#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp s ILE 2 N 0.00 5.30 -0.81 3.17 -4.36 -1.26 -4.59 121.20 118.65 2kkp s ILE 2 Ca 0.00 -0.46 -0.02 0.00 -0.26 0.00 0.00 60.65 59.91 2kkp s ILE 2 Cb 0.00 -3.70 -0.01 0.00 1.25 0.00 0.00 42.46 40.00 2kkp s ILE 2 CO 0.00 -0.03 0.72 -0.62 0.24 0.00 0.00 174.94 175.25 2kkp n GLU 3 N -0.27 -1.46 0.00 0.37 -0.58 -1.26 -4.93 120.64 112.52 2kkp n GLU 3 Ca -0.05 1.26 0.13 0.00 -0.42 0.00 0.00 57.16 58.08 2kkp n GLU 3 Cb 0.53 -5.22 0.48 0.00 -0.57 0.00 0.00 31.44 26.66 2kkp n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2kkp n PRO 4 N -2.20 0.17 -3.40 3.49 -0.05 -1.26 -4.69 135.00 127.06 2kkp n PRO 4 Ca -0.06 -0.06 -0.44 0.00 -0.05 0.00 0.00 63.50 62.89 2kkp n PRO 4 Cb 0.55 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.43 2kkp n PRO 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2kkp s SER 5 N -2.87 6.06 -0.33 3.54 0.15 -1.26 -4.97 113.70 114.01 2kkp s SER 5 Ca 0.16 -1.63 -0.00 0.00 0.70 0.00 0.00 55.95 55.18 2kkp s SER 5 Cb 0.19 -2.15 0.14 0.00 -1.71 0.00 0.00 66.02 62.48 2kkp s SER 5 CO 0.58 -0.74 0.25 -0.75 1.20 0.00 0.00 173.24 173.78 2kkp s LYS 6 N 1.56 0.46 -0.26 5.44 2.20 -1.26 -5.09 119.74 122.79 2kkp s LYS 6 Ca 0.04 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.79 2kkp s LYS 6 Cb -0.27 -1.01 0.14 0.00 -1.51 0.00 0.00 37.83 35.18 2kkp s LYS 6 CO 0.04 -1.14 0.38 -1.50 -0.36 0.00 0.00 175.35 172.77 2kkp s ILE 7 N 1.59 -0.60 0.44 5.43 2.07 -1.26 -5.06 121.20 123.81 2kkp s ILE 7 Ca 0.14 -0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.27 2kkp s ILE 7 Cb -0.18 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 2kkp s ILE 7 CO -0.14 -0.18 0.03 0.42 -1.91 0.00 0.00 174.94 173.16 2kkp s THR 8 N 2.54 1.31 0.15 4.00 -4.23 -1.26 -4.59 115.64 113.56 2kkp s THR 8 Ca 0.12 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.45 2kkp s THR 8 Cb -0.15 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2kkp s THR 8 CO -0.21 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.15 2kkp h VAL 9 N 1.64 0.72 -0.59 2.29 2.07 -0.69 -0.35 116.25 121.33 2kkp h VAL 9 Ca -0.42 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2kkp h VAL 9 Cb 1.28 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2kkp h VAL 9 CO 0.73 0.01 0.35 1.05 0.02 0.00 0.00 177.57 179.73 2kkp h GLU 10 N 0.03 0.81 -0.19 1.57 4.11 -1.66 -0.90 114.58 118.35 2kkp h GLU 10 Ca 0.15 -0.08 -0.17 0.00 0.07 0.00 0.00 59.36 59.33 2kkp h GLU 10 Cb 0.22 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2kkp h GLU 10 CO -0.29 0.59 -0.57 1.96 0.07 0.00 0.00 179.01 180.76 2kkp h GLN 11 N 0.80 0.60 0.00 1.06 4.20 -1.73 -2.72 115.11 117.32 2kkp h GLN 11 Ca 0.21 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2kkp h GLN 11 Cb -0.01 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2kkp h GLN 11 CO -0.04 1.01 -0.00 2.35 -0.67 0.00 0.00 178.83 181.48 2kkp h TRP 12 N 0.46 -0.00 -0.37 2.96 7.01 -0.81 -3.03 115.95 122.16 2kkp h TRP 12 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2kkp h TRP 12 Cb 1.13 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.17 2kkp h TRP 12 CO 0.05 0.66 0.23 -0.07 -2.79 0.00 0.00 178.44 176.52 2kkp h LEU 13 N -0.67 0.43 -0.58 0.65 3.38 -1.24 -0.08 115.31 117.21 2kkp h LEU 13 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2kkp h LEU 13 Cb 0.66 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2kkp h LEU 13 CO 0.00 0.34 0.32 0.78 0.09 0.00 0.00 178.44 179.98 2kkp h ASN 14 N 0.49 0.49 -0.28 -0.43 2.35 -1.58 -1.53 115.58 115.09 2kkp h ASN 14 Ca 0.13 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 2kkp h ASN 14 Cb -0.02 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 2kkp h ASN 14 CO -0.03 0.34 -0.33 -0.09 -1.65 0.00 0.00 177.43 175.67 2kkp h ARG 15 N 0.62 0.71 -0.22 0.81 2.43 -1.37 -2.87 114.38 114.49 2kkp h ARG 15 Ca 0.25 -0.39 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2kkp h ARG 15 Cb 0.11 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2kkp h ARG 15 CO -0.14 1.01 0.04 2.35 -1.51 0.00 0.00 179.97 181.72 2kkp h TRP 16 N 0.45 0.06 0.00 2.20 7.01 -0.60 -1.84 115.95 123.23 2kkp h TRP 16 Ca 0.04 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.97 2kkp h TRP 16 Cb 0.91 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 2kkp h TRP 16 CO 0.08 0.01 -0.39 1.37 -2.79 0.00 0.00 178.44 176.72 2kkp h LEU 17 N 0.12 0.00 0.03 0.65 8.10 -1.34 -1.84 115.31 121.03 2kkp h LEU 17 Ca 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.09 2kkp h LEU 17 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.32 2kkp h LEU 17 CO -0.14 0.39 -0.01 0.74 -4.11 0.00 0.00 178.44 175.31 2kkp h THR 18 N 0.00 1.27 0.00 0.15 2.02 -1.12 -0.52 112.91 114.71 2kkp h THR 18 Ca -0.00 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2kkp h THR 18 Cb 0.73 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2kkp h THR 18 CO 0.05 0.24 -0.41 0.44 0.37 0.00 0.00 175.52 176.21 2kkp h ASP 19 N -0.46 0.00 -0.49 4.18 3.32 -1.42 -3.20 116.42 118.35 2kkp h ASP 19 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kkp h ASP 19 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kkp h ASP 19 CO 0.01 0.19 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 2kkp n TYR 20 N -3.05 0.65 -0.32 4.55 4.02 -0.70 -4.55 117.16 117.76 2kkp n TYR 20 Ca 0.02 -0.33 0.28 0.00 -0.01 0.00 0.00 57.90 57.85 2kkp n TYR 20 Cb 0.62 -0.00 0.60 0.00 -0.02 0.00 0.00 39.34 40.54 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kkp h ALA 21 N 4.34 2.58 -2.68 -0.72 0.00 -1.08 -3.37 119.26 118.33 2kkp h ALA 21 Ca 0.00 0.03 -0.67 0.00 0.00 0.00 0.00 54.91 54.27 2kkp h ALA 21 Cb 0.98 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.65 2kkp h ALA 21 CO 0.00 -0.96 -0.39 0.15 0.00 0.00 0.00 179.25 178.05 2kkp s LYS 22 N -5.28 3.58 -0.27 0.00 1.02 -1.26 -4.95 119.74 112.58 2kkp s LYS 22 Ca -0.07 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2kkp s LYS 22 Cb 0.25 -3.79 0.26 0.00 -0.52 0.00 0.00 37.83 34.02 2kkp s LYS 22 CO 0.80 -0.45 1.76 -0.35 -0.92 0.00 0.00 175.35 176.18 2kkp n PRO 23 N 5.24 1.70 0.00 -1.68 -0.04 -1.26 -4.93 135.00 134.03 2kkp n PRO 23 Ca -0.11 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2kkp n PRO 23 Cb 0.50 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2kkp n PRO 23 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kkp n HIS 24 N 0.08 0.00 -3.72 0.54 8.25 -1.26 -4.57 115.22 114.54 2kkp n HIS 24 Ca 0.29 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.37 2kkp n HIS 24 Cb 0.79 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.78 2kkp n HIS 24 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kkp s LEU 25 N 0.00 3.85 -1.06 2.41 1.43 -1.26 -5.03 118.68 119.02 2kkp s LEU 25 Ca 0.00 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 2kkp s LEU 25 Cb 0.00 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.35 2kkp s LEU 25 CO 0.00 -0.16 1.45 0.00 0.23 0.00 0.00 176.35 177.87 2kkp s ARG 26 N 1.57 3.67 -0.19 1.70 1.70 -1.26 -4.72 118.95 121.41 2kkp s ARG 26 Ca 0.04 -1.39 -0.15 0.00 -0.47 0.00 0.00 55.73 53.76 2kkp s ARG 26 Cb -0.17 -5.32 -0.21 0.00 -0.57 0.00 0.00 34.95 28.69 2kkp s ARG 26 CO 0.04 -2.14 0.19 1.04 -1.08 0.00 0.00 175.30 173.34 2kkp n GLN 27 N 8.39 0.63 -3.11 3.89 1.13 -1.26 -4.92 117.38 122.13 2kkp n GLN 27 Ca 0.34 0.43 -0.34 0.00 -1.94 0.00 0.00 57.00 55.50 2kkp n GLN 27 Cb 0.50 -1.70 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 2kkp n GLN 27 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2kkp s SER 28 N -6.96 6.90 0.63 1.08 0.01 -1.26 -5.08 113.70 109.02 2kkp s SER 28 Ca -0.28 1.35 -0.08 0.00 1.31 0.00 0.00 55.95 58.25 2kkp s SER 28 Cb 0.07 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.92 2kkp s SER 28 CO 0.64 -0.11 0.97 -0.89 0.41 0.00 0.00 173.24 174.26 2kkp s THR 29 N -1.79 3.58 -0.12 1.44 2.01 -1.26 -4.97 115.64 114.53 2kkp s THR 29 Ca 0.50 0.17 -0.32 0.00 0.31 0.00 0.00 61.69 62.34 2kkp s THR 29 Cb -0.13 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.83 2kkp s THR 29 CO 0.19 -0.52 2.00 0.79 -0.69 0.00 0.00 174.62 176.39 2kkp n TRP 30 N -2.74 2.23 -2.74 4.92 8.01 -1.26 -4.95 117.44 120.91 2kkp n TRP 30 Ca 0.05 -0.08 -0.22 0.00 -1.31 0.00 0.00 57.50 55.95 2kkp n TRP 30 Cb 0.57 -2.69 0.08 0.00 -2.01 0.00 0.00 31.31 27.26 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 4.82 2.07 0.41 -0.99 1.03 -1.26 -5.00 118.70 119.78 2kkp s GLU 31 Ca 0.95 -1.20 0.21 0.00 0.03 0.00 0.00 54.97 54.96 2kkp s GLU 31 Cb -0.59 -2.47 0.86 0.00 -0.80 0.00 0.00 34.13 31.13 2kkp s GLU 31 CO 0.47 -1.09 1.82 0.77 -1.33 0.00 0.00 175.26 175.90 2kkp h SER 32 N -0.16 0.00 -1.01 0.83 0.02 -2.02 -2.96 113.55 108.25 2kkp h SER 32 Ca -0.36 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.71 2kkp h SER 32 Cb 1.28 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.73 2kkp h SER 32 CO 0.43 0.30 0.64 1.88 -1.14 0.00 0.00 176.83 178.93 2kkp h TYR 33 N 0.00 1.16 -0.94 3.45 -1.99 -1.99 -1.44 116.97 115.22 2kkp h TYR 33 Ca -0.00 0.03 0.10 0.00 2.00 0.00 0.00 58.73 60.86 2kkp h TYR 33 Cb 0.75 -0.37 -0.07 0.00 2.00 0.00 0.00 36.73 39.04 2kkp h TYR 33 CO 0.00 0.47 0.60 1.49 -0.00 0.00 0.00 178.16 180.72 2kkp h GLU 34 N 1.01 0.93 0.00 4.88 4.22 -1.92 -2.62 114.58 121.09 2kkp h GLU 34 Ca 0.50 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.80 2kkp h GLU 34 Cb 0.47 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kkp h GLU 34 CO -0.26 0.62 -0.78 2.41 -2.18 0.00 0.00 179.01 178.82 2kkp n THR 35 N -4.55 1.46 -0.02 0.32 -1.04 -0.73 -4.37 114.28 105.35 2kkp n THR 35 Ca 0.16 0.13 0.04 0.00 -2.04 0.00 0.00 64.05 62.34 2kkp n THR 35 Cb 0.30 -2.27 0.41 0.00 -1.82 0.00 0.00 70.33 66.95 2kkp n THR 35 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2kkp h VAL 36 N -1.00 1.11 0.52 12.58 -1.51 -1.34 -2.46 116.25 124.15 2kkp h VAL 36 Ca -0.12 -0.21 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 2kkp h VAL 36 Cb 0.78 0.46 0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2kkp h VAL 36 CO -0.07 0.11 -0.25 0.25 -1.23 0.00 0.00 177.57 176.38 2kkp h LEU 37 N 0.60 -0.59 -1.54 4.19 5.85 -1.68 -2.23 115.31 119.90 2kkp h LEU 37 Ca 0.16 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2kkp h LEU 37 Cb -0.06 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kkp h LEU 37 CO -0.04 -0.42 -0.24 0.08 -0.34 0.00 0.00 178.44 177.49 2kkp h ARG 38 N -0.71 0.00 -0.34 1.25 0.11 -1.75 -2.63 114.38 110.32 2kkp h ARG 38 Ca -0.07 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.88 2kkp h ARG 38 Cb 0.54 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 2kkp h ARG 38 CO 0.12 0.24 -0.30 1.25 0.10 0.00 0.00 179.97 181.38 2kkp h LEU 39 N 0.00 0.76 0.04 0.08 5.85 -1.35 -2.91 115.31 117.77 2kkp h LEU 39 Ca -0.00 -0.30 -0.34 0.00 0.84 0.00 0.00 57.88 58.08 2kkp h LEU 39 Cb 0.50 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2kkp h LEU 39 CO 0.03 1.00 -1.98 0.00 -0.34 0.00 0.00 178.44 177.16 2kkp n HIS 40 N -4.08 0.83 -0.10 1.25 1.44 -0.85 -4.58 115.22 109.12 2kkp n HIS 40 Ca -0.01 0.24 -0.13 0.00 -2.01 0.00 0.00 57.72 55.82 2kkp n HIS 40 Cb 0.47 -1.13 -0.12 0.00 0.12 0.00 0.00 29.99 29.33 2kkp n HIS 40 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 2kkp n VAL 41 N -3.15 1.29 0.17 0.61 3.14 -1.02 -4.36 118.33 115.00 2kkp n VAL 41 Ca -0.27 -0.62 -0.14 0.00 -2.96 0.00 0.00 64.34 60.35 2kkp n VAL 41 Cb 1.06 -0.96 -0.08 0.00 -1.06 0.00 0.00 33.84 32.80 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2kkp h ILE 42 N 0.00 0.73 0.00 1.55 2.04 -1.71 0.70 117.51 120.83 2kkp h ILE 42 Ca -0.50 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2kkp h ILE 42 Cb 1.94 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2kkp h ILE 42 CO -0.03 0.06 0.00 -0.81 0.00 0.00 0.00 178.15 177.37 2kkp n PRO 43 N -5.20 0.48 -0.02 2.37 -0.04 -1.26 -1.75 135.00 129.57 2kkp n PRO 43 Ca -0.10 0.05 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 2kkp n PRO 43 Cb 0.22 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 2kkp n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kkp n THR 44 N -1.17 0.93 -0.87 0.52 -2.24 -1.06 -4.77 114.28 105.63 2kkp n THR 44 Ca 0.13 0.27 0.08 0.00 -2.27 0.00 0.00 64.05 62.26 2kkp n THR 44 Cb 0.14 -1.81 0.30 0.00 -2.10 0.00 0.00 70.33 66.85 2kkp n THR 44 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkp n LEU 45 N -3.56 4.33 0.04 3.22 4.77 0.22 -4.65 117.00 121.36 2kkp n LEU 45 Ca -0.06 -2.86 0.08 0.00 -0.03 0.00 0.00 56.01 53.14 2kkp n LEU 45 Cb 0.22 -0.55 0.51 0.00 -2.33 0.00 0.00 43.42 41.26 2kkp n LEU 45 CO 0.09 0.68 1.15 1.23 -1.33 0.00 0.00 177.39 179.21 2kkp h GLY 46 N 2.55 0.41 -0.55 -0.72 0.00 -1.17 -1.03 103.07 102.56 2kkp h GLY 46 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2kkp h GLY 46 CO 0.27 0.12 0.00 -1.26 0.00 0.00 0.00 176.54 175.68 2kkp n SER 47 N -4.48 0.96 -4.73 0.19 2.88 -1.26 -1.89 113.62 105.30 2kkp n SER 47 Ca 0.04 -1.90 -0.36 0.00 -1.33 0.00 0.00 58.87 55.32 2kkp n SER 47 Cb 0.17 -0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kkp s ILE 48 N -1.78 5.31 0.52 2.46 -1.09 -0.39 -4.89 121.20 121.33 2kkp s ILE 48 Ca 0.17 0.53 -0.21 0.00 -2.23 0.00 0.00 60.65 58.90 2kkp s ILE 48 Cb 0.09 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.28 2kkp s ILE 48 CO 0.12 0.39 1.23 -2.84 -1.23 0.00 0.00 174.94 172.61 2kkp s PRO 49 N 0.48 3.36 0.50 2.79 0.02 -1.26 -1.70 135.00 139.19 2kkp s PRO 49 Ca 0.16 1.91 0.18 0.00 0.02 0.00 0.00 61.00 63.28 2kkp s PRO 49 Cb -0.13 -2.23 1.23 0.00 0.02 0.00 0.00 34.50 33.40 2kkp s PRO 49 CO 0.03 -0.91 2.05 -0.07 -0.33 0.00 0.00 177.00 177.77 2kkp h LEU 50 N 1.55 0.12 -1.33 -5.54 3.38 -1.91 0.38 115.31 111.96 2kkp h LEU 50 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kkp h LEU 50 Cb 1.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2kkp h LEU 50 CO 0.58 0.08 0.00 0.29 0.09 0.00 0.00 178.44 179.48 2kkp n LYS 51 N -4.46 1.87 -0.07 1.13 5.02 -1.26 -3.14 118.16 117.25 2kkp n LYS 51 Ca 0.05 -1.31 0.02 0.00 -2.02 0.00 0.00 58.31 55.05 2kkp n LYS 51 Cb 0.35 -1.40 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 2kkp n LYS 51 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kkp n LYS 52 N 0.54 2.93 -2.56 1.97 5.02 0.10 -4.96 118.16 121.20 2kkp n LYS 52 Ca 0.16 -1.72 -0.42 0.00 -2.02 0.00 0.00 58.31 54.32 2kkp n LYS 52 Cb 0.37 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kkp s LEU 53 N -1.04 3.30 0.09 -0.35 1.98 -1.08 -4.88 118.68 116.69 2kkp s LEU 53 Ca 0.09 -0.17 0.01 0.00 -2.89 0.00 0.00 54.13 51.17 2kkp s LEU 53 Cb 0.05 -2.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.01 2kkp s LEU 53 CO 0.06 -1.68 0.21 -1.10 -1.89 0.00 0.00 176.35 171.95 2kkp s GLN 54 N 5.39 3.37 0.50 1.98 -1.52 -1.26 -4.93 119.66 123.18 2kkp s GLN 54 Ca 0.39 -0.51 0.19 0.00 -1.95 0.00 0.00 55.36 53.48 2kkp s GLN 54 Cb -0.08 -2.98 1.24 0.00 -0.22 0.00 0.00 33.01 30.97 2kkp s GLN 54 CO 0.20 0.58 2.05 -1.35 -0.25 0.00 0.00 175.29 176.52 2kkp h PRO 55 N 2.87 0.12 -0.64 2.91 0.11 -1.91 -1.77 132.00 133.69 2kkp h PRO 55 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kkp h PRO 55 Cb 1.17 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2kkp h PRO 55 CO 0.73 0.08 0.41 0.00 -0.21 0.00 0.00 178.00 179.02 2kkp h ALA 56 N 1.81 0.81 -0.18 -0.75 0.00 -1.92 0.27 119.26 119.31 2kkp h ALA 56 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2kkp h ALA 56 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kkp h ALA 56 CO -0.02 0.25 -0.34 -0.44 0.00 0.00 0.00 179.25 178.70 2kkp h ASP 57 N 0.86 0.37 -0.13 0.00 3.32 -1.74 0.18 116.42 119.29 2kkp h ASP 57 Ca 0.23 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2kkp h ASP 57 Cb -0.08 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2kkp h ASP 57 CO -0.05 0.70 -0.05 0.40 -1.72 0.00 0.00 179.24 178.51 2kkp h ILE 58 N 0.31 1.31 -0.90 0.35 2.04 -1.18 0.79 117.51 120.22 2kkp h ILE 58 Ca 0.04 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2kkp h ILE 58 Cb 0.75 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 2kkp h ILE 58 CO 0.06 0.31 0.56 -0.61 0.00 0.00 0.00 178.15 178.47 2kkp h GLN 59 N -0.07 1.21 -0.42 2.37 4.15 -0.74 -0.35 115.11 121.26 2kkp h GLN 59 Ca 0.03 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.38 2kkp h GLN 59 Cb 0.51 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 2kkp h GLN 59 CO 0.02 0.83 0.22 -0.09 -1.93 0.00 0.00 178.83 177.88 2kkp h ARG 60 N 1.23 0.43 -0.65 1.69 2.43 -0.50 -0.92 114.38 118.09 2kkp h ARG 60 Ca 0.33 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2kkp h ARG 60 Cb -0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 2kkp h ARG 60 CO -0.06 0.29 0.40 1.25 -1.51 0.00 0.00 179.97 180.33 2kkp h LEU 61 N 0.44 0.65 -0.56 3.80 7.12 -0.10 0.21 115.31 126.88 2kkp h LEU 61 Ca 0.18 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 2kkp h LEU 61 Cb 0.07 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 2kkp h LEU 61 CO -0.11 0.45 0.27 1.88 -0.13 0.00 0.00 178.44 180.80 2kkp h TYR 62 N 0.78 0.81 -0.17 1.25 0.05 -0.57 -2.35 116.97 116.77 2kkp h TYR 62 Ca 0.27 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.91 2kkp h TYR 62 Cb 0.03 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 2kkp h TYR 62 CO -0.05 0.62 -0.27 0.00 -1.05 0.00 0.00 178.16 177.41 2kkp h ALA 63 N 1.11 0.26 -0.40 3.88 0.00 -0.77 -2.68 119.26 120.66 2kkp h ALA 63 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kkp h ALA 63 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kkp h ALA 63 CO -0.02 0.25 0.22 0.77 0.00 0.00 0.00 179.25 180.46 2kkp h SER 64 N 0.11 0.50 1.02 0.00 0.02 -0.51 -1.01 113.55 113.67 2kkp h SER 64 Ca 0.01 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2kkp h SER 64 Cb 0.85 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2kkp h SER 64 CO 0.06 0.45 -0.21 0.07 -1.14 0.00 0.00 176.83 176.06 2kkp h LYS 65 N 0.51 0.00 -0.39 3.45 2.10 -1.51 -2.87 116.57 117.85 2kkp h LYS 65 Ca 0.14 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.63 2kkp h LYS 65 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2kkp h LYS 65 CO -0.02 0.21 -0.37 1.25 -2.00 0.00 0.00 179.45 178.52 2kkp h LEU 66 N 0.00 1.00 -1.67 7.07 5.85 -0.97 -2.67 115.31 123.91 2kkp h LEU 66 Ca -0.00 -0.45 0.13 0.00 0.84 0.00 0.00 57.88 58.40 2kkp h LEU 66 Cb 0.77 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2kkp h LEU 66 CO 0.03 1.25 0.44 -0.08 -0.34 0.00 0.00 178.44 179.73 2kkp h GLU 67 N 0.77 0.34 0.00 1.25 4.22 -0.99 0.09 114.58 120.26 2kkp h GLU 67 Ca 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2kkp h GLU 67 Cb 0.96 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2kkp h GLU 67 CO 0.09 0.22 0.00 0.45 -2.18 0.00 0.00 179.01 177.59 2kkp n SER 68 N -4.46 0.00 0.00 1.04 2.88 -1.01 -4.79 113.62 107.29 2kkp n SER 68 Ca 0.12 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2kkp n SER 68 Cb 0.47 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.25 1.61 3.85 0.46 0.00 -0.00 -5.11 105.19 105.76 2kkp n GLY 69 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 3.26 0.12 0.99 1.43 -1.07 -5.07 118.68 118.33 2kkp s LEU 70 Ca 0.00 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 2kkp s LEU 70 Cb 0.00 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2kkp s LEU 70 CO 0.00 -0.97 0.22 -0.44 0.23 0.00 0.00 176.35 175.38 2kkp s SER 71 N -3.94 6.13 0.31 2.29 0.01 -1.26 -4.89 113.70 112.34 2kkp s SER 71 Ca 0.56 0.13 0.07 0.00 1.31 0.00 0.00 55.95 58.03 2kkp s SER 71 Cb -0.12 -1.80 0.80 0.00 0.21 0.00 0.00 66.02 65.11 2kkp s SER 71 CO 0.51 0.10 1.77 -0.65 0.41 0.00 0.00 173.24 175.38 2kkp h PRO 72 N 2.60 0.68 -0.57 12.44 0.11 -1.98 -0.62 132.00 144.66 2kkp h PRO 72 Ca -0.47 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.63 2kkp h PRO 72 Cb 1.18 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2kkp h PRO 72 CO 0.70 0.45 0.34 1.79 -0.21 0.00 0.00 178.00 181.07 2kkp h THR 73 N 0.70 1.05 -0.26 -1.15 1.35 -1.99 -0.13 112.91 112.48 2kkp h THR 73 Ca 0.59 -0.23 -0.07 0.00 -0.55 0.00 0.00 66.41 66.16 2kkp h THR 73 Cb 1.01 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2kkp h THR 73 CO -0.40 0.12 -0.10 0.03 -0.25 0.00 0.00 175.52 174.93 2kkp h ARG 74 N 0.67 0.52 0.00 4.72 2.47 -1.55 -2.67 114.38 118.54 2kkp h ARG 74 Ca 0.23 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2kkp h ARG 74 Cb 0.03 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2kkp h ARG 74 CO -0.10 0.76 -0.19 -0.39 0.56 0.00 0.00 179.97 180.60 2kkp h VAL 75 N 0.25 0.48 -0.28 2.04 -1.51 -1.10 -1.93 116.25 114.21 2kkp h VAL 75 Ca 0.06 -1.02 -0.08 0.00 -1.23 0.00 0.00 66.70 64.43 2kkp h VAL 75 Cb 0.59 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 2kkp h VAL 75 CO 0.03 0.19 -0.15 -0.09 -1.23 0.00 0.00 177.57 176.32 2kkp h ARG 76 N 0.00 0.59 -0.58 5.19 2.43 -0.86 -1.93 114.38 119.22 2kkp h ARG 76 Ca -0.00 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 2kkp h ARG 76 Cb 0.70 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2kkp h ARG 76 CO 0.02 0.84 0.04 -0.92 -1.51 0.00 0.00 179.97 178.45 2kkp h TYR 77 N 0.33 1.03 -0.09 2.20 3.20 -1.11 -1.63 116.97 120.90 2kkp h TYR 77 Ca 0.06 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 2kkp h TYR 77 Cb 0.67 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2kkp h TYR 77 CO 0.06 0.91 -0.03 0.82 -1.64 0.00 0.00 178.16 178.28 2kkp h ILE 78 N 0.90 1.09 -0.34 1.81 2.04 -1.29 0.02 117.51 121.73 2kkp h ILE 78 Ca 0.17 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 2kkp h ILE 78 Cb 0.47 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2kkp h ILE 78 CO 0.02 0.11 -0.21 -0.74 0.00 0.00 0.00 178.15 177.33 2kkp h HIS 79 N 0.13 0.88 0.08 1.37 2.76 -0.49 -2.56 115.15 117.32 2kkp h HIS 79 Ca 0.03 -0.23 -0.26 0.00 -2.20 0.00 0.00 60.37 57.71 2kkp h HIS 79 Cb 0.15 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 28.92 2kkp h HIS 79 CO 0.00 0.97 -1.13 -0.39 -1.30 0.00 0.00 177.93 176.08 2kkp h VAL 80 N 0.53 1.42 -0.36 5.26 -1.51 -0.93 -2.75 116.25 117.91 2kkp h VAL 80 Ca 0.07 -2.72 -0.08 0.00 -1.23 0.00 0.00 66.70 62.75 2kkp h VAL 80 Cb 0.76 2.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.61 2kkp h VAL 80 CO 0.06 0.81 -0.10 1.62 -1.23 0.00 0.00 177.57 178.73 2kkp h VAL 81 N 0.17 1.24 -0.14 7.19 3.04 -1.07 0.36 116.25 127.04 2kkp h VAL 81 Ca -0.13 -1.05 -0.03 0.00 -1.01 0.00 0.00 66.70 64.48 2kkp h VAL 81 Cb 1.82 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 32.16 2kkp h VAL 81 CO 0.20 0.35 -0.02 0.25 -1.01 0.00 0.00 177.57 177.34 2kkp h LEU 82 N 0.57 0.27 -1.03 3.16 5.85 -1.46 -2.73 115.31 119.93 2kkp h LEU 82 Ca 0.10 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2kkp h LEU 82 Cb 0.51 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2kkp h LEU 82 CO 0.03 0.55 0.39 -0.74 -0.34 0.00 0.00 178.44 178.33 2kkp h HIS 83 N -0.02 1.07 0.63 1.25 2.76 -1.30 -1.70 115.15 117.83 2kkp h HIS 83 Ca 0.04 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2kkp h HIS 83 Cb 0.43 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2kkp h HIS 83 CO 0.05 0.76 -0.51 1.49 -1.30 0.00 0.00 177.93 178.41 2kkp h GLU 84 N 1.08 -1.07 0.00 5.26 4.57 -0.74 -2.47 114.58 121.21 2kkp h GLU 84 Ca 0.27 0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.39 2kkp h GLU 84 Cb 0.07 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2kkp h GLU 84 CO -0.04 -0.71 -0.61 0.00 -1.18 0.00 0.00 179.01 176.47 2kkp h ALA 85 N -1.01 0.78 0.00 2.92 0.00 -1.49 -3.00 119.26 117.46 2kkp h ALA 85 Ca -0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2kkp h ALA 85 Cb 0.93 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kkp h ALA 85 CO 0.01 0.77 -0.05 1.98 0.00 0.00 0.00 179.25 181.95 2kkp h MET 86 N 0.00 0.00 -0.21 0.00 1.85 -1.23 -2.72 114.93 112.63 2kkp h MET 86 Ca -0.01 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 2kkp h MET 86 Cb 1.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.27 2kkp h MET 86 CO 0.08 0.05 -0.18 0.77 -0.40 0.00 0.00 176.91 177.23 2kkp h SER 87 N 0.00 0.34 -0.25 1.39 0.02 -1.29 -2.15 113.55 111.62 2kkp h SER 87 Ca -0.00 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 2kkp h SER 87 Cb 0.52 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2kkp h SER 87 CO 0.01 0.55 -0.07 1.56 -1.14 0.00 0.00 176.83 177.73 2kkp h GLN 88 N 0.33 0.62 -0.34 3.45 7.50 -1.65 0.19 115.11 125.20 2kkp h GLN 88 Ca 0.06 -0.17 -0.11 0.00 0.50 0.00 0.00 58.65 58.93 2kkp h GLN 88 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 2kkp h GLN 88 CO 0.03 0.69 -0.24 0.00 -1.50 0.00 0.00 178.83 177.81 2kkp h ALA 89 N 1.35 0.93 -0.01 3.87 0.00 -1.55 -1.16 119.26 122.69 2kkp h ALA 89 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kkp h ALA 89 Cb 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kkp h ALA 89 CO 0.02 0.61 0.00 -0.09 0.00 0.00 0.00 179.25 179.80 2kkp h ARG 90 N 0.59 0.02 -0.89 0.00 2.43 -0.75 -1.91 114.38 113.88 2kkp h ARG 90 Ca 0.08 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2kkp h ARG 90 Cb 0.73 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2kkp h ARG 90 CO 0.06 0.22 0.58 0.93 -1.51 0.00 0.00 179.97 180.25 2kkp h GLU 91 N -0.19 1.11 0.00 0.20 5.08 -0.51 -1.29 114.58 118.97 2kkp h GLU 91 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kkp h GLU 91 Cb 0.21 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2kkp h GLU 91 CO -0.00 0.73 0.00 0.43 -1.00 0.00 0.00 179.01 179.17 2kkp n SER 92 N -4.51 0.00 0.00 1.42 7.64 -0.45 -4.82 113.62 112.89 2kkp n SER 92 Ca 0.11 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kkp n SER 92 Cb 0.07 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 93 N -0.28 0.88 0.29 0.23 0.00 -0.48 -4.91 105.19 100.91 2kkp n GLY 93 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2kkp n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kkp h LEU 94 N 0.00 1.04 -8.71 0.99 3.38 -1.56 -3.42 115.31 107.02 2kkp h LEU 94 Ca 0.00 -0.37 -0.69 0.00 0.09 0.00 0.00 57.88 56.91 2kkp h LEU 94 Cb 0.00 -0.28 -0.27 0.00 0.09 0.00 0.00 40.66 40.19 2kkp h LEU 94 CO 0.00 1.17 -0.82 -0.22 0.09 0.00 0.00 178.44 178.66 2kkp s LEU 95 N -9.16 2.41 0.17 1.67 2.96 -0.81 -4.74 118.68 111.19 2kkp s LEU 95 Ca -0.11 -0.35 0.23 0.00 -0.22 0.00 0.00 54.13 53.68 2kkp s LEU 95 Cb 0.13 -1.47 0.14 0.00 0.50 0.00 0.00 46.19 45.49 2kkp s LEU 95 CO 0.87 0.30 1.16 0.17 -1.32 0.00 0.00 176.35 177.53 2kkp h LEU 96 N 5.69 0.00 0.00 -0.68 -0.00 -1.84 -3.37 115.31 115.10 2kkp h LEU 96 Ca -0.40 -0.11 -0.34 0.00 -0.00 0.00 0.00 57.88 57.03 2kkp h LEU 96 Cb 1.16 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.73 2kkp h LEU 96 CO 0.49 0.05 -0.24 0.00 -0.00 0.00 0.00 178.44 178.74 2kkp n GLN 97 N -2.43 0.63 -3.51 0.17 10.64 -1.26 -5.10 117.38 116.52 2kkp n GLN 97 Ca 0.01 -3.01 -0.42 0.00 -1.83 0.00 0.00 57.00 51.76 2kkp n GLN 97 Cb 0.50 2.76 -0.07 0.00 -0.86 0.00 0.00 30.24 32.57 2kkp n GLN 97 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2kkp s ASN 98 N -3.26 5.91 0.38 2.61 2.47 -1.26 -4.83 114.94 116.96 2kkp s ASN 98 Ca 0.33 -2.30 0.27 0.00 0.42 0.00 0.00 52.86 51.58 2kkp s ASN 98 Cb -0.00 -2.04 1.00 0.00 -1.45 0.00 0.00 41.25 38.75 2kkp s ASN 98 CO 0.23 -0.61 1.80 -0.65 -3.72 0.00 0.00 177.10 174.16 2kkp h PRO 99 N 8.01 0.00 0.00 0.43 0.11 -1.98 -2.64 132.00 135.93 2kkp h PRO 99 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2kkp h PRO 99 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kkp h PRO 99 CO 0.82 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 181.02 2kkp n THR 100 N -2.66 0.76 0.12 -1.15 -1.04 -1.26 -1.86 114.28 107.19 2kkp n THR 100 Ca 0.02 0.11 -0.23 0.00 -2.04 0.00 0.00 64.05 61.91 2kkp n THR 100 Cb 0.33 -0.99 -0.14 0.00 -1.82 0.00 0.00 70.33 67.70 2kkp n THR 100 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kkp h GLU 101 N 0.00 0.55 -0.00 -2.82 4.57 -1.89 -3.23 114.58 111.76 2kkp h GLU 101 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 59.36 57.33 2kkp h GLU 101 Cb 0.44 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2kkp h GLU 101 CO 0.00 1.40 -0.12 0.00 -1.18 0.00 0.00 179.01 179.11 2kkp n ALA 102 N -2.69 2.76 -3.04 2.92 0.00 -1.00 -4.54 120.51 114.92 2kkp n ALA 102 Ca -0.15 -0.26 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 2kkp n ALA 102 Cb 1.05 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.54 3.45 -0.06 0.00 0.00 -0.78 -4.88 121.76 116.97 2kkp s ALA 103 Ca 0.27 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.72 2kkp s ALA 103 Cb 0.20 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2kkp s ALA 103 CO 0.49 -2.62 -0.03 0.15 0.00 0.00 0.00 175.76 173.75 2kkp s LYS 104 N 2.53 2.82 0.05 0.00 1.02 -1.26 -4.89 119.74 120.00 2kkp s LYS 104 Ca 0.21 -0.53 -0.31 0.00 0.02 0.00 0.00 55.97 55.36 2kkp s LYS 104 Cb -0.15 -2.67 -0.10 0.00 -0.52 0.00 0.00 37.83 34.40 2kkp s LYS 104 CO -0.01 0.67 1.91 -2.30 -0.92 0.00 0.00 175.35 174.70 2kkp n PRO 105 N 2.00 2.72 -2.66 -1.68 -0.02 -1.26 -4.87 135.00 129.23 2kkp n PRO 105 Ca -0.17 0.99 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 2kkp n PRO 105 Cb 0.53 -2.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 2kkp n PRO 105 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kkp s PRO 106 N 3.75 3.78 0.31 0.52 0.04 -1.26 -4.74 135.00 137.40 2kkp s PRO 106 Ca 0.87 -1.67 0.24 0.00 0.04 0.00 0.00 61.00 60.48 2kkp s PRO 106 Cb -0.50 -5.33 0.40 0.00 0.04 0.00 0.00 34.50 29.11 2kkp s PRO 106 CO 0.42 -2.12 1.53 -0.09 0.04 0.00 0.00 177.00 176.78 2kkp h ARG 107 N 8.62 0.00 -4.01 4.56 2.43 -2.03 -3.36 114.38 120.59 2kkp h ARG 107 Ca 0.29 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.75 2kkp h ARG 107 Cb 0.95 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 30.17 2kkp h ARG 107 CO 1.38 0.00 -0.37 -3.38 -1.51 0.00 0.00 179.97 176.09 2kkp s HIS 108 N -3.20 3.49 0.65 2.20 -3.43 -1.26 -5.09 115.29 108.65 2kkp s HIS 108 Ca 0.07 -2.35 -0.05 0.00 -0.80 0.00 0.00 55.06 51.93 2kkp s HIS 108 Cb 0.08 -3.35 0.05 0.00 -1.43 0.00 0.00 32.58 27.93 2kkp s HIS 108 CO 0.68 -0.93 0.94 -1.25 -2.00 0.00 0.00 174.74 172.18 2kkp s PRO 109 N 0.61 2.35 -0.00 -0.38 0.05 -1.26 -5.10 135.00 131.27 2kkp s PRO 109 Ca 0.12 -0.36 0.04 0.00 0.05 0.00 0.00 61.00 60.85 2kkp s PRO 109 Cb -0.21 -2.26 -0.03 0.00 0.05 0.00 0.00 34.50 32.05 2kkp s PRO 109 CO -0.03 -1.05 -0.12 -0.51 0.05 0.00 0.00 177.00 175.34 2kkp s LEU 110 N -5.10 2.91 0.47 -3.56 2.01 -1.26 -5.13 118.68 109.02 2kkp s LEU 110 Ca 0.59 -0.23 -0.02 0.00 0.01 0.00 0.00 54.13 54.48 2kkp s LEU 110 Cb -0.11 -1.67 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 2kkp s LEU 110 CO 0.43 0.30 0.72 -1.83 1.01 0.00 0.00 176.35 176.98 2kkp s GLU 111 N -1.22 3.23 -0.09 1.70 1.03 -1.26 -5.04 118.70 117.05 2kkp s GLU 111 Ca 0.15 -0.20 -0.30 0.00 0.03 0.00 0.00 54.97 54.65 2kkp s GLU 111 Cb -0.11 -2.48 -0.02 0.00 -0.80 0.00 0.00 34.13 30.73 2kkp s GLU 111 CO 0.05 -0.26 1.10 -3.38 -1.33 0.00 0.00 175.26 171.44 2kkp s HIS 112 N -2.64 3.35 -0.02 4.83 -3.43 -1.26 -5.00 115.29 111.11 2kkp s HIS 112 Ca 0.48 1.41 -0.25 0.00 -0.80 0.00 0.00 55.06 55.89 2kkp s HIS 112 Cb -0.10 -3.30 -0.04 0.00 -1.43 0.00 0.00 32.58 27.71 2kkp s HIS 112 CO 0.41 -0.74 0.78 -1.01 -2.00 0.00 0.00 174.74 172.17 2kkp s HIS 113 N 2.20 3.64 -1.41 0.38 3.76 -1.26 -4.93 115.29 117.67 2kkp s HIS 113 Ca 0.51 1.41 0.13 0.00 -0.15 0.00 0.00 55.06 56.97 2kkp s HIS 113 Cb -0.21 -2.87 0.26 0.00 1.11 0.00 0.00 32.58 30.87 2kkp s HIS 113 CO 0.19 0.13 1.14 1.58 -0.85 0.00 0.00 174.74 176.93 2kkp n HIS 114 N 3.50 0.31 0.00 1.40 -0.00 -1.26 -5.02 115.22 114.15 2kkp n HIS 114 Ca -0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.45 2kkp n HIS 114 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2kkp n HIS 114 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kkp n HIS 115 N 0.77 0.00 0.00 1.57 8.25 -1.26 -3.94 115.22 120.61 2kkp n HIS 115 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2kkp n HIS 115 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2kkp n HIS 115 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kkp n HIS 116 N 0.00 -1.29 0.77 4.41 -0.00 -1.26 -5.32 115.22 112.54 2kkp n HIS 116 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 2kkp n HIS 116 Cb 0.00 0.26 0.08 0.00 -0.12 0.00 0.00 29.99 30.20 2kkp n HIS 116 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52