#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp h ILE 2 N 0.00 0.00 -3.15 2.02 3.07 -2.13 -3.46 117.51 113.86 2kkp h ILE 2 Ca 0.00 -0.70 -0.61 0.00 1.55 0.00 0.00 64.86 65.10 2kkp h ILE 2 Cb 0.00 1.32 -0.11 0.00 -0.27 0.00 0.00 36.82 37.76 2kkp h ILE 2 CO 0.00 0.00 -0.49 -1.83 -1.05 0.00 0.00 178.15 174.78 2kkp s GLU 3 N -3.23 4.03 -0.32 0.16 1.03 -1.26 -5.03 118.70 114.09 2kkp s GLU 3 Ca 0.04 -0.21 -0.28 0.00 0.03 0.00 0.00 54.97 54.56 2kkp s GLU 3 Cb 0.11 -3.37 -0.05 0.00 -0.80 0.00 0.00 34.13 30.03 2kkp s GLU 3 CO 0.73 0.39 2.17 -2.14 -1.33 0.00 0.00 175.26 175.08 2kkp s PRO 4 N 0.09 2.90 0.00 -4.83 0.02 -1.26 -4.82 135.00 127.11 2kkp s PRO 4 Ca 0.09 1.70 0.22 0.00 0.02 0.00 0.00 61.00 63.03 2kkp s PRO 4 Cb -0.11 -4.39 -0.05 0.00 0.02 0.00 0.00 34.50 29.97 2kkp s PRO 4 CO -0.01 -2.37 1.03 -1.13 -0.33 0.00 0.00 177.00 174.20 2kkp n SER 5 N 12.47 1.14 0.02 2.53 3.41 -1.26 -4.12 113.62 127.81 2kkp n SER 5 Ca 0.30 -1.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.00 2kkp n SER 5 Cb 0.48 0.77 0.41 0.00 -0.26 0.00 0.00 64.21 65.60 2kkp n SER 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kkp n LYS 6 N -1.18 0.04 -1.76 4.33 3.00 -1.26 -4.66 118.16 116.67 2kkp n LYS 6 Ca 0.06 0.22 -0.37 0.00 -0.00 0.00 0.00 58.31 58.21 2kkp n LYS 6 Cb 0.36 -1.57 -0.03 0.00 0.00 0.00 0.00 35.03 33.79 2kkp n LYS 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kkp s ILE 7 N -3.05 3.16 0.53 3.15 1.01 -1.26 -4.89 121.20 119.85 2kkp s ILE 7 Ca 0.08 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.87 2kkp s ILE 7 Cb 0.12 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2kkp s ILE 7 CO 0.36 -0.38 0.28 -0.89 0.00 0.00 0.00 174.94 174.30 2kkp s THR 8 N 10.73 1.52 0.11 2.92 2.01 -1.26 -2.60 115.64 129.06 2kkp s THR 8 Ca 0.85 -1.65 -0.27 0.00 0.31 0.00 0.00 61.69 60.93 2kkp s THR 8 Cb -0.16 -2.17 -0.10 0.00 0.01 0.00 0.00 72.50 70.09 2kkp s THR 8 CO 0.24 0.00 1.65 0.58 -0.69 0.00 0.00 174.62 176.40 2kkp h VAL 9 N 0.95 0.50 0.00 3.82 2.07 -1.79 -2.28 116.25 119.52 2kkp h VAL 9 Ca -0.39 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2kkp h VAL 9 Cb 1.31 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2kkp h VAL 9 CO 0.63 0.00 -0.11 1.05 0.02 0.00 0.00 177.57 179.15 2kkp h GLU 10 N -0.44 0.00 0.30 1.57 -0.00 -1.92 -0.75 114.58 113.35 2kkp h GLU 10 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 2kkp h GLU 10 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 2kkp h GLU 10 CO -0.11 0.11 -0.15 0.37 -0.00 0.00 0.00 179.01 179.24 2kkp h GLN 11 N 0.00 -0.39 -0.19 1.06 -0.00 -1.77 -1.33 115.11 112.48 2kkp h GLN 11 Ca -0.00 0.03 -0.17 0.00 -0.00 0.00 0.00 58.65 58.51 2kkp h GLN 11 Cb 0.45 0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.01 2kkp h GLN 11 CO 0.01 -0.15 -0.57 2.35 0.00 0.00 0.00 178.83 180.47 2kkp h TRP 12 N -0.58 0.77 -0.15 3.99 7.01 -1.02 -2.67 115.95 123.30 2kkp h TRP 12 Ca -0.04 -0.28 -0.04 0.00 2.11 0.00 0.00 58.89 60.64 2kkp h TRP 12 Cb 0.42 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2kkp h TRP 12 CO -0.01 1.04 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.53 2kkp h LEU 13 N 0.46 0.21 -0.45 0.65 -0.00 -1.15 0.44 115.31 115.47 2kkp h LEU 13 Ca 0.00 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 2kkp h LEU 13 Cb 1.13 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 2kkp h LEU 13 CO 0.11 0.32 -0.13 -1.13 -0.00 0.00 0.00 178.44 177.61 2kkp h ASN 14 N 0.22 0.89 -0.34 -0.43 -1.24 -1.01 0.25 115.58 113.94 2kkp h ASN 14 Ca 0.05 -0.37 -0.03 0.00 0.71 0.00 0.00 56.30 56.66 2kkp h ASN 14 Cb 0.28 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2kkp h ASN 14 CO 0.01 1.06 0.09 0.03 -1.29 0.00 0.00 177.43 177.33 2kkp h ARG 15 N 0.72 0.54 0.01 6.67 3.08 -0.98 -1.57 114.38 122.84 2kkp h ARG 15 Ca 0.11 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2kkp h ARG 15 Cb 0.68 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 2kkp h ARG 15 CO 0.05 0.59 -0.52 2.35 -1.07 0.00 0.00 179.97 181.36 2kkp h TRP 16 N 0.39 -1.53 -0.93 3.04 7.01 -0.00 -1.09 115.95 122.83 2kkp h TRP 16 Ca 0.11 0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.25 2kkp h TRP 16 Cb 0.29 0.67 -0.07 0.00 -2.10 0.00 0.00 29.16 27.95 2kkp h TRP 16 CO 0.01 -0.57 0.57 1.25 -2.79 0.00 0.00 178.44 176.92 2kkp h LEU 17 N -0.67 0.86 -0.19 0.65 5.85 -0.88 0.36 115.31 121.30 2kkp h LEU 17 Ca 0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2kkp h LEU 17 Cb 0.72 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2kkp h LEU 17 CO -0.35 0.50 -0.02 0.74 -0.34 0.00 0.00 178.44 178.98 2kkp h THR 18 N 0.97 1.27 0.14 1.05 2.02 -0.82 -2.85 112.91 114.70 2kkp h THR 18 Ca 0.43 -0.92 -0.35 0.00 0.77 0.00 0.00 66.41 66.34 2kkp h THR 18 Cb 0.33 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2kkp h THR 18 CO -0.23 0.28 -1.87 0.44 0.37 0.00 0.00 175.52 174.51 2kkp h ASP 19 N 0.08 0.48 1.59 4.18 3.32 -0.86 -3.35 116.42 121.86 2kkp h ASP 19 Ca 0.05 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.21 2kkp h ASP 19 Cb 0.42 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2kkp h ASP 19 CO 0.01 1.78 0.00 1.88 -1.72 0.00 0.00 179.24 181.19 2kkp h TYR 20 N 0.08 0.00 -0.02 4.55 -1.99 -0.42 -3.17 116.97 116.01 2kkp h TYR 20 Ca -0.38 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.27 2kkp h TYR 20 Cb 2.06 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.80 2kkp h TYR 20 CO 0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 178.16 177.93 2kkp h ALA 21 N 2.19 0.06 -5.37 3.88 0.00 -1.64 -3.50 119.26 114.88 2kkp h ALA 21 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2kkp h ALA 21 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kkp h ALA 21 CO 0.00 0.14 -0.90 1.17 0.00 0.00 0.00 179.25 179.67 2kkp n LYS 22 N -4.45 -2.84 -1.87 0.00 0.00 -1.20 -4.80 118.16 103.00 2kkp n LYS 22 Ca -0.09 2.37 -0.40 0.00 0.00 0.00 0.00 58.31 60.18 2kkp n LYS 22 Cb 0.52 -4.82 -0.03 0.00 0.00 0.00 0.00 35.03 30.70 2kkp n LYS 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kkp s PRO 23 N -1.82 2.83 0.00 1.64 0.04 -1.26 -4.12 135.00 132.31 2kkp s PRO 23 Ca 0.07 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2kkp s PRO 23 Cb -0.02 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2kkp s PRO 23 CO 0.70 -2.46 0.00 1.58 0.04 0.00 0.00 177.00 176.85 2kkp n HIS 24 N 12.42 -0.36 -3.45 0.56 -0.00 -1.26 -5.06 115.22 118.07 2kkp n HIS 24 Ca 0.26 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 58.01 2kkp n HIS 24 Cb 0.50 0.07 -0.08 0.00 -0.12 0.00 0.00 29.99 30.36 2kkp n HIS 24 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kkp s LEU 25 N -2.76 5.58 -0.39 0.27 1.43 -1.26 -5.05 118.68 116.50 2kkp s LEU 25 Ca 0.00 -1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 51.47 2kkp s LEU 25 Cb 0.00 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2kkp s LEU 25 CO 0.00 -0.65 0.39 -0.13 0.23 0.00 0.00 176.35 176.19 2kkp s ARG 26 N 1.56 3.28 -0.28 1.70 0.52 -1.26 -5.02 118.95 119.45 2kkp s ARG 26 Ca 0.04 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.46 2kkp s ARG 26 Cb -0.25 -3.90 0.09 0.00 0.52 0.00 0.00 34.95 31.42 2kkp s ARG 26 CO 0.04 -0.70 0.70 -1.14 0.02 0.00 0.00 175.30 174.22 2kkp s GLN 27 N 2.04 0.67 -0.24 3.54 0.74 -1.26 -5.13 119.66 120.02 2kkp s GLN 27 Ca 0.11 1.25 -0.25 0.00 0.05 0.00 0.00 55.36 56.53 2kkp s GLN 27 Cb -0.17 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.23 2kkp s GLN 27 CO 0.12 -0.16 0.83 -1.12 -0.55 0.00 0.00 175.29 174.42 2kkp s SER 28 N 1.89 6.84 -0.01 6.67 0.01 -1.26 -4.93 113.70 122.92 2kkp s SER 28 Ca -0.09 1.04 0.21 0.00 1.31 0.00 0.00 55.95 58.42 2kkp s SER 28 Cb -0.06 -2.44 0.62 0.00 0.21 0.00 0.00 66.02 64.35 2kkp s SER 28 CO -0.20 -0.51 1.52 0.41 0.41 0.00 0.00 173.24 174.88 2kkp n THR 29 N 5.23 1.01 -3.53 1.44 -1.04 -1.26 -4.91 114.28 111.22 2kkp n THR 29 Ca 0.05 -0.95 -0.24 0.00 -2.04 0.00 0.00 64.05 60.88 2kkp n THR 29 Cb 0.48 0.43 0.08 0.00 -1.82 0.00 0.00 70.33 69.49 2kkp n THR 29 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2kkp n TRP 30 N 1.49 -2.79 -2.45 -1.42 8.01 -1.26 -4.89 117.44 114.13 2kkp n TRP 30 Ca 0.23 0.96 -0.43 0.00 -1.31 0.00 0.00 57.50 56.96 2kkp n TRP 30 Cb 0.61 -4.98 -0.02 0.00 -2.01 0.00 0.00 31.31 24.92 2kkp n TRP 30 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.69 174.85 2kkp s GLU 31 N -6.25 3.61 0.32 -0.99 1.03 -1.26 -4.88 118.70 110.28 2kkp s GLU 31 Ca 0.56 0.74 0.04 0.00 0.03 0.00 0.00 54.97 56.34 2kkp s GLU 31 Cb -0.25 -3.99 0.55 0.00 -0.80 0.00 0.00 34.13 29.64 2kkp s GLU 31 CO 0.69 -1.53 1.82 0.77 -1.33 0.00 0.00 175.26 175.68 2kkp h SER 32 N 10.15 0.45 -0.97 0.83 0.02 -2.01 -2.80 113.55 119.23 2kkp h SER 32 Ca -0.26 -0.11 0.17 0.00 -0.84 0.00 0.00 61.79 60.75 2kkp h SER 32 Cb 1.09 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.42 2kkp h SER 32 CO 1.11 0.60 0.61 1.88 -1.14 0.00 0.00 176.83 179.90 2kkp h TYR 33 N 0.43 0.95 0.05 3.45 -1.99 -1.99 0.91 116.97 118.79 2kkp h TYR 33 Ca 0.08 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 2kkp h TYR 33 Cb 0.47 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.91 2kkp h TYR 33 CO 0.01 0.27 -0.03 1.49 -0.00 0.00 0.00 178.16 179.91 2kkp h GLU 34 N 0.73 -0.07 0.12 4.88 4.22 -1.91 -2.71 114.58 119.84 2kkp h GLU 34 Ca 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.96 2kkp h GLU 34 Cb 0.85 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kkp h GLU 34 CO -0.30 0.31 -0.06 1.15 -2.18 0.00 0.00 179.01 177.93 2kkp h THR 35 N -0.46 1.06 -0.20 0.32 2.02 -1.41 -3.10 112.91 111.14 2kkp h THR 35 Ca -0.01 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 2kkp h THR 35 Cb 0.41 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2kkp h THR 35 CO 0.01 0.20 -0.26 -0.37 0.37 0.00 0.00 175.52 175.48 2kkp h VAL 36 N -0.57 1.26 0.60 3.16 -1.51 -0.96 -2.49 116.25 115.73 2kkp h VAL 36 Ca -0.02 -1.22 -0.03 0.00 -1.23 0.00 0.00 66.70 64.21 2kkp h VAL 36 Cb 0.45 1.39 0.01 0.00 -2.13 0.00 0.00 31.29 31.01 2kkp h VAL 36 CO 0.03 0.38 -0.29 0.25 -1.23 0.00 0.00 177.57 176.71 2kkp h LEU 37 N 0.34 -0.69 -0.59 4.19 5.85 -1.55 -2.47 115.31 120.39 2kkp h LEU 37 Ca 0.05 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2kkp h LEU 37 Cb 0.63 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 2kkp h LEU 37 CO 0.05 -0.39 0.21 0.08 -0.34 0.00 0.00 178.44 178.05 2kkp h ARG 38 N -1.02 0.37 -0.65 1.25 0.11 -1.55 0.87 114.38 113.77 2kkp h ARG 38 Ca -0.08 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 2kkp h ARG 38 Cb 0.62 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.59 2kkp h ARG 38 CO 0.14 0.25 0.11 1.25 0.10 0.00 0.00 179.97 181.82 2kkp h LEU 39 N 0.38 1.01 0.00 0.08 5.85 -1.48 -3.03 115.31 118.12 2kkp h LEU 39 Ca 0.30 -0.23 -0.38 0.00 0.84 0.00 0.00 57.88 58.40 2kkp h LEU 39 Cb 0.37 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2kkp h LEU 39 CO -0.31 1.00 -2.44 1.41 -0.34 0.00 0.00 178.44 177.76 2kkp n HIS 40 N -4.22 0.00 -0.02 1.25 8.25 -0.93 -4.68 115.22 114.87 2kkp n HIS 40 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 2kkp n HIS 40 Cb 0.28 -0.97 -0.14 0.00 1.12 0.00 0.00 29.99 30.28 2kkp n HIS 40 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2kkp n VAL 41 N -3.31 1.64 -0.04 1.59 0.24 0.27 -4.38 118.33 114.34 2kkp n VAL 41 Ca -0.45 -0.76 -0.12 0.00 -2.04 0.00 0.00 64.34 60.96 2kkp n VAL 41 Cb 0.97 -1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.08 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2kkp h ILE 42 N 0.02 1.29 -0.80 1.34 2.04 -1.59 0.23 117.51 120.03 2kkp h ILE 42 Ca -0.34 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 64.65 2kkp h ILE 42 Cb 2.03 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 39.74 2kkp h ILE 42 CO 0.08 0.27 0.49 1.55 0.00 0.00 0.00 178.15 180.53 2kkp h PRO 43 N -0.10 0.87 0.00 2.37 0.13 -1.77 -2.39 132.00 131.10 2kkp h PRO 43 Ca 0.03 -0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.78 2kkp h PRO 43 Cb 0.43 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.31 2kkp h PRO 43 CO 0.01 0.57 -2.12 -2.37 -0.23 0.00 0.00 178.00 173.86 2kkp n THR 44 N -4.67 1.11 0.03 1.56 5.66 -1.22 -4.64 114.28 112.11 2kkp n THR 44 Ca 0.11 -0.33 -0.10 0.00 -3.05 0.00 0.00 64.05 60.68 2kkp n THR 44 Cb 0.17 -1.56 -0.13 0.00 -1.55 0.00 0.00 70.33 67.26 2kkp n THR 44 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2kkp h LEU 45 N -0.47 0.08 -0.46 1.09 7.12 -0.81 -3.27 115.31 118.60 2kkp h LEU 45 Ca -0.48 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.41 2kkp h LEU 45 Cb 1.53 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.63 2kkp h LEU 45 CO -0.22 1.10 0.00 0.61 -0.13 0.00 0.00 178.44 179.79 2kkp n GLY 46 N 1.49 0.11 0.52 3.75 0.00 0.12 -1.75 105.19 109.42 2kkp n GLY 46 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2kkp n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkp n SER 47 N -0.21 2.04 -4.34 1.61 7.64 -1.23 -4.30 113.62 114.82 2kkp n SER 47 Ca 0.00 -1.52 -0.34 0.00 1.01 0.00 0.00 58.87 58.02 2kkp n SER 47 Cb 0.08 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.22 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kkp s ILE 48 N -1.25 3.19 0.49 0.44 1.01 -0.72 -5.03 121.20 119.33 2kkp s ILE 48 Ca 0.15 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 2kkp s ILE 48 Cb 0.11 -2.39 -0.08 0.00 0.01 0.00 0.00 42.46 40.11 2kkp s ILE 48 CO 0.20 0.48 1.14 -2.65 0.00 0.00 0.00 174.94 174.11 2kkp n PRO 49 N 4.10 1.47 0.24 2.79 -0.02 -1.26 -3.69 135.00 138.63 2kkp n PRO 49 Ca -0.18 0.54 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 2kkp n PRO 49 Cb 0.52 -2.27 0.58 0.00 -0.02 0.00 0.00 33.50 32.30 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kkp h LEU 50 N 1.42 0.00 -0.65 2.45 3.38 -1.77 0.22 115.31 120.36 2kkp h LEU 50 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2kkp h LEU 50 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2kkp h LEU 50 CO 0.56 0.10 0.00 0.29 0.09 0.00 0.00 178.44 179.49 2kkp n LYS 51 N -4.37 1.42 0.00 1.13 4.76 -1.26 -3.27 118.16 116.57 2kkp n LYS 51 Ca -0.03 -0.64 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 2kkp n LYS 51 Cb 0.18 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2kkp n LYS 52 N -0.10 1.09 -2.78 1.97 4.81 -0.02 -5.05 118.16 118.09 2kkp n LYS 52 Ca 0.13 -0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 56.30 2kkp n LYS 52 Cb 0.20 -0.71 -0.03 0.00 0.02 0.00 0.00 35.03 34.51 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kkp s LEU 53 N -0.38 4.15 0.25 3.14 1.98 -0.69 -4.85 118.68 122.28 2kkp s LEU 53 Ca 0.00 1.29 0.08 0.00 -2.89 0.00 0.00 54.13 52.62 2kkp s LEU 53 Cb 0.00 -3.39 -0.05 0.00 0.66 0.00 0.00 46.19 43.41 2kkp s LEU 53 CO 0.00 -0.51 -0.12 -1.10 -1.89 0.00 0.00 176.35 172.73 2kkp s GLN 54 N 2.53 1.48 0.54 1.98 -1.52 -1.26 -4.95 119.66 118.46 2kkp s GLN 54 Ca 0.42 -1.70 0.26 0.00 -1.95 0.00 0.00 55.36 52.39 2kkp s GLN 54 Cb -0.16 -1.26 1.43 0.00 -0.22 0.00 0.00 33.01 32.79 2kkp s GLN 54 CO 0.11 0.16 1.99 -1.35 -0.25 0.00 0.00 175.29 175.95 2kkp h PRO 55 N 2.40 0.00 -0.33 2.91 0.11 -1.91 -0.37 132.00 134.81 2kkp h PRO 55 Ca -0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 2kkp h PRO 55 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2kkp h PRO 55 CO 0.64 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.25 2kkp h ALA 56 N 1.70 1.07 -0.26 -0.75 0.00 -1.92 -1.36 119.26 117.75 2kkp h ALA 56 Ca 0.25 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2kkp h ALA 56 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2kkp h ALA 56 CO -0.00 0.57 -0.41 -0.44 0.00 0.00 0.00 179.25 178.96 2kkp h ASP 57 N 0.55 0.66 0.06 0.00 3.32 -1.47 -1.43 116.42 118.11 2kkp h ASP 57 Ca 0.09 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 2kkp h ASP 57 Cb 0.61 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2kkp h ASP 57 CO 0.04 0.99 -0.42 0.40 -1.72 0.00 0.00 179.24 178.53 2kkp h ILE 58 N 0.51 1.31 -0.86 0.35 2.04 -1.30 -1.70 117.51 117.86 2kkp h ILE 58 Ca 0.04 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2kkp h ILE 58 Cb 0.93 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 2kkp h ILE 58 CO 0.08 0.49 0.55 -0.61 0.00 0.00 0.00 178.15 178.66 2kkp h GLN 59 N 0.37 1.14 -0.99 2.37 -0.00 -0.88 -2.11 115.11 115.01 2kkp h GLN 59 Ca 0.03 -0.08 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2kkp h GLN 59 Cb 0.89 -0.25 -0.05 0.00 0.00 0.00 0.00 27.48 28.07 2kkp h GLN 59 CO 0.08 0.78 0.66 -0.09 0.00 0.00 0.00 178.83 180.25 2kkp h ARG 60 N 1.17 1.30 0.39 1.69 2.43 -0.72 0.19 114.38 120.82 2kkp h ARG 60 Ca 0.31 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2kkp h ARG 60 Cb -0.10 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 29.13 2kkp h ARG 60 CO -0.06 0.86 -0.49 1.25 -1.51 0.00 0.00 179.97 180.01 2kkp h LEU 61 N 1.34 -1.39 -0.49 3.80 6.46 -0.68 0.32 115.31 124.66 2kkp h LEU 61 Ca 0.36 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.23 2kkp h LEU 61 Cb -0.15 0.47 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2kkp h LEU 61 CO -0.08 -0.61 0.26 1.88 -0.62 0.00 0.00 178.44 179.26 2kkp h TYR 62 N -0.90 0.69 -0.54 1.25 0.05 -1.12 -2.54 116.97 113.86 2kkp h TYR 62 Ca -0.05 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2kkp h TYR 62 Cb 0.81 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 2kkp h TYR 62 CO -0.30 0.53 0.30 0.00 -1.05 0.00 0.00 178.16 177.64 2kkp h ALA 63 N 1.10 0.69 -0.75 3.88 0.00 -0.54 0.40 119.26 124.04 2kkp h ALA 63 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kkp h ALA 63 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2kkp h ALA 63 CO -0.03 0.20 0.26 1.03 0.00 0.00 0.00 179.25 180.72 2kkp h SER 64 N 0.72 1.07 0.82 0.00 0.87 -0.75 -2.34 113.55 113.95 2kkp h SER 64 Ca 0.19 -0.19 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2kkp h SER 64 Cb 0.03 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 2kkp h SER 64 CO -0.03 0.98 -1.27 0.11 -0.53 0.00 0.00 176.83 176.09 2kkp h LYS 65 N 1.11 0.00 -0.15 2.24 1.79 -1.22 -3.26 116.57 117.09 2kkp h LYS 65 Ca 0.25 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.66 2kkp h LYS 65 Cb 0.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2kkp h LYS 65 CO -0.01 0.31 -0.17 1.25 -1.08 0.00 0.00 179.45 179.74 2kkp h LEU 66 N 0.00 0.23 -2.10 2.94 5.85 -0.09 -0.74 115.31 121.41 2kkp h LEU 66 Ca -0.13 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kkp h LEU 66 Cb 1.53 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2kkp h LEU 66 CO 0.05 0.43 0.00 -0.08 -0.34 0.00 0.00 178.44 178.49 2kkp h GLU 67 N 0.23 0.00 -0.00 1.25 4.81 -1.46 -0.77 114.58 118.64 2kkp h GLU 67 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2kkp h GLU 67 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2kkp h GLU 67 CO 0.03 0.00 -0.34 0.45 -0.73 0.00 0.00 179.01 178.41 2kkp n SER 68 N -2.80 0.78 0.00 1.04 2.88 -0.29 -4.94 113.62 110.29 2kkp n SER 68 Ca -0.01 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 2kkp n SER 68 Cb 0.12 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2kkp n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkp n GLY 69 N 1.40 0.81 3.87 0.46 0.00 -0.30 -5.11 105.19 106.32 2kkp n GLY 69 Ca 0.10 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2kkp n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkp s LEU 70 N 0.00 4.39 0.64 0.99 1.43 -1.20 -5.02 118.68 119.90 2kkp s LEU 70 Ca 0.00 0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 2kkp s LEU 70 Cb 0.00 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2kkp s LEU 70 CO 0.00 0.39 1.06 -0.44 0.23 0.00 0.00 176.35 177.58 2kkp s SER 71 N -0.94 5.60 0.19 2.29 0.01 -1.26 -4.88 113.70 114.72 2kkp s SER 71 Ca 0.15 1.73 -0.11 0.00 1.31 0.00 0.00 55.95 59.03 2kkp s SER 71 Cb -0.12 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.80 2kkp s SER 71 CO 0.05 -1.29 1.75 -0.65 0.41 0.00 0.00 173.24 173.51 2kkp h PRO 72 N -0.06 0.40 0.00 12.44 0.11 -1.99 -0.74 132.00 142.15 2kkp h PRO 72 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2kkp h PRO 72 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2kkp h PRO 72 CO 0.57 0.26 -0.37 1.79 -0.21 0.00 0.00 178.00 180.05 2kkp h THR 73 N 0.41 1.15 0.07 -1.15 1.35 -1.98 0.68 112.91 113.44 2kkp h THR 73 Ca 0.27 -1.31 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2kkp h THR 73 Cb 0.28 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2kkp h THR 73 CO -0.25 0.36 -0.03 0.03 -0.25 0.00 0.00 175.52 175.38 2kkp h ARG 74 N 0.00 -0.09 -0.90 4.72 2.47 -1.59 0.13 114.38 119.12 2kkp h ARG 74 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kkp h ARG 74 Cb 0.70 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.00 2kkp h ARG 74 CO 0.05 0.18 0.56 0.28 0.56 0.00 0.00 179.97 181.60 2kkp h VAL 75 N -0.36 1.24 -0.31 2.04 2.07 -0.96 -1.23 116.25 118.74 2kkp h VAL 75 Ca -0.01 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.07 2kkp h VAL 75 Cb 0.31 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 2kkp h VAL 75 CO 0.02 0.24 0.06 -0.09 0.02 0.00 0.00 177.57 177.81 2kkp h ARG 76 N 1.22 0.16 -0.54 1.57 2.43 -0.69 0.59 114.38 119.12 2kkp h ARG 76 Ca 0.32 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2kkp h ARG 76 Cb -0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2kkp h ARG 76 CO -0.07 0.11 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.55 2kkp h TYR 77 N 0.17 1.04 -0.42 2.20 3.20 -0.26 -1.15 116.97 121.75 2kkp h TYR 77 Ca 0.15 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2kkp h TYR 77 Cb 0.16 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2kkp h TYR 77 CO -0.18 0.95 0.05 0.82 -1.64 0.00 0.00 178.16 178.16 2kkp h ILE 78 N 0.87 1.21 -0.62 1.81 2.04 -0.88 0.44 117.51 122.38 2kkp h ILE 78 Ca 0.15 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 2kkp h ILE 78 Cb 0.56 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2kkp h ILE 78 CO 0.03 0.28 0.14 -0.74 0.00 0.00 0.00 178.15 177.87 2kkp h HIS 79 N 0.62 1.01 0.00 1.37 2.76 -0.13 -1.55 115.15 119.23 2kkp h HIS 79 Ca 0.14 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kkp h HIS 79 Cb 0.31 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.98 2kkp h HIS 79 CO 0.01 0.84 -0.00 0.28 -1.30 0.00 0.00 177.93 177.76 2kkp h VAL 80 N 0.93 1.47 -0.69 5.26 2.07 -0.49 -2.11 116.25 122.68 2kkp h VAL 80 Ca 0.20 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2kkp h VAL 80 Cb 0.34 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2kkp h VAL 80 CO 0.00 0.36 0.28 1.62 0.02 0.00 0.00 177.57 179.86 2kkp h VAL 81 N -0.60 1.23 -0.37 2.57 3.04 -0.92 -0.83 116.25 120.38 2kkp h VAL 81 Ca -0.00 -0.72 -0.11 0.00 -1.01 0.00 0.00 66.70 64.86 2kkp h VAL 81 Cb 0.60 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2kkp h VAL 81 CO 0.00 0.29 -0.19 0.25 -1.01 0.00 0.00 177.57 176.91 2kkp h LEU 82 N 0.99 0.81 -1.21 3.16 5.85 -1.35 -0.98 115.31 122.58 2kkp h LEU 82 Ca 0.23 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2kkp h LEU 82 Cb 0.17 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2kkp h LEU 82 CO -0.02 1.04 0.54 -0.74 -0.34 0.00 0.00 178.44 178.92 2kkp h HIS 83 N 0.57 1.02 0.30 1.25 2.76 -0.92 0.31 115.15 120.44 2kkp h HIS 83 Ca 0.08 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2kkp h HIS 83 Cb 0.75 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2kkp h HIS 83 CO 0.06 0.64 -0.14 1.49 -1.30 0.00 0.00 177.93 178.67 2kkp h GLU 84 N 1.09 -0.39 -0.31 5.26 4.57 -0.93 -2.85 114.58 121.01 2kkp h GLU 84 Ca 0.30 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.47 2kkp h GLU 84 Cb -0.12 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2kkp h GLU 84 CO -0.07 -0.06 0.04 0.00 -1.18 0.00 0.00 179.01 177.75 2kkp h ALA 85 N -0.51 0.42 0.00 2.92 0.00 -1.07 -2.97 119.26 118.04 2kkp h ALA 85 Ca -0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2kkp h ALA 85 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kkp h ALA 85 CO 0.07 0.12 -0.35 1.98 0.00 0.00 0.00 179.25 181.07 2kkp h MET 86 N 0.35 0.00 0.00 0.00 1.85 -1.06 -2.56 114.93 113.50 2kkp h MET 86 Ca 0.09 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.11 2kkp h MET 86 Cb 0.36 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2kkp h MET 86 CO 0.01 0.35 -0.34 0.66 -0.40 0.00 0.00 176.91 177.19 2kkp h SER 87 N 0.00 0.00 0.12 1.39 4.64 -1.34 -2.26 113.55 116.10 2kkp h SER 87 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2kkp h SER 87 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2kkp h SER 87 CO 0.05 0.34 -0.17 1.56 -0.87 0.00 0.00 176.83 177.73 2kkp h GLN 88 N 0.00 0.11 -0.43 4.77 4.20 -1.44 0.80 115.11 123.13 2kkp h GLN 88 Ca -0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2kkp h GLN 88 Cb 0.73 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2kkp h GLN 88 CO 0.04 0.29 -0.18 0.00 -0.67 0.00 0.00 178.83 178.32 2kkp h ALA 89 N 1.72 0.87 -0.25 3.87 0.00 -1.50 0.13 119.26 124.10 2kkp h ALA 89 Ca 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2kkp h ALA 89 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kkp h ALA 89 CO 0.02 0.63 -0.03 -0.09 0.00 0.00 0.00 179.25 179.79 2kkp h ARG 90 N 0.73 0.46 0.00 0.00 2.43 -1.16 -2.77 114.38 114.08 2kkp h ARG 90 Ca 0.11 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2kkp h ARG 90 Cb 0.69 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2kkp h ARG 90 CO 0.05 0.66 -0.19 0.93 -1.51 0.00 0.00 179.97 179.91 2kkp h GLU 91 N 0.22 0.00 0.00 0.20 5.08 -0.75 -1.78 114.58 117.55 2kkp h GLU 91 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2kkp h GLU 91 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kkp h GLU 91 CO 0.02 0.19 -0.24 1.03 -1.00 0.00 0.00 179.01 179.01 2kkp h SER 92 N 0.00 0.00 0.00 1.42 0.87 -0.70 -3.47 113.55 111.68 2kkp h SER 92 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kkp h SER 92 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2kkp h SER 92 CO 0.03 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.18 2kkp n GLY 93 N -0.23 0.48 0.02 5.77 0.00 -0.67 -4.92 105.19 105.65 2kkp n GLY 93 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2kkp n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkp n LEU 94 N 0.00 0.50 -3.88 0.99 -0.00 -1.12 -4.78 117.00 108.71 2kkp n LEU 94 Ca 0.00 0.16 -0.17 0.00 -0.00 0.00 0.00 56.01 56.00 2kkp n LEU 94 Cb 0.00 -0.27 -0.16 0.00 -0.00 0.00 0.00 43.42 43.00 2kkp n LEU 94 CO 0.00 0.04 -0.39 -0.22 -0.00 0.00 0.00 177.39 176.82 2kkp s LEU 95 N -3.42 1.46 -0.01 1.47 2.96 -1.10 -4.94 118.68 115.09 2kkp s LEU 95 Ca 0.10 -0.07 0.22 0.00 -0.22 0.00 0.00 54.13 54.16 2kkp s LEU 95 Cb 0.16 -0.28 -0.30 0.00 0.50 0.00 0.00 46.19 46.27 2kkp s LEU 95 CO 0.68 -0.04 0.58 0.00 -1.32 0.00 0.00 176.35 176.25 2kkp n LEU 96 N 3.77 0.20 -4.56 -0.68 -0.00 -1.26 -4.05 117.00 110.42 2kkp n LEU 96 Ca -0.23 -0.06 -0.24 0.00 -0.00 0.00 0.00 56.01 55.48 2kkp n LEU 96 Cb 0.53 -0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.85 2kkp n LEU 96 CO 0.24 0.03 -0.40 0.00 -0.00 0.00 0.00 177.39 177.26 2kkp s GLN 97 N -3.43 1.97 -0.43 1.47 -2.07 -1.26 -5.07 119.66 110.84 2kkp s GLN 97 Ca -0.05 -1.62 0.04 0.00 -1.82 0.00 0.00 55.36 51.91 2kkp s GLN 97 Cb 0.14 -1.94 0.12 0.00 -1.09 0.00 0.00 33.01 30.23 2kkp s GLN 97 CO 0.90 0.33 0.16 1.21 -1.32 0.00 0.00 175.29 176.56 2kkp s ASN 98 N -3.60 4.51 0.00 12.60 3.84 -1.26 -4.81 114.94 126.23 2kkp s ASN 98 Ca 0.31 -2.59 0.28 0.00 0.21 0.00 0.00 52.86 51.07 2kkp s ASN 98 Cb -0.05 -1.61 1.11 0.00 -0.55 0.00 0.00 41.25 40.14 2kkp s ASN 98 CO 0.17 -0.30 1.84 -0.81 -2.79 0.00 0.00 177.10 175.21 2kkp n PRO 99 N 3.67 0.02 0.18 0.43 -0.04 -1.26 -3.54 135.00 134.46 2kkp n PRO 99 Ca 0.04 -0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 2kkp n PRO 99 Cb 0.37 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.66 2kkp n PRO 99 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2kkp h THR 100 N 0.01 1.07 0.00 0.52 2.02 -1.95 -2.39 112.91 112.19 2kkp h THR 100 Ca 0.00 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.54 2kkp h THR 100 Cb 0.49 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2kkp h THR 100 CO 0.00 0.40 -0.50 -0.33 0.37 0.00 0.00 175.52 175.47 2kkp h GLU 101 N 0.00 0.00 -0.07 6.66 5.08 -1.97 -2.78 114.58 121.50 2kkp h GLU 101 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kkp h GLU 101 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kkp h GLU 101 CO 0.05 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 2kkp n ALA 102 N -2.30 2.58 -2.62 3.43 0.00 -0.91 -4.70 120.51 115.98 2kkp n ALA 102 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 2kkp n ALA 102 Cb 0.61 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 2kkp n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkp s ALA 103 N -1.92 3.25 0.03 0.00 0.00 -1.05 -4.91 121.76 117.16 2kkp s ALA 103 Ca 0.34 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 2kkp s ALA 103 Cb 0.17 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2kkp s ALA 103 CO 0.28 -2.12 0.31 -1.59 0.00 0.00 0.00 175.76 172.63 2kkp s LYS 104 N 3.45 3.64 0.21 0.00 -2.85 -1.26 -5.02 119.74 117.91 2kkp s LYS 104 Ca 0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 55.97 55.16 2kkp s LYS 104 Cb -0.13 -3.05 0.31 0.00 -2.06 0.00 0.00 37.83 32.89 2kkp s LYS 104 CO 0.20 0.62 1.72 -1.35 0.10 0.00 0.00 175.35 176.64 2kkp h PRO 105 N 3.89 0.33 -6.38 1.78 0.11 -1.99 -3.41 132.00 126.33 2kkp h PRO 105 Ca -0.50 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.05 2kkp h PRO 105 Cb 1.20 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.26 2kkp h PRO 105 CO 0.66 0.22 1.17 -0.35 -0.21 0.00 0.00 178.00 179.49 2kkp n PRO 106 N -5.06 2.71 -2.50 1.05 -0.04 -1.26 -4.89 135.00 125.00 2kkp n PRO 106 Ca 0.10 0.99 -0.40 0.00 -0.04 0.00 0.00 63.50 64.15 2kkp n PRO 106 Cb 0.32 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 2kkp n PRO 106 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kkp s ARG 107 N 3.94 3.36 -0.33 0.54 3.00 -1.26 -4.80 118.95 123.40 2kkp s ARG 107 Ca 0.88 -0.75 0.03 0.00 0.00 0.00 0.00 55.73 55.90 2kkp s ARG 107 Cb -0.50 -4.97 0.19 0.00 0.00 0.00 0.00 34.95 29.67 2kkp s ARG 107 CO 0.43 -2.30 0.69 -1.58 0.00 0.00 0.00 175.30 172.54 2kkp s HIS 108 N 5.74 -1.54 0.43 -0.53 2.46 -1.26 -5.16 115.29 115.43 2kkp s HIS 108 Ca 0.46 0.66 -0.04 0.00 0.47 0.00 0.00 55.06 56.61 2kkp s HIS 108 Cb -0.03 0.27 0.09 0.00 -0.13 0.00 0.00 32.58 32.78 2kkp s HIS 108 CO -0.01 -0.95 0.58 -0.35 -2.47 0.00 0.00 174.74 171.54 2kkp n PRO 109 N 4.95 -0.14 -2.20 2.88 -0.04 -1.26 -4.96 135.00 134.23 2kkp n PRO 109 Ca 0.07 -1.24 -0.43 0.00 -0.04 0.00 0.00 63.50 61.87 2kkp n PRO 109 Cb 0.56 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 2kkp n PRO 109 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkp n LEU 110 N 0.00 6.45 -4.73 1.53 7.99 -1.26 -4.98 117.00 122.00 2kkp n LEU 110 Ca 0.08 -4.38 -0.42 0.00 -0.01 0.00 0.00 56.01 51.28 2kkp n LEU 110 Cb 0.30 -1.58 -0.03 0.00 -0.11 0.00 0.00 43.42 42.00 2kkp n LEU 110 CO 0.21 1.11 1.15 -1.83 -1.51 0.00 0.00 177.39 176.52 2kkp s GLU 111 N 1.84 4.26 -0.21 3.23 -1.05 -1.26 -5.00 118.70 120.51 2kkp s GLU 111 Ca 0.44 2.29 -0.04 0.00 -0.15 0.00 0.00 54.97 57.51 2kkp s GLU 111 Cb 0.10 -3.15 0.11 0.00 -0.44 0.00 0.00 34.13 30.74 2kkp s GLU 111 CO -0.02 -0.49 0.33 -3.38 0.95 0.00 0.00 175.26 172.64 2kkp s HIS 112 N 0.60 -0.63 -1.04 4.83 -3.43 -1.26 -5.08 115.29 109.28 2kkp s HIS 112 Ca 0.64 0.82 -0.23 0.00 -0.80 0.00 0.00 55.06 55.49 2kkp s HIS 112 Cb -0.42 -0.04 0.02 0.00 -1.43 0.00 0.00 32.58 30.71 2kkp s HIS 112 CO 0.37 -0.60 1.66 -1.58 -2.00 0.00 0.00 174.74 172.60 2kkp s HIS 113 N 2.48 2.32 -0.22 0.38 2.46 -1.26 -4.33 115.29 117.13 2kkp s HIS 113 Ca 0.07 -0.45 -0.05 0.00 0.47 0.00 0.00 55.06 55.10 2kkp s HIS 113 Cb -0.14 -4.47 0.01 0.00 -0.13 0.00 0.00 32.58 27.84 2kkp s HIS 113 CO -0.13 -1.81 0.13 1.58 -2.47 0.00 0.00 174.74 172.03 2kkp n HIS 114 N 10.64 -2.33 -2.43 3.88 -0.00 -1.26 -4.90 115.22 118.82 2kkp n HIS 114 Ca 0.38 1.01 -0.42 0.00 -0.00 0.00 0.00 57.72 58.70 2kkp n HIS 114 Cb 0.49 -2.68 -0.03 0.00 -0.00 0.00 0.00 29.99 27.77 2kkp n HIS 114 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kkp s HIS 115 N -1.48 3.47 0.13 1.57 2.46 -1.26 -4.81 115.29 115.36 2kkp s HIS 115 Ca 0.06 1.39 0.00 0.00 0.47 0.00 0.00 55.06 56.99 2kkp s HIS 115 Cb -0.01 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.05 2kkp s HIS 115 CO 0.50 -1.11 0.00 0.72 -2.47 0.00 0.00 174.74 172.38 2kkp n HIS 116 N 3.29 -0.97 -0.32 3.88 8.25 -1.26 -5.21 115.22 122.89 2kkp n HIS 116 Ca 0.07 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2kkp n HIS 116 Cb 0.46 -1.35 0.00 0.00 1.12 0.00 0.00 29.99 30.22 2kkp n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56