILE 117 CO 0.02 0.07 -0.11 0.00 -0.69 0.00 0.00 178.15 177.43 3kp2 h ALA 118 N 1.18 0.80 0.11 1.87 0.00 -1.06 -2.89 119.26 119.28 3kp2 h ALA 118 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kp2 h ALA 118 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kp2 h ALA 118 CO -0.10 0.66 -0.05 1.03 0.00 0.00 0.00 179.25 180.79 3kp2 h SER 119 N 0.88 -0.13 0.04 0.00 0.87 -0.57 -2.69 113.55 111.96 3kp2 h SER 119 Ca 0.14 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kp2 h SER 119 Cb 0.67 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3kp2 h SER 119 CO 0.05 0.05 0.00 0.47 -0.53 0.00 0.00 176.83 176.86 3kp2 n ASP 120 N -5.09 0.00 -0.48 6.23 10.43 -0.02 -1.77 116.55 125.85 3kp2 n ASP 120 Ca -0.08 -0.48 0.05 0.00 2.57 0.00 0.00 54.79 56.84 3kp2 n ASP 120 Cb 0.14 -0.04 0.13 0.00 1.84 0.00 0.00 41.12 43.19 3kp2 n ASP 120 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 3kp2 n MET 121 N -1.04 2.85 0.00 -1.24 1.56 -1.03 -4.57 117.12 113.65 3kp2 n MET 121 Ca 0.13 -2.02 0.00 0.00 -0.27 0.00 0.00 57.70 55.54 3kp2 n MET 121 Cb 0.07 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 34.17 3kp2 n MET 121 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 3kp2 n THR 122 N 0.07 0.00 1.38 1.12 5.66 -0.86 -4.90 114.28 116.75 3kp2 n THR 122 Ca 0.10 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.19 3kp2 n THR 122 Cb 0.44 0.39 0.57 0.00 -1.55 0.00 0.00 70.33 70.18 3kp2 n THR 122 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3kp2 n SER 123 N 0.00 0.00 -0.40 1.09 3.41 -0.73 -2.33 113.62 114.66 3kp2 n SER 123 Ca 0.00 -0.78 0.05 0.00 -0.26 0.00 0.00 58.87 57.87 3kp2 n SER 123 Cb 0.46 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 3kp2 n SER 123 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kp2 n ASP 124 N -0.93 1.90 -4.92 4.04 3.85 -1.26 -5.01 116.55 114.22 3kp2 n ASP 124 Ca 0.14 -1.46 -0.26 0.00 -0.71 0.00 0.00 54.79 52.50 3kp2 n ASP 124 Cb 0.07 -0.02 0.03 0.00 -1.35 0.00 0.00 41.12 39.84 3kp2 n ASP 124 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3kp2 s PHE 125 N -0.82 3.25 -0.08 2.11 0.40 -0.98 -5.05 117.98 116.81 3kp2 s PHE 125 Ca 0.12 0.63 -0.23 0.00 -0.60 0.00 0.00 56.93 56.85 3kp2 s PHE 125 Cb 0.08 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 3kp2 s PHE 125 CO 0.12 -0.80 0.67 0.34 0.70 0.00 0.00 175.22 176.25 3kp2 s ASP 126 N -4.30 6.94 0.58 1.36 -1.08 -1.26 -4.92 116.67 113.98 3kp2 s ASP 126 Ca 0.54 1.13 0.33 0.00 -0.52 0.00 0.00 52.55 54.03 3kp2 s ASP 126 Cb -0.10 -2.39 1.78 0.00 -1.46 0.00 0.00 42.92 40.74 3kp2 s ASP 126 CO 0.45 -0.11 2.18 0.77 0.52 0.00 0.00 175.17 178.98 3kp2 h SER 127 N 6.78 0.00 0.81 -0.34 4.64 -1.96 0.19 113.55 123.67 3kp2 h SER 127 Ca -0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 3kp2 h SER 127 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3kp2 h SER 127 CO 0.76 0.05 -0.69 0.50 -0.87 0.00 0.00 176.83 176.58 3kp2 h LYS 128 N 0.00 0.00 -0.01 4.77 3.64 -1.98 -1.28 116.57 121.71 3kp2 h LYS 128 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3kp2 h LYS 128 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3kp2 h LYS 128 CO 0.01 0.69 -0.10 0.93 -2.27 0.00 0.00 179.45 178.71 3kp2 h GLU 129 N 0.00 0.09 -0.77 1.90 5.08 -1.11 -2.86 114.58 116.90 3kp2 h GLU 129 Ca -0.01 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kp2 h GLU 129 Cb 1.28 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 3kp2 h GLU 129 CO 0.09 0.77 0.51 0.82 -1.00 0.00 0.00 179.01 180.20 3kp2 h ILE 130 N -0.57 1.19 0.00 3.13 1.08 -0.95 -2.88 117.51 118.51 3kp2 h ILE 130 Ca -0.01 -0.36 -0.12 0.00 -0.39 0.00 0.00 64.86 63.98 3kp2 h ILE 130 Cb 0.80 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 3kp2 h ILE 130 CO 0.02 0.19 -0.59 -0.33 -0.69 0.00 0.00 178.15 176.75 3kp2 h GLU 131 N 1.04 0.00 0.00 2.37 5.08 -1.27 -0.62 114.58 121.18 3kp2 h GLU 131 Ca 0.28 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 3kp2 h GLU 131 Cb -0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kp2 h GLU 131 CO -0.06 0.59 -0.70 -0.22 -1.00 0.00 0.00 179.01 177.62 3kp2 h LYS 132 N 0.00 0.00 0.00 2.33 1.63 -1.35 -1.25 116.57 117.94 3kp2 h LYS 132 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kp2 h LYS 132 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3kp2 h LYS 132 CO 0.08 0.70 -0.00 0.28 -3.45 0.00 0.00 179.45 177.06 3kp2 h VAL 133 N 0.00 1.33 -0.87 2.00 2.07 -1.32 -1.88 116.25 117.58 3kp2 h VAL 133 Ca -0.01 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.58 3kp2 h VAL 133 Cb 1.32 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 33.03 3kp2 h VAL 133 CO 0.09 0.26 0.54 -0.09 0.02 0.00 0.00 177.57 178.39 3kp2 h ARG 134 N -0.43 0.96 -0.17 1.57 9.65 -1.07 -1.57 114.38 123.32 3kp2 h ARG 134 Ca -0.00 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3kp2 h ARG 134 Cb 0.43 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3kp2 h ARG 134 CO 0.00 0.64 0.10 1.96 2.80 0.00 0.00 179.97 185.47 3kp2 h GLN 135 N 0.99 0.20 -0.81 0.20 4.20 -1.08 0.59 115.11 119.40 3kp2 h GLN 135 Ca 0.38 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.03 3kp2 h GLN 135 Cb 0.17 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3kp2 h GLN 135 CO -0.17 0.13 0.33 0.28 -0.67 0.00 0.00 178.83 178.73 3kp2 h VAL 136 N 0.20 1.26 0.00 -0.54 2.07 -1.02 -2.75 116.25 115.47 3kp2 h VAL 136 Ca 0.06 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 3kp2 h VAL 136 Cb -0.01 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3kp2 h VAL 136 CO -0.03 0.34 -0.50 -0.07 0.02 0.00 0.00 177.57 177.33 3kp2 h LEU 137 N 1.17 0.00 -0.86 2.57 3.38 -0.97 -2.82 115.31 117.78 3kp2 h LEU 137 Ca 0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3kp2 h LEU 137 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kp2 h LEU 137 CO -0.02 0.50 -0.34 -0.33 0.09 0.00 0.00 178.44 178.33 3kp2 h GLU 138 N 0.00 0.44 -0.08 1.13 5.08 -0.60 0.31 114.58 120.86 3kp2 h GLU 138 Ca -0.01 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 3kp2 h GLU 138 Cb 0.97 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3kp2 h GLU 138 CO 0.07 0.73 -0.74 -0.84 -1.00 0.00 0.00 179.01 177.22 3kp2 h ILE 139 N 0.37 1.38 -0.24 3.13 3.07 -1.35 -0.04 117.51 123.82 3kp2 h ILE 139 Ca 0.04 -2.15 -0.12 0.00 1.55 0.00 0.00 64.86 64.17 3kp2 h ILE 139 Cb 0.78 2.13 -0.01 0.00 -0.27 0.00 0.00 36.82 39.44 3kp2 h ILE 139 CO 0.06 0.65 -0.37 0.40 -1.05 0.00 0.00 178.15 177.84 3kp2 h ILE 140 N 0.28 1.29 -0.41 0.16 2.04 -1.24 0.16 117.51 119.80 3kp2 h ILE 140 Ca -0.03 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 64.24 3kp2 h ILE 140 Cb 1.32 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3kp2 h ILE 140 CO 0.13 0.48 -0.02 -0.78 0.00 0.00 0.00 178.15 177.95 3kp2 h ASP 141 N 0.45 0.73 -0.77 1.72 -0.00 -0.16 0.92 116.42 119.30 3kp2 h ASP 141 Ca 0.04 -0.32 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 3kp2 h ASP 141 Cb 0.86 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.33 39.95 3kp2 h ASP 141 CO 0.07 0.88 0.48 0.22 -0.00 0.00 0.00 179.24 180.89 3kp2 h TYR 142 N 0.57 0.99 -0.07 0.28 3.20 -0.63 0.73 116.97 122.04 3kp2 h TYR 142 Ca 0.11 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.81 3kp2 h TYR 142 Cb 0.52 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3kp2 h TYR 142 CO 0.04 0.65 -0.73 0.00 -1.64 0.00 0.00 178.16 176.48 3kp2 h ARG 143 N 1.05 0.39 0.12 1.82 3.08 -0.54 -1.53 114.38 118.76 3kp2 h ARG 143 Ca 0.28 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3kp2 h ARG 143 Cb -0.07 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kp2 h ARG 143 CO -0.06 0.96 -0.06 0.82 -1.07 0.00 0.00 179.97 180.57 3kp2 h ILE 144 N 0.26 0.97 -0.90 2.04 2.04 -0.41 -1.12 117.51 120.39 3kp2 h ILE 144 Ca -0.03 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3kp2 h ILE 144 Cb 1.31 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 3kp2 h ILE 144 CO 0.12 0.08 0.58 1.56 0.00 0.00 0.00 178.15 180.49 3kp2 h GLN 145 N -0.30 0.88 0.00 2.37 4.20 -0.81 -0.39 115.11 121.06 3kp2 h GLN 145 Ca -0.02 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3kp2 h GLN 145 Cb 0.24 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3kp2 h GLN 145 CO 0.03 0.58 -0.22 0.66 -0.67 0.00 0.00 178.83 179.21 3kp2 h SER 146 N 0.91 0.00 0.16 1.46 4.64 -1.11 -3.19 113.55 116.43 3kp2 h SER 146 Ca 0.41 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.44 3kp2 h SER 146 Cb 0.38 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3kp2 h SER 146 CO -0.18 0.22 -1.24 0.22 -0.87 0.00 0.00 176.83 174.99 3kp2 h TYR 147 N 0.00 0.93 0.00 4.77 5.03 -0.22 -3.24 116.97 124.24 3kp2 h TYR 147 Ca -0.00 -0.62 -0.01 0.00 2.58 0.00 0.00 58.73 60.68 3kp2 h TYR 147 Cb 1.13 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 3kp2 h TYR 147 CO 0.00 1.47 -0.03 1.15 -1.32 0.00 0.00 178.16 179.43 3kp2 h THR 148 N 0.12 0.26 -0.46 1.81 2.02 -1.12 -1.67 112.91 113.86 3kp2 h THR 148 Ca -0.20 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 3kp2 h THR 148 Cb 1.94 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 3kp2 h THR 148 CO 0.23 0.03 -0.26 0.77 0.37 0.00 0.00 175.52 176.67 3kp2 h SER 149 N 0.00 1.02 0.96 4.18 4.64 -1.57 -2.30 113.55 120.48 3kp2 h SER 149 Ca -0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3kp2 h SER 149 Cb 0.15 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3kp2 h SER 149 CO 0.00 1.21 0.00 0.11 -0.87 0.00 0.00 176.83 177.28 3kp2 h LYS 150 N 0.83 0.00 0.00 4.77 6.56 -1.42 -3.52 116.57 123.79 3kp2 h LYS 150 Ca 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 3kp2 h LYS 150 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 3kp2 h LYS 150 CO 0.07 0.00 0.00 -0.11 -2.06 0.00 0.00 179.45 177.35