#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp5 n GLU 6 N 0.00 0.00 -0.09 9.51 0.28 -1.26 -4.70 120.64 124.38 3kp5 n GLU 6 Ca 0.00 -0.45 -0.12 0.00 -0.16 0.00 0.00 57.16 56.43 3kp5 n GLU 6 Cb 0.00 -0.19 -0.15 0.00 1.43 0.00 0.00 31.44 32.54 3kp5 n GLU 6 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3kp5 n ASP 7 N 0.01 0.73 -0.04 -1.84 -0.08 -1.26 -3.54 116.55 110.53 3kp5 n ASP 7 Ca -0.01 0.05 -0.11 0.00 -1.51 0.00 0.00 54.79 53.21 3kp5 n ASP 7 Cb 0.59 0.39 0.02 0.00 2.34 0.00 0.00 41.12 44.46 3kp5 n ASP 7 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 3kp5 h HIS 8 N 0.00 0.88 -0.44 -0.67 3.86 -1.98 0.35 115.15 117.15 3kp5 h HIS 8 Ca -0.51 -0.29 -0.08 0.00 -1.16 0.00 0.00 60.37 58.33 3kp5 h HIS 8 Cb 2.12 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 30.40 3kp5 h HIS 8 CO 0.01 1.06 -0.04 0.82 0.86 0.00 0.00 177.93 180.65 3kp5 h ILE 9 N 0.56 1.27 -0.40 2.45 1.08 -1.87 0.23 117.51 120.83 3kp5 h ILE 9 Ca 0.02 -1.11 -0.13 0.00 -0.39 0.00 0.00 64.86 63.26 3kp5 h ILE 9 Cb 1.06 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3kp5 h ILE 9 CO 0.10 0.38 -0.26 0.28 -0.69 0.00 0.00 178.15 177.97 3kp5 h SER 10 N 0.63 0.84 -0.41 1.72 0.02 -1.58 -1.07 113.55 113.71 3kp5 h SER 10 Ca 0.12 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3kp5 h SER 10 Cb 0.55 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3kp5 h SER 10 CO 0.03 1.06 0.15 0.15 -1.14 0.00 0.00 176.83 177.08 3kp5 h PHE 11 N 0.71 0.64 -0.42 3.45 3.57 -0.70 -1.18 116.94 123.02 3kp5 h PHE 11 Ca 0.09 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3kp5 h PHE 11 Cb 0.79 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3kp5 h PHE 11 CO 0.04 0.58 0.12 1.25 -2.23 0.00 0.00 178.31 178.08 3kp5 h LEU 12 N 0.52 0.61 0.24 0.59 5.85 -0.84 0.55 115.31 122.83 3kp5 h LEU 12 Ca 0.14 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kp5 h LEU 12 Cb 0.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3kp5 h LEU 12 CO -0.01 0.66 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.11 3kp5 h GLU 13 N 0.53 -0.59 -0.40 1.25 5.08 -1.04 0.33 114.58 119.74 3kp5 h GLU 13 Ca 0.13 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3kp5 h GLU 13 Cb 0.27 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kp5 h GLU 13 CO -0.00 -0.40 0.26 -0.22 -1.00 0.00 0.00 179.01 177.66 3kp5 h LYS 14 N -0.62 0.46 -0.28 2.33 3.64 -0.93 -0.16 116.57 121.01 3kp5 h LYS 14 Ca 0.00 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3kp5 h LYS 14 Cb 0.59 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3kp5 h LYS 14 CO -0.11 0.31 -0.39 0.35 -2.27 0.00 0.00 179.45 177.34 3kp5 h PHE 15 N 0.48 0.93 -0.35 1.91 3.57 0.75 -1.69 116.94 122.54 3kp5 h PHE 15 Ca 0.15 -0.31 -0.15 0.00 3.53 0.00 0.00 57.97 61.19 3kp5 h PHE 15 Cb 0.04 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3kp5 h PHE 15 CO -0.00 1.09 -0.38 0.82 -2.23 0.00 0.00 178.31 177.61 3kp5 h ILE 16 N 0.50 1.28 -0.37 1.41 2.04 0.30 -1.80 117.51 120.88 3kp5 h ILE 16 Ca 0.03 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.34 3kp5 h ILE 16 Cb 0.98 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 3kp5 h ILE 16 CO 0.09 0.51 0.23 0.78 0.00 0.00 0.00 178.15 179.76 3kp5 h ASN 17 N 0.67 0.37 -0.89 1.72 -0.26 -1.05 -1.59 115.58 114.55 3kp5 h ASN 17 Ca 0.05 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3kp5 h ASN 17 Cb 0.98 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 38.11 3kp5 h ASN 17 CO 0.09 0.27 0.56 0.44 -1.06 0.00 0.00 177.43 177.74 3kp5 h ASP 18 N 0.46 1.05 0.36 5.81 3.32 -1.19 -0.27 116.42 125.97 3kp5 h ASP 18 Ca 0.14 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3kp5 h ASP 18 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3kp5 h ASP 18 CO -0.06 0.79 -0.42 0.58 -1.72 0.00 0.00 179.24 178.41 3kp5 h VAL 19 N 1.23 1.31 -0.08 -1.35 2.07 -0.93 -1.68 116.25 116.83 3kp5 h VAL 19 Ca 0.32 -1.49 -0.22 0.00 0.82 0.00 0.00 66.70 66.14 3kp5 h VAL 19 Cb -0.09 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3kp5 h VAL 19 CO -0.06 0.43 -0.80 0.78 0.02 0.00 0.00 177.57 177.93 3kp5 h ASN 20 N 0.07 0.84 -0.87 0.57 -0.26 -0.46 -1.65 115.58 113.82 3kp5 h ASN 20 Ca 0.00 -0.68 -0.01 0.00 -0.56 0.00 0.00 56.30 55.06 3kp5 h ASN 20 Cb 0.78 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.74 3kp5 h ASN 20 CO 0.06 1.40 0.52 0.74 -1.06 0.00 0.00 177.43 179.09 3kp5 h THR 21 N 0.35 1.24 -0.19 2.81 2.02 -0.88 -0.39 112.91 117.88 3kp5 h THR 21 Ca -0.08 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 3kp5 h THR 21 Cb 1.45 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3kp5 h THR 21 CO 0.16 0.26 -0.21 0.25 0.37 0.00 0.00 175.52 176.35 3kp5 h LEU 22 N 1.20 0.51 -0.67 2.58 5.85 -1.26 -3.08 115.31 120.44 3kp5 h LEU 22 Ca 0.31 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3kp5 h LEU 22 Cb -0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3kp5 h LEU 22 CO -0.06 0.90 0.43 0.74 -0.34 0.00 0.00 178.44 180.11 3kp5 h THR 23 N 0.13 1.18 0.33 1.05 2.02 -1.04 -1.51 112.91 115.07 3kp5 h THR 23 Ca 0.03 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3kp5 h THR 23 Cb 0.76 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3kp5 h THR 23 CO 0.05 0.17 -0.41 0.00 0.37 0.00 0.00 175.52 175.71 3kp5 h ALA 24 N 1.23 -0.85 -0.14 6.16 0.00 -1.10 -0.83 119.26 123.73 3kp5 h ALA 24 Ca 0.24 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3kp5 h ALA 24 Cb -0.08 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kp5 h ALA 24 CO -0.05 -1.03 -0.04 0.87 0.00 0.00 0.00 179.25 179.01 3kp5 h LYS 25 N -0.78 -0.00 0.00 0.00 1.57 -1.43 -1.13 116.57 114.80 3kp5 h LYS 25 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3kp5 h LYS 25 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3kp5 h LYS 25 CO -0.11 -0.00 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.63 3kp5 h LEU 26 N -0.00 0.00 -2.30 2.94 3.38 -1.19 -2.69 115.31 115.45 3kp5 h LEU 26 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kp5 h LEU 26 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kp5 h LEU 26 CO -0.15 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.63 3kp5 n LEU 27 N -3.93 3.33 -0.11 1.67 4.77 -0.32 -4.62 117.00 117.79 3kp5 n LEU 27 Ca -0.03 -1.48 -0.05 0.00 -0.03 0.00 0.00 56.01 54.42 3kp5 n LEU 27 Cb 0.16 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3kp5 n LEU 27 CO 0.30 0.71 0.87 0.50 -1.33 0.00 0.00 177.39 178.45 3kp5 h LYS 28 N 4.18 0.14 0.72 3.23 1.63 -0.87 -2.29 116.57 123.31 3kp5 h LYS 28 Ca 0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3kp5 h LYS 28 Cb 0.94 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.55 3kp5 h LYS 28 CO 0.00 0.09 -0.35 -0.44 -3.45 0.00 0.00 179.45 175.30 3kp5 h ASP 29 N 0.14 -0.82 -0.82 4.20 5.19 -1.81 -1.72 116.42 120.78 3kp5 h ASP 29 Ca 0.18 0.01 0.20 0.00 -0.62 0.00 0.00 57.03 56.80 3kp5 h ASP 29 Cb 0.23 0.21 -0.13 0.00 0.18 0.00 0.00 39.33 39.82 3kp5 h ASP 29 CO -0.27 -0.47 0.20 0.25 -3.12 0.00 0.00 179.24 175.84 3kp5 h LEU 30 N -1.19 -0.01 -0.06 1.55 5.85 -1.86 0.50 115.31 120.09 3kp5 h LEU 30 Ca -0.10 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kp5 h LEU 30 Cb 0.76 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kp5 h LEU 30 CO 0.16 -0.10 0.04 1.56 -0.34 0.00 0.00 178.44 179.76 3kp5 h GLN 31 N 0.24 0.08 -0.60 1.25 4.20 -1.40 -1.47 115.11 117.40 3kp5 h GLN 31 Ca 0.49 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 3kp5 h GLN 31 Cb 0.92 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 3kp5 h GLN 31 CO -0.59 0.06 0.38 1.15 -0.67 0.00 0.00 178.83 179.15 3kp5 h THR 32 N 0.07 1.16 -0.20 -0.54 2.02 0.30 -1.31 112.91 114.42 3kp5 h THR 32 Ca 0.02 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 66.94 3kp5 h THR 32 Cb -0.00 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3kp5 h THR 32 CO -0.00 0.16 0.15 -0.08 0.37 0.00 0.00 175.52 176.12 3kp5 h GLU 33 N 0.81 0.00 -0.02 6.66 4.81 0.21 -2.03 114.58 125.01 3kp5 h GLU 33 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3kp5 h GLU 33 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3kp5 h GLU 33 CO -0.04 0.00 -0.08 0.66 -0.73 0.00 0.00 179.01 178.82 3kp5 n TYR 34 N -4.36 0.00 -0.07 0.92 4.02 -0.57 -4.92 117.16 112.18 3kp5 n TYR 34 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3kp5 n TYR 34 Cb 0.29 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3kp5 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp5 n GLY 35 N 1.31 2.75 3.74 2.72 0.00 -0.76 -4.97 105.19 109.97 3kp5 n GLY 35 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3kp5 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kp5 s ILE 36 N -3.00 2.32 0.33 -0.61 1.01 -0.74 -4.98 121.20 115.53 3kp5 s ILE 36 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.93 3kp5 s ILE 36 Cb 0.00 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3kp5 s ILE 36 CO 0.00 -0.04 0.23 -0.94 0.00 0.00 0.00 174.94 174.19 3kp5 s SER 37 N -1.47 5.12 0.08 3.58 1.04 -1.26 -4.37 113.70 116.43 3kp5 s SER 37 Ca 0.80 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 3kp5 s SER 37 Cb -0.34 -0.94 -0.13 0.00 0.10 0.00 0.00 66.02 64.70 3kp5 s SER 37 CO 0.37 -0.30 1.47 0.00 0.98 0.00 0.00 173.24 175.76 3kp5 h ALA 38 N 1.37 -1.01 -0.84 5.32 0.00 -1.97 0.96 119.26 123.09 3kp5 h ALA 38 Ca -0.45 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.50 3kp5 h ALA 38 Cb 1.25 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 3kp5 h ALA 38 CO 0.60 -1.08 0.55 1.05 0.00 0.00 0.00 179.25 180.37 3kp5 h GLU 39 N -0.75 0.48 -0.25 0.00 9.09 -1.99 0.19 114.58 121.36 3kp5 h GLU 39 Ca -0.03 -0.03 -0.14 0.00 0.05 0.00 0.00 59.36 59.21 3kp5 h GLU 39 Cb 0.69 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.67 3kp5 h GLU 39 CO -0.15 0.32 -0.44 1.96 0.05 0.00 0.00 179.01 180.75 3kp5 h GLN 40 N 0.50 0.62 -0.52 1.06 4.20 -1.79 -0.71 115.11 118.46 3kp5 h GLN 40 Ca 0.43 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3kp5 h GLN 40 Cb 0.91 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 3kp5 h GLN 40 CO -0.16 0.94 0.32 1.03 -0.67 0.00 0.00 178.83 180.28 3kp5 h SER 41 N 0.50 0.63 0.59 1.46 0.87 0.18 -0.42 113.55 117.36 3kp5 h SER 41 Ca 0.04 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3kp5 h SER 41 Cb 0.96 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3kp5 h SER 41 CO 0.09 0.50 -0.28 -0.74 -0.53 0.00 0.00 176.83 175.87 3kp5 h HIS 42 N 0.70 -0.73 -0.94 2.24 -0.00 -0.58 -1.34 115.15 114.51 3kp5 h HIS 42 Ca 0.19 -0.02 0.24 0.00 -0.00 0.00 0.00 60.37 60.78 3kp5 h HIS 42 Cb -0.02 0.24 -0.13 0.00 -0.00 0.00 0.00 27.41 27.51 3kp5 h HIS 42 CO -0.03 -0.42 0.47 0.28 -0.00 0.00 0.00 177.93 178.23 3kp5 h VAL 43 N -0.87 0.48 0.00 5.26 2.07 -0.88 1.80 116.25 124.10 3kp5 h VAL 43 Ca -0.08 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3kp5 h VAL 43 Cb 0.63 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3kp5 h VAL 43 CO 0.13 0.08 -0.06 -0.07 0.02 0.00 0.00 177.57 177.67 3kp5 h LEU 44 N 0.45 0.00 0.00 2.57 3.38 -0.62 0.43 115.31 121.52 3kp5 h LEU 44 Ca 0.60 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.21 3kp5 h LEU 44 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3kp5 h LEU 44 CO -0.52 0.06 -2.27 -3.20 0.09 0.00 0.00 178.44 172.60 3kp5 n ASN 45 N -3.32 0.23 -0.00 -0.43 5.15 0.32 -3.30 115.26 113.91 3kp5 n ASN 45 Ca -0.01 0.07 -0.04 0.00 -0.60 0.00 0.00 54.58 54.00 3kp5 n ASN 45 Cb 0.23 0.76 0.19 0.00 -0.53 0.00 0.00 39.78 40.42 3kp5 n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 3kp5 h MET 46 N 0.00 0.53 -0.00 1.20 4.05 0.27 -0.94 114.93 120.04 3kp5 h MET 46 Ca -0.50 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 58.72 3kp5 h MET 46 Cb 2.20 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.96 3kp5 h MET 46 CO 0.03 0.72 -0.01 1.28 0.23 0.00 0.00 176.91 179.17 3kp5 n LEU 47 N -4.13 0.30 0.15 3.39 4.77 0.15 -3.14 117.00 118.49 3kp5 n LEU 47 Ca -0.00 -0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.05 3kp5 n LEU 47 Cb 0.40 -0.04 0.43 0.00 -2.33 0.00 0.00 43.42 41.88 3kp5 n LEU 47 CO 0.42 0.05 0.88 -1.28 -1.33 0.00 0.00 177.39 176.13 3kp5 h SER 48 N 0.46 0.00 0.00 -1.43 0.87 -1.15 -3.31 113.55 108.99 3kp5 h SER 48 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 3kp5 h SER 48 Cb 0.14 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 3kp5 h SER 48 CO 0.00 0.00 -2.34 2.30 -0.53 0.00 0.00 176.83 176.26 3kp5 n ILE 49 N -2.49 1.34 -3.74 2.23 -5.35 -1.19 -5.02 119.36 105.15 3kp5 n ILE 49 Ca 0.04 -0.56 -0.13 0.00 -0.27 0.00 0.00 62.75 61.82 3kp5 n ILE 49 Cb 0.37 -1.20 -0.09 0.00 -1.74 0.00 0.00 39.64 36.98 3kp5 n ILE 49 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3kp5 s GLU 50 N -2.47 0.56 0.21 6.28 -1.05 -1.25 -5.13 118.70 115.85 3kp5 s GLU 50 Ca -0.28 0.27 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 3kp5 s GLU 50 Cb 0.08 0.26 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 3kp5 s GLU 50 CO 0.58 -0.11 1.44 0.00 0.95 0.00 0.00 175.26 178.12 3kp5 s ALA 51 N -0.40 3.64 0.19 -0.84 0.00 -1.26 -4.53 121.76 118.56 3kp5 s ALA 51 Ca -0.05 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.22 3kp5 s ALA 51 Cb -0.03 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3kp5 s ALA 51 CO 0.02 -0.70 -0.05 -0.51 0.00 0.00 0.00 175.76 174.52 3kp5 s LEU 52 N 0.16 2.35 0.19 0.00 1.43 -1.07 -4.75 118.68 116.98 3kp5 s LEU 52 Ca 0.62 -1.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3kp5 s LEU 52 Cb -0.41 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 3kp5 s LEU 52 CO 0.38 -0.42 0.08 -0.89 0.23 0.00 0.00 176.35 175.73 3kp5 s THR 53 N -3.37 4.12 0.30 5.49 2.01 -1.26 -2.42 115.64 120.49 3kp5 s THR 53 Ca 0.23 -1.33 0.06 0.00 0.31 0.00 0.00 61.69 60.97 3kp5 s THR 53 Cb 0.04 -3.12 0.37 0.00 0.01 0.00 0.00 72.50 69.80 3kp5 s THR 53 CO 0.05 -0.17 1.42 0.52 -0.69 0.00 0.00 174.62 175.76 3kp5 n VAL 54 N -0.44 -0.38 -0.02 3.82 0.31 -1.26 -0.59 118.33 119.77 3kp5 n VAL 54 Ca -0.09 1.96 -0.11 0.00 -0.01 0.00 0.00 64.34 66.09 3kp5 n VAL 54 Cb 0.56 -2.94 -0.05 0.00 -0.91 0.00 0.00 33.84 30.50 3kp5 n VAL 54 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kp5 h GLY 55 N 0.00 0.18 0.85 2.92 0.00 -1.98 -1.18 103.07 103.86 3kp5 h GLY 55 Ca 0.61 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.89 3kp5 h GLY 55 CO -0.81 0.08 0.42 1.46 0.00 0.00 0.00 176.54 177.69 3kp5 h GLN 56 N 0.08 0.80 0.00 4.80 4.20 -1.24 0.35 115.11 124.10 3kp5 h GLN 56 Ca 0.04 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3kp5 h GLN 56 Cb 0.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kp5 h GLN 56 CO -0.01 0.53 -0.29 0.82 -0.67 0.00 0.00 178.83 179.22 3kp5 h ILE 57 N 0.83 1.08 0.08 2.54 2.04 -1.34 -0.48 117.51 122.25 3kp5 h ILE 57 Ca 0.28 -1.03 -0.17 0.00 1.00 0.00 0.00 64.86 64.94 3kp5 h ILE 57 Cb 0.04 1.58 0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3kp5 h ILE 57 CO -0.11 0.28 -0.72 0.74 0.00 0.00 0.00 178.15 178.33 3kp5 h THR 58 N 0.00 1.47 0.95 -0.27 2.02 0.12 -3.12 112.91 114.08 3kp5 h THR 58 Ca -0.00 -2.33 -0.05 0.00 0.77 0.00 0.00 66.41 64.80 3kp5 h THR 58 Cb 0.55 2.93 0.01 0.00 -1.74 0.00 0.00 68.15 69.90 3kp5 h THR 58 CO 0.04 0.67 -0.46 -0.33 0.37 0.00 0.00 175.52 175.81 3kp5 h GLU 59 N -0.25 -1.23 0.00 6.66 5.08 -0.22 0.10 114.58 124.73 3kp5 h GLU 59 Ca -0.11 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kp5 h GLU 59 Cb 1.50 0.28 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3kp5 h GLU 59 CO 0.14 -0.82 0.00 1.63 -1.00 0.00 0.00 179.01 178.96 3kp5 n LYS 60 N -5.56 0.03 0.00 2.33 5.02 -0.20 -2.84 118.16 116.94 3kp5 n LYS 60 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3kp5 n LYS 60 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3kp5 n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3kp5 n GLN 61 N -0.72 3.31 0.00 1.97 7.27 -0.82 -5.04 117.38 123.36 3kp5 n GLN 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3kp5 n GLN 61 Cb 0.00 -0.65 0.00 0.00 2.41 0.00 0.00 30.24 32.00 3kp5 n GLN 61 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kp5 n GLY 62 N 1.02 2.75 3.80 1.69 0.00 0.30 -5.02 105.19 109.72 3kp5 n GLY 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kp5 n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kp5 s VAL 63 N -1.05 3.75 0.18 1.61 -7.23 -1.26 -4.99 120.40 111.41 3kp5 s VAL 63 Ca 0.00 0.94 -0.32 0.00 -1.81 0.00 0.00 61.98 60.79 3kp5 s VAL 63 Cb 0.00 -3.40 -0.12 0.00 0.56 0.00 0.00 36.38 33.43 3kp5 s VAL 63 CO 0.00 -0.38 1.77 -3.20 -0.31 0.00 0.00 175.10 172.98 3kp5 n ASN 64 N -1.59 4.02 -0.44 4.85 4.05 -1.26 -4.83 115.26 120.06 3kp5 n ASN 64 Ca 0.09 1.03 0.38 0.00 0.45 0.00 0.00 54.58 56.54 3kp5 n ASN 64 Cb 0.53 -1.56 0.65 0.00 1.23 0.00 0.00 39.78 40.62 3kp5 n ASN 64 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 3kp5 n LYS 65 N 4.60 -0.04 0.11 1.20 4.81 -1.26 -1.04 118.16 126.55 3kp5 n LYS 65 Ca 0.17 1.24 -0.16 0.00 -0.87 0.00 0.00 58.31 58.68 3kp5 n LYS 65 Cb 0.36 -2.41 -0.10 0.00 0.02 0.00 0.00 35.03 32.90 3kp5 n LYS 65 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kp5 h ALA 66 N 1.60 -1.00 -0.59 3.14 0.00 -2.00 -0.54 119.26 119.87 3kp5 h ALA 66 Ca 0.85 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.72 3kp5 h ALA 66 Cb 2.70 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 21.32 3kp5 h ALA 66 CO -0.49 -1.12 0.27 0.00 0.00 0.00 0.00 179.25 177.91 3kp5 h ALA 67 N -0.57 0.77 0.00 0.00 0.00 -1.46 -1.76 119.26 116.24 3kp5 h ALA 67 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kp5 h ALA 67 Cb 0.75 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kp5 h ALA 67 CO -0.28 -0.11 -0.08 0.28 0.00 0.00 0.00 179.25 179.07 3kp5 h VAL 68 N 0.50 0.73 0.20 0.00 2.07 -1.36 -2.64 116.25 115.75 3kp5 h VAL 68 Ca 0.28 -0.31 -0.33 0.00 0.82 0.00 0.00 66.70 67.17 3kp5 h VAL 68 Cb 0.26 1.18 0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3kp5 h VAL 68 CO -0.23 0.08 -1.50 0.28 0.02 0.00 0.00 177.57 176.21 3kp5 h SER 69 N 0.00 0.67 -0.33 0.57 0.02 -0.27 -2.98 113.55 111.23 3kp5 h SER 69 Ca -0.00 -0.79 0.03 0.00 -0.84 0.00 0.00 61.79 60.19 3kp5 h SER 69 Cb 0.18 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3kp5 h SER 69 CO 0.01 1.63 0.14 -0.09 -1.14 0.00 0.00 176.83 177.38 3kp5 h ARG 70 N 0.12 0.28 0.00 3.45 2.43 -1.02 -2.17 114.38 117.46 3kp5 h ARG 70 Ca -0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3kp5 h ARG 70 Cb 2.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 3kp5 h ARG 70 CO 0.23 0.19 0.00 0.54 -1.51 0.00 0.00 179.97 179.42 3kp5 n ARG 71 N -4.99 0.07 0.01 0.20 1.74 -1.11 -3.66 116.66 108.92 3kp5 n ARG 71 Ca 0.00 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 57.00 3kp5 n ARG 71 Cb 0.10 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 3kp5 n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3kp5 h VAL 72 N 0.00 0.76 -0.50 1.55 3.04 -1.23 -3.30 116.25 116.56 3kp5 h VAL 72 Ca 0.00 -2.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.19 3kp5 h VAL 72 Cb 0.37 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 3kp5 h VAL 72 CO 0.00 0.76 0.00 0.29 -1.01 0.00 0.00 177.57 177.61 3kp5 n LYS 73 N -3.35 2.86 -0.06 4.17 5.02 -1.12 -3.19 118.16 122.50 3kp5 n LYS 73 Ca -0.25 -2.09 -0.04 0.00 -2.02 0.00 0.00 58.31 53.90 3kp5 n LYS 73 Cb 1.05 -1.66 -0.15 0.00 -0.02 0.00 0.00 35.03 34.25 3kp5 n LYS 73 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kp5 n LYS 74 N 0.86 0.67 0.11 1.97 5.02 -1.24 -3.16 118.16 122.38 3kp5 n LYS 74 Ca 0.19 0.02 0.02 0.00 -2.02 0.00 0.00 58.31 56.52 3kp5 n LYS 74 Cb 0.64 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 3kp5 n LYS 74 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kp5 h LEU 75 N 0.00 0.00 0.04 -0.35 3.38 -1.63 -2.01 115.31 114.74 3kp5 h LEU 75 Ca -0.36 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.44 3kp5 h LEU 75 Cb 1.89 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.66 3kp5 h LEU 75 CO 0.03 0.49 -0.66 -0.07 0.09 0.00 0.00 178.44 178.32 3kp5 h LEU 76 N 0.00 0.51 -2.06 1.67 3.38 -1.70 0.12 115.31 117.23 3kp5 h LEU 76 Ca -0.05 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.11 3kp5 h LEU 76 Cb 1.42 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kp5 h LEU 76 CO 0.05 1.27 0.02 -1.13 0.09 0.00 0.00 178.44 178.74 3kp5 h ASN 77 N -0.19 0.00 -0.09 -0.43 -0.73 -1.57 -0.68 115.58 111.89 3kp5 h ASN 77 Ca -0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.08 3kp5 h ASN 77 Cb 1.40 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.99 3kp5 h ASN 77 CO 0.13 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.19 3kp5 n ALA 78 N -2.52 2.52 -3.98 1.57 0.00 -0.76 -4.94 120.51 112.40 3kp5 n ALA 78 Ca -0.02 -0.58 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 3kp5 n ALA 78 Cb 0.12 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.55 3kp5 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp5 n GLU 79 N 0.64 -4.85 -0.01 0.00 1.02 -0.26 -4.83 120.64 112.35 3kp5 n GLU 79 Ca 0.17 0.54 0.08 0.00 -0.02 0.00 0.00 57.16 57.93 3kp5 n GLU 79 Cb 0.44 -5.34 -0.12 0.00 -0.02 0.00 0.00 31.44 26.40 3kp5 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp5 n LEU 80 N -4.58 0.14 -4.06 -4.62 4.77 0.37 -4.32 117.00 104.70 3kp5 n LEU 80 Ca 0.01 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 3kp5 n LEU 80 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3kp5 n LEU 80 CO 0.78 0.03 -0.24 0.54 -1.33 0.00 0.00 177.39 177.17 3kp5 s VAL 81 N -3.03 0.13 0.03 4.08 0.11 -1.00 -2.83 120.40 117.89 3kp5 s VAL 81 Ca -0.04 -1.70 -0.13 0.00 -2.93 0.00 0.00 61.98 57.18 3kp5 s VAL 81 Cb 0.11 -1.77 0.02 0.00 -1.53 0.00 0.00 36.38 33.21 3kp5 s VAL 81 CO 0.68 -0.61 0.29 -1.59 -3.33 0.00 0.00 175.10 170.54 3kp5 s LYS 82 N -3.97 0.77 0.17 1.54 -2.85 -0.67 -4.38 119.74 110.34 3kp5 s LYS 82 Ca 0.16 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.36 3kp5 s LYS 82 Cb 0.07 0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3kp5 s LYS 82 CO -0.04 -0.24 1.00 -0.51 0.10 0.00 0.00 175.35 175.66 3kp5 s LEU 83 N -1.94 4.54 0.04 2.77 1.43 -1.26 -1.05 118.68 123.21 3kp5 s LEU 83 Ca -0.06 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3kp5 s LEU 83 Cb -0.02 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3kp5 s LEU 83 CO -0.02 -0.04 0.00 1.21 0.23 0.00 0.00 176.35 177.72 3kp5 n GLU 84 N 2.23 -0.29 -4.39 1.70 2.13 -1.26 -4.88 120.64 115.88 3kp5 n GLU 84 Ca 0.01 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.70 3kp5 n GLU 84 Cb 0.48 -0.55 -0.10 0.00 0.27 0.00 0.00 31.44 31.54 3kp5 n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3kp5 s LYS 95 N -1.98 2.79 0.00 5.31 0.00 -1.26 -5.03 119.74 119.58 3kp5 s LYS 95 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 55.97 55.40 3kp5 s LYS 95 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 37.83 35.17 3kp5 s LYS 95 CO 0.00 0.65 0.00 0.44 0.00 0.00 0.00 175.35 176.44 3kp5 n ILE 96 N 1.74 0.00 -3.73 3.79 -6.64 -1.26 -4.99 119.36 108.27 3kp5 n ILE 96 Ca -0.16 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.53 3kp5 n ILE 96 Cb 0.53 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.57 3kp5 n ILE 96 CO 0.00 0.00 0.00 0.27 -1.77 0.00 0.00 176.55 175.05 3kp5 s ILE 97 N -2.21 0.68 0.00 7.28 -0.00 -1.02 -4.07 121.20 121.87 3kp5 s ILE 97 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 60.65 59.69 3kp5 s ILE 97 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 42.46 41.13 3kp5 s ILE 97 CO 0.00 -0.44 0.00 0.29 -0.00 0.00 0.00 174.94 174.79 3kp5 n LYS 98 N 4.96 1.15 -4.35 0.37 5.02 -0.21 -2.61 118.16 122.49 3kp5 n LYS 98 Ca -0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.98 3kp5 n LYS 98 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.37 3kp5 n LYS 98 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kp5 s LEU 99 N 0.00 2.92 0.24 -0.35 1.43 -1.26 -1.68 118.68 119.98 3kp5 s LEU 99 Ca 0.00 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 3kp5 s LEU 99 Cb 0.00 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3kp5 s LEU 99 CO 0.00 0.05 0.00 -0.94 0.23 0.00 0.00 176.35 175.69 3kp5 s SER 100 N -3.33 4.61 0.26 2.29 1.04 -1.13 -4.71 113.70 112.73 3kp5 s SER 100 Ca 0.28 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 3kp5 s SER 100 Cb -0.07 -0.89 0.43 0.00 0.10 0.00 0.00 66.02 65.59 3kp5 s SER 100 CO 0.17 0.02 1.59 0.78 0.98 0.00 0.00 173.24 176.78 3kp5 h ASN 101 N 2.08 -0.66 -0.21 7.02 2.35 -1.89 2.68 115.58 126.94 3kp5 h ASN 101 Ca -0.45 0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3kp5 h ASN 101 Cb 1.24 0.48 -0.01 0.00 0.05 0.00 0.00 38.32 40.08 3kp5 h ASN 101 CO 0.59 -0.27 0.11 0.11 -1.65 0.00 0.00 177.43 176.33 3kp5 h LYS 102 N 0.02 0.33 -0.23 0.81 1.57 -1.90 1.08 116.57 118.26 3kp5 h LYS 102 Ca 0.43 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 59.02 3kp5 h LYS 102 Cb 0.73 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3kp5 h LYS 102 CO -0.84 0.27 -0.54 0.78 -0.57 0.00 0.00 179.45 178.55 3kp5 h GLY 103 N 0.44 0.74 0.53 3.86 0.00 0.41 -2.49 103.07 106.56 3kp5 h GLY 103 Ca 0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 3kp5 h GLY 103 CO -0.01 0.77 -0.14 0.50 0.00 0.00 0.00 176.54 177.65 3kp5 h LYS 104 N 0.52 -0.39 -1.11 4.80 1.57 0.33 -2.76 116.57 119.54 3kp5 h LYS 104 Ca 0.01 0.03 0.33 0.00 -1.87 0.00 0.00 60.65 59.15 3kp5 h LYS 104 Cb 1.10 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 33.38 3kp5 h LYS 104 CO 0.11 -0.05 0.69 0.87 -0.57 0.00 0.00 179.45 180.50 3kp5 h LYS 105 N -0.88 0.28 0.59 3.15 1.57 0.11 0.95 116.57 122.34 3kp5 h LYS 105 Ca -0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3kp5 h LYS 105 Cb 0.52 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.77 3kp5 h LYS 105 CO 0.07 0.18 -0.28 -0.92 -0.57 0.00 0.00 179.45 177.93 3kp5 h TYR 106 N 0.29 -0.73 -0.97 -1.35 3.20 -1.34 -0.94 116.97 115.13 3kp5 h TYR 106 Ca 0.71 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.75 3kp5 h TYR 106 Cb 1.87 0.24 -0.11 0.00 1.54 0.00 0.00 36.73 40.27 3kp5 h TYR 106 CO -0.01 -0.45 0.56 0.82 -1.64 0.00 0.00 178.16 177.45 3kp5 h ILE 107 N -0.80 0.68 0.32 1.81 5.03 0.11 0.22 117.51 124.89 3kp5 h ILE 107 Ca -0.08 -0.24 -0.02 0.00 -0.12 0.00 0.00 64.86 64.40 3kp5 h ILE 107 Cb 0.61 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 3kp5 h ILE 107 CO 0.13 0.13 -0.15 0.11 -0.68 0.00 0.00 178.15 177.69 3kp5 h LYS 108 N 0.70 -0.42 -0.08 2.37 1.57 -0.73 0.20 116.57 120.18 3kp5 h LYS 108 Ca 0.56 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.39 3kp5 h LYS 108 Cb 0.88 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3kp5 h LYS 108 CO -0.40 -0.20 0.06 0.93 -0.57 0.00 0.00 179.45 179.28 3kp5 h GLU 109 N -0.55 0.00 -0.02 3.15 5.08 -0.02 -0.48 114.58 121.74 3kp5 h GLU 109 Ca -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3kp5 h GLU 109 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3kp5 h GLU 109 CO 0.07 0.00 -0.25 -0.09 -1.00 0.00 0.00 179.01 177.75 3kp5 h ARG 110 N 0.00 0.20 -0.97 2.33 2.43 0.14 -2.89 114.38 115.63 3kp5 h ARG 110 Ca 0.04 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3kp5 h ARG 110 Cb 0.17 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 3kp5 h ARG 110 CO -0.00 0.89 0.63 0.87 -1.51 0.00 0.00 179.97 180.85 3kp5 h LYS 111 N -0.42 1.16 -0.79 0.20 1.57 -0.09 -1.53 116.57 116.67 3kp5 h LYS 111 Ca -0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3kp5 h LYS 111 Cb 0.96 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3kp5 h LYS 111 CO 0.05 0.77 0.48 0.00 -0.57 0.00 0.00 179.45 180.18 3kp5 h ALA 112 N 1.41 1.00 -0.09 3.86 0.00 -1.12 0.31 119.26 124.63 3kp5 h ALA 112 Ca 0.40 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 3kp5 h ALA 112 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kp5 h ALA 112 CO -0.14 0.46 -0.70 0.82 0.00 0.00 0.00 179.25 179.69 3kp5 h ILE 113 N 1.08 1.37 0.07 0.00 2.04 -1.26 -3.04 117.51 117.77 3kp5 h ILE 113 Ca 0.28 -2.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 3kp5 h ILE 113 Cb -0.06 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3kp5 h ILE 113 CO -0.05 0.63 -0.04 0.24 0.00 0.00 0.00 178.15 178.93 3kp5 h MET 114 N 0.28 -0.10 0.00 2.37 2.86 -0.68 -3.23 114.93 116.43 3kp5 h MET 114 Ca -0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kp5 h MET 114 Cb 1.26 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.94 3kp5 h MET 114 CO 0.12 0.34 0.00 -1.13 1.06 0.00 0.00 176.91 177.30 3kp5 n SER 115 N -4.92 0.72 0.08 1.22 3.41 0.10 -1.03 113.62 113.20 3kp5 n SER 115 Ca -0.08 0.67 -0.07 0.00 -0.26 0.00 0.00 58.87 59.12 3kp5 n SER 115 Cb 0.25 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 3kp5 n SER 115 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3kp5 h HIS 116 N 0.00 0.09 0.12 7.33 6.17 -1.55 -2.00 115.15 125.30 3kp5 h HIS 116 Ca 0.00 -0.06 -0.36 0.00 0.71 0.00 0.00 60.37 60.67 3kp5 h HIS 116 Cb 0.39 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 3kp5 h HIS 116 CO 0.00 0.95 -1.96 -0.84 0.71 0.00 0.00 177.93 176.80 3kp5 h ILE 117 N 0.02 0.66 -0.71 6.26 3.07 -1.55 -3.15 117.51 122.11 3kp5 h ILE 117 Ca -0.03 -2.38 0.10 0.00 1.55 0.00 0.00 64.86 64.10 3kp5 h ILE 117 Cb 1.63 2.52 -0.07 0.00 -0.27 0.00 0.00 36.82 40.62 3kp5 h ILE 117 CO 0.13 0.87 0.34 0.00 -1.05 0.00 0.00 178.15 178.44 3kp5 h ALA 118 N 0.16 0.98 0.71 0.16 0.00 -1.17 -1.86 119.26 118.24 3kp5 h ALA 118 Ca -0.41 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3kp5 h ALA 118 Cb 2.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3kp5 h ALA 118 CO 0.09 -0.08 -0.48 1.03 0.00 0.00 0.00 179.25 179.81 3kp5 h SER 119 N 0.57 -1.25 0.00 0.00 0.87 -1.47 -3.17 113.55 109.09 3kp5 h SER 119 Ca 0.35 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3kp5 h SER 119 Cb 0.40 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3kp5 h SER 119 CO -0.29 -0.72 0.00 0.47 -0.53 0.00 0.00 176.83 175.77 3kp5 n ASP 120 N -5.48 0.00 -0.18 6.23 8.00 -0.73 -0.73 116.55 123.66 3kp5 n ASP 120 Ca -0.14 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3kp5 n ASP 120 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3kp5 n ASP 120 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 3kp5 n MET 121 N -0.80 0.00 0.00 -1.24 0.00 -1.04 -1.74 117.12 112.29 3kp5 n MET 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3kp5 n MET 121 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.22 3kp5 n MET 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3kp5 n THR 122 N -0.13 0.06 0.29 3.17 -2.24 0.09 -4.85 114.28 110.67 3kp5 n THR 122 Ca 0.00 -0.06 0.17 0.00 -2.27 0.00 0.00 64.05 61.89 3kp5 n THR 122 Cb 0.00 0.99 0.82 0.00 -2.10 0.00 0.00 70.33 70.04 3kp5 n THR 122 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kp5 h SER 123 N 0.00 0.00 -0.44 3.42 4.64 -0.64 -2.64 113.55 117.89 3kp5 h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kp5 h SER 123 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3kp5 h SER 123 CO 0.00 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.10 3kp5 n ASP 124 N -3.22 4.76 -4.90 4.97 5.75 -1.26 -5.00 116.55 117.66 3kp5 n ASP 124 Ca -0.01 -2.90 -0.28 0.00 -0.01 0.00 0.00 54.79 51.59 3kp5 n ASP 124 Cb 0.24 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 3kp5 n ASP 124 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kp5 s PHE 125 N -2.67 3.55 -0.36 2.11 2.99 -1.00 -5.06 117.98 117.54 3kp5 s PHE 125 Ca 0.48 0.85 -0.14 0.00 0.00 0.00 0.00 56.93 58.12 3kp5 s PHE 125 Cb 0.37 -2.32 -0.00 0.00 0.00 0.00 0.00 43.02 41.06 3kp5 s PHE 125 CO 0.14 -0.24 0.29 0.34 -0.00 0.00 0.00 175.22 175.74 3kp5 s ASP 126 N -3.93 6.10 0.42 1.36 -1.08 -1.26 -4.98 116.67 113.29 3kp5 s ASP 126 Ca 0.48 -0.54 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 3kp5 s ASP 126 Cb -0.10 -2.16 1.22 0.00 -1.46 0.00 0.00 42.92 40.41 3kp5 s ASP 126 CO 0.42 -0.33 1.73 0.77 0.52 0.00 0.00 175.17 178.29 3kp5 h SER 127 N 8.54 0.37 -0.19 -0.34 4.64 -1.97 -0.46 113.55 124.13 3kp5 h SER 127 Ca -0.30 0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 60.92 3kp5 h SER 127 Cb 1.14 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3kp5 h SER 127 CO 0.68 0.01 -0.66 0.11 -0.87 0.00 0.00 176.83 176.09 3kp5 h LYS 128 N 0.29 0.79 -0.59 4.77 1.79 -1.99 -0.79 116.57 120.83 3kp5 h LYS 128 Ca 0.65 -0.59 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 3kp5 h LYS 128 Cb 1.84 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.57 3kp5 h LYS 128 CO -0.32 1.21 -0.03 0.93 -1.08 0.00 0.00 179.45 180.16 3kp5 h GLU 129 N 0.53 1.06 -0.64 3.15 5.08 -1.55 -2.68 114.58 119.54 3kp5 h GLU 129 Ca -0.03 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 3kp5 h GLU 129 Cb 1.29 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3kp5 h GLU 129 CO 0.14 1.06 0.12 0.82 -1.00 0.00 0.00 179.01 180.15 3kp5 h ILE 130 N 0.96 1.26 0.17 3.13 1.08 -1.23 -2.64 117.51 120.23 3kp5 h ILE 130 Ca 0.16 -0.98 0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3kp5 h ILE 130 Cb 0.60 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3kp5 h ILE 130 CO 0.04 0.37 -0.31 -0.33 -0.69 0.00 0.00 178.15 177.23 3kp5 h GLU 131 N 0.97 -0.54 -0.90 2.37 5.08 -0.88 -0.21 114.58 120.48 3kp5 h GLU 131 Ca 0.20 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3kp5 h GLU 131 Cb 0.40 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 3kp5 h GLU 131 CO 0.01 -0.36 0.58 -0.22 -1.00 0.00 0.00 179.01 178.02 3kp5 h LYS 132 N -0.56 1.08 -0.11 2.33 3.64 -1.43 -1.68 116.57 119.85 3kp5 h LYS 132 Ca 0.02 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3kp5 h LYS 132 Cb 0.57 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3kp5 h LYS 132 CO -0.15 0.72 -0.08 0.28 -2.27 0.00 0.00 179.45 177.94 3kp5 h VAL 133 N 1.12 0.76 -0.81 2.00 2.07 -1.08 -2.26 116.25 118.04 3kp5 h VAL 133 Ca 0.36 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.89 3kp5 h VAL 133 Cb 0.02 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3kp5 h VAL 133 CO -0.12 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 177.91 3kp5 h ARG 134 N -0.09 1.05 -0.66 1.57 2.43 -0.51 -1.96 114.38 116.22 3kp5 h ARG 134 Ca 0.07 -0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 3kp5 h ARG 134 Cb 0.19 -0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 29.42 3kp5 h ARG 134 CO -0.16 0.70 0.19 1.96 -1.51 0.00 0.00 179.97 181.14 3kp5 h GLN 135 N 1.08 0.31 0.01 0.20 4.20 -0.76 0.94 115.11 121.09 3kp5 h GLN 135 Ca 0.30 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3kp5 h GLN 135 Cb -0.10 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3kp5 h GLN 135 CO -0.07 0.20 -0.00 0.28 -0.67 0.00 0.00 178.83 178.57 3kp5 h VAL 136 N 0.32 1.09 -0.39 -0.54 2.07 -0.98 -1.38 116.25 116.43 3kp5 h VAL 136 Ca 0.35 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kp5 h VAL 136 Cb 0.53 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3kp5 h VAL 136 CO -0.41 0.07 0.21 -0.07 0.02 0.00 0.00 177.57 177.39 3kp5 h LEU 137 N -0.13 0.50 -0.83 2.57 3.38 -0.40 0.30 115.31 120.68 3kp5 h LEU 137 Ca -0.00 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kp5 h LEU 137 Cb 0.13 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3kp5 h LEU 137 CO 0.00 0.45 0.47 -0.33 0.09 0.00 0.00 178.44 179.13 3kp5 h GLU 138 N 0.50 0.76 -0.20 1.13 5.08 0.92 0.80 114.58 123.57 3kp5 h GLU 138 Ca 0.14 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3kp5 h GLU 138 Cb 0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3kp5 h GLU 138 CO -0.02 0.50 -0.24 0.82 -1.00 0.00 0.00 179.01 179.07 3kp5 h ILE 139 N 0.78 1.25 0.04 3.13 2.04 -0.50 0.10 117.51 124.36 3kp5 h ILE 139 Ca 0.41 -1.19 -0.22 0.00 1.00 0.00 0.00 64.86 64.85 3kp5 h ILE 139 Cb 0.40 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3kp5 h ILE 139 CO -0.26 0.37 -1.03 0.40 0.00 0.00 0.00 178.15 177.64 3kp5 h ILE 140 N 0.34 1.60 0.01 -0.67 2.04 0.39 -2.83 117.51 118.38 3kp5 h ILE 140 Ca 0.05 -3.10 -0.00 0.00 1.00 0.00 0.00 64.86 62.81 3kp5 h ILE 140 Cb 0.62 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 3kp5 h ILE 140 CO 0.04 0.89 -0.00 -0.78 0.00 0.00 0.00 178.15 178.30 3kp5 h ASP 141 N 0.04 -0.01 -0.70 1.72 3.58 0.11 0.43 116.42 121.60 3kp5 h ASP 141 Ca -0.05 -0.13 0.15 0.00 0.42 0.00 0.00 57.03 57.42 3kp5 h ASP 141 Cb 1.74 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.69 3kp5 h ASP 141 CO 0.15 0.12 0.11 0.22 -2.88 0.00 0.00 179.24 176.96 3kp5 h TYR 142 N -0.14 0.15 -0.05 0.28 3.20 -0.84 -0.45 116.97 119.12 3kp5 h TYR 142 Ca -0.00 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3kp5 h TYR 142 Cb 0.13 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3kp5 h TYR 142 CO -0.03 -0.13 -0.55 0.00 -1.64 0.00 0.00 178.16 175.81 3kp5 h ARG 143 N 0.21 0.16 -0.23 1.82 3.08 -1.20 -2.36 114.38 115.85 3kp5 h ARG 143 Ca 0.39 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 3kp5 h ARG 143 Cb 0.65 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3kp5 h ARG 143 CO -0.53 0.67 0.00 0.82 -1.07 0.00 0.00 179.97 179.87 3kp5 h ILE 144 N 0.12 1.25 -0.27 2.04 2.04 0.64 -1.72 117.51 121.61 3kp5 h ILE 144 Ca -0.00 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3kp5 h ILE 144 Cb 1.02 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3kp5 h ILE 144 CO 0.08 0.27 0.16 1.56 0.00 0.00 0.00 178.15 180.23 3kp5 h GLN 145 N 0.19 0.36 -0.44 2.37 4.20 -1.22 -2.01 115.11 118.56 3kp5 h GLN 145 Ca 0.07 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.82 3kp5 h GLN 145 Cb 0.40 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 3kp5 h GLN 145 CO 0.01 0.28 0.06 1.03 -0.67 0.00 0.00 178.83 179.54 3kp5 h SER 146 N 0.34 -0.06 -0.05 1.46 0.87 -1.29 -1.35 113.55 113.48 3kp5 h SER 146 Ca 0.10 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3kp5 h SER 146 Cb 0.01 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kp5 h SER 146 CO -0.02 0.00 -0.19 0.22 -0.53 0.00 0.00 176.83 176.32 3kp5 h TYR 147 N 0.18 0.45 0.00 2.24 3.20 -1.18 -2.82 116.97 119.05 3kp5 h TYR 147 Ca 0.22 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3kp5 h TYR 147 Cb 0.29 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3kp5 h TYR 147 CO -0.24 0.59 -0.07 1.15 -1.64 0.00 0.00 178.16 177.96 3kp5 h THR 148 N 0.38 0.26 -0.47 1.81 2.02 -0.49 -3.14 112.91 113.28 3kp5 h THR 148 Ca 0.07 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3kp5 h THR 148 Cb 0.55 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3kp5 h THR 148 CO 0.04 0.06 0.07 0.28 0.37 0.00 0.00 175.52 176.35 3kp5 h SER 149 N 0.00 0.76 0.00 4.18 0.02 -1.18 -3.38 113.55 113.95 3kp5 h SER 149 Ca -0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3kp5 h SER 149 Cb 0.36 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kp5 h SER 149 CO 0.01 0.83 0.00 0.29 -1.14 0.00 0.00 176.83 176.81 3kp5 n LYS 150 N -4.44 0.00 0.00 3.45 5.02 -1.19 -5.16 118.16 115.85 3kp5 n LYS 150 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3kp5 n LYS 150 Cb 0.25 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 3kp5 n LYS 150 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35