#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 3.50 -0.18 1.12 1.01 -1.26 -4.77 121.20 120.61 2kkp s ILE 2 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2kkp s ILE 2 Cb 0.00 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 2kkp s ILE 2 CO 0.00 -1.19 -0.20 1.21 0.00 0.00 0.00 174.94 174.76 2kkp n GLU 3 N 9.11 0.43 -0.14 2.79 2.13 -1.26 -4.67 120.64 129.03 2kkp n GLU 3 Ca 0.23 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2kkp n GLU 3 Cb 0.50 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.94 2kkp n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2kkp n PRO 4 N -3.38 0.46 -3.15 5.31 -0.02 -1.26 -4.20 135.00 128.76 2kkp n PRO 4 Ca -0.34 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.19 2kkp n PRO 4 Cb 0.80 -1.27 -0.01 0.00 -0.02 0.00 0.00 33.50 33.01 2kkp n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kkp s SER 5 N 1.62 -0.53 -0.10 2.55 0.15 -1.26 -5.13 113.70 110.99 2kkp s SER 5 Ca 0.00 0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.75 2kkp s SER 5 Cb 0.00 1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 2kkp s SER 5 CO 0.00 -0.10 0.14 -0.54 1.20 0.00 0.00 173.24 173.94 2kkp s LYS 6 N 2.95 3.42 -0.73 5.44 1.02 -1.26 -4.65 119.74 125.92 2kkp s LYS 6 Ca 0.15 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 2kkp s LYS 6 Cb -0.06 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2kkp s LYS 6 CO -0.18 0.76 0.69 -0.89 -0.92 0.00 0.00 175.35 174.80 2kkp n ILE 7 N 1.85 -9.49 -3.64 2.17 5.41 -1.26 -4.75 119.36 109.65 2kkp n ILE 7 Ca -0.19 -0.16 -0.23 0.00 1.00 0.00 0.00 62.75 63.17 2kkp n ILE 7 Cb 0.55 -6.52 -0.00 0.00 -0.71 0.00 0.00 39.64 32.95 2kkp n ILE 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2kkp s THR 8 N -2.97 2.02 0.19 1.39 -4.23 -1.26 -4.30 115.64 106.49 2kkp s THR 8 Ca 0.01 -1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 59.06 2kkp s THR 8 Cb -0.00 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.58 2kkp s THR 8 CO 0.77 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 177.21 2kkp h VAL 9 N 0.72 1.24 -0.24 2.29 2.07 -1.14 -1.59 116.25 119.59 2kkp h VAL 9 Ca -0.37 -0.68 -0.14 0.00 0.82 0.00 0.00 66.70 66.34 2kkp h VAL 9 Cb 1.29 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2kkp h VAL 9 CO 0.54 0.28 -0.42 1.05 0.02 0.00 0.00 177.57 179.05 2kkp h GLU 10 N 0.99 0.58 -0.14 1.57 -0.00 -1.17 -0.06 114.58 116.36 2kkp h GLU 10 Ca 0.24 -0.30 -0.13 0.00 -0.00 0.00 0.00 59.36 59.17 2kkp h GLU 10 Cb 0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 2kkp h GLU 10 CO -0.03 0.89 -0.47 1.96 -0.00 0.00 0.00 179.01 181.36 2kkp h GLN 11 N 0.48 0.35 0.03 1.06 4.20 -1.76 0.32 115.11 119.79 2kkp h GLN 11 Ca 0.04 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2kkp h GLN 11 Cb 0.92 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2kkp h GLN 11 CO 0.08 0.75 -0.01 2.35 -0.67 0.00 0.00 178.83 181.33 2kkp h TRP 12 N 0.28 -0.03 -0.41 2.96 7.01 -0.92 -2.92 115.95 121.91 2kkp h TRP 12 Ca 0.02 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.93 2kkp h TRP 12 Cb 0.94 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 2kkp h TRP 12 CO 0.02 0.31 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.82 2kkp h LEU 13 N -0.38 0.70 -0.54 0.65 3.38 -0.91 -0.48 115.31 117.74 2kkp h LEU 13 Ca -0.00 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2kkp h LEU 13 Cb 0.36 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2kkp h LEU 13 CO 0.01 0.83 0.20 -1.13 0.09 0.00 0.00 178.44 178.44 2kkp h ASN 14 N 0.66 0.21 0.56 -0.43 -0.73 -0.33 0.57 115.58 116.09 2kkp h ASN 14 Ca 0.12 0.06 -0.28 0.00 1.87 0.00 0.00 56.30 58.07 2kkp h ASN 14 Cb 0.55 0.04 0.01 0.00 0.27 0.00 0.00 38.32 39.19 2kkp h ASN 14 CO 0.03 0.14 -1.25 0.03 -0.37 0.00 0.00 177.43 176.01 2kkp h ARG 15 N 0.39 0.32 0.31 6.67 3.08 -1.36 -2.73 114.38 121.06 2kkp h ARG 15 Ca 0.26 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2kkp h ARG 15 Cb 0.29 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2kkp h ARG 15 CO -0.26 1.24 -0.16 2.35 -1.07 0.00 0.00 179.97 182.07 2kkp h TRP 16 N 0.10 -0.42 -0.78 3.04 2.91 -0.63 -1.83 115.95 118.35 2kkp h TRP 16 Ca -0.15 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 59.90 2kkp h TRP 16 Cb 1.97 0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 30.71 2kkp h TRP 16 CO 0.07 -0.26 0.50 -0.07 -1.03 0.00 0.00 178.44 177.65 2kkp h LEU 17 N -0.44 0.82 -0.83 0.65 4.07 0.04 0.27 115.31 119.89 2kkp h LEU 17 Ca -0.04 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 2kkp h LEU 17 Cb 0.34 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 2kkp h LEU 17 CO 0.06 0.56 -0.13 0.74 -1.08 0.00 0.00 178.44 178.60 2kkp h THR 18 N 0.96 1.26 0.12 0.22 2.02 -1.35 -1.89 112.91 114.25 2kkp h THR 18 Ca 0.31 -1.17 -0.32 0.00 0.77 0.00 0.00 66.41 66.00 2kkp h THR 18 Cb 0.02 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2kkp h THR 18 CO -0.12 0.40 -1.71 -0.78 0.37 0.00 0.00 175.52 173.68 2kkp h ASP 19 N 0.67 0.40 -0.19 4.18 3.58 -0.95 -3.37 116.42 120.74 2kkp h ASP 19 Ca 0.11 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.69 2kkp h ASP 19 Cb 0.60 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2kkp h ASP 19 CO 0.04 1.74 0.00 -1.22 -2.88 0.00 0.00 179.24 176.92 2kkp n TYR 20 N -3.73 0.24 0.45 0.28 4.02 0.91 -4.09 117.16 115.24 2kkp n TYR 20 Ca -0.29 -0.12 -0.18 0.00 -0.01 0.00 0.00 57.90 57.30 2kkp n TYR 20 Cb 0.97 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.20 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 4.03 -1.16 -1.89 -0.72 0.00 -1.50 -3.49 119.26 114.54 2kkp h ALA 21 Ca 0.00 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 54.86 2kkp h ALA 21 Cb 0.50 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2kkp h ALA 21 CO 0.00 -1.09 -0.54 1.63 0.00 0.00 0.00 179.25 179.25 2kkp n LYS 22 N -5.55 -1.77 -1.65 0.00 5.02 -1.26 -4.87 118.16 108.09 2kkp n LYS 22 Ca -0.15 1.34 -0.40 0.00 -2.02 0.00 0.00 58.31 57.08 2kkp n LYS 22 Cb 0.46 -2.10 0.02 0.00 -0.02 0.00 0.00 35.03 33.39 2kkp n LYS 22 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kkp n PRO 23 N -3.48 1.51 -2.42 1.97 -0.04 -1.26 -4.85 135.00 126.43 2kkp n PRO 23 Ca -0.03 0.55 -0.39 0.00 -0.04 0.00 0.00 63.50 63.59 2kkp n PRO 23 Cb 0.38 -2.22 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 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 -0.61 4.12 -4.09 0.54 8.25 -1.26 -4.87 115.22 117.29 2kkp n HIS 24 Ca 0.09 -2.46 -0.20 0.00 -0.26 0.00 0.00 57.72 54.88 2kkp n HIS 24 Cb 0.41 -2.63 -0.17 0.00 1.12 0.00 0.00 29.99 28.72 2kkp n HIS 24 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kkp s LEU 25 N 6.05 1.22 -1.74 2.41 2.96 -1.26 -4.68 118.68 123.63 2kkp s LEU 25 Ca 0.58 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2kkp s LEU 25 Cb 0.03 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.27 2kkp s LEU 25 CO 0.09 -0.08 0.00 0.54 -1.32 0.00 0.00 176.35 175.59 2kkp n ARG 26 N 4.23 -1.25 -0.36 1.98 5.12 -1.26 -4.89 116.66 120.23 2kkp n ARG 26 Ca -0.22 1.04 0.02 0.00 -1.93 0.00 0.00 57.85 56.76 2kkp n ARG 26 Cb 0.51 -5.33 0.17 0.00 -1.16 0.00 0.00 32.46 26.64 2kkp n ARG 26 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 2kkp h GLN 27 N 0.00 1.13 -4.48 5.56 3.07 -1.90 -3.46 115.11 115.03 2kkp h GLN 27 Ca -0.37 -0.07 -0.32 0.00 0.09 0.00 0.00 58.65 57.98 2kkp h GLN 27 Cb 1.18 -0.25 -0.03 0.00 0.08 0.00 0.00 27.48 28.46 2kkp h GLN 27 CO 0.51 0.74 -0.45 0.43 0.09 0.00 0.00 178.83 180.15 2kkp n SER 28 N -4.51 -4.23 -3.88 0.06 7.64 -1.26 -0.41 113.62 107.03 2kkp n SER 28 Ca 0.15 -0.09 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 2kkp n SER 28 Cb 0.18 -3.52 -0.01 0.00 -1.01 0.00 0.00 64.21 59.84 2kkp n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2kkp n THR 29 N -3.77 -1.15 -2.03 0.44 -2.24 -1.26 -4.85 114.28 99.41 2kkp n THR 29 Ca -0.10 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.29 2kkp n THR 29 Cb 0.59 -1.88 -0.03 0.00 -2.10 0.00 0.00 70.33 66.91 2kkp n THR 29 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2kkp s TRP 30 N -3.15 1.71 0.00 4.78 -0.11 0.45 -4.51 118.94 118.12 2kkp s TRP 30 Ca 0.62 0.77 0.00 0.00 1.22 0.00 0.00 56.10 58.70 2kkp s TRP 30 Cb -0.33 -4.09 0.00 0.00 -1.50 0.00 0.00 33.47 27.55 2kkp s TRP 30 CO 0.76 -2.45 0.69 -0.85 -4.62 0.00 0.00 176.95 170.48 2kkp n GLU 31 N 8.95 0.00 -0.01 5.86 0.28 -1.26 -4.95 120.64 129.51 2kkp n GLU 31 Ca 0.21 -0.47 -0.10 0.00 -0.16 0.00 0.00 57.16 56.64 2kkp n GLU 31 Cb 0.51 0.26 -0.04 0.00 1.43 0.00 0.00 31.44 33.59 2kkp n GLU 31 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2kkp h SER 32 N 0.00 -0.18 0.92 -1.84 0.02 -1.99 -0.79 113.55 109.70 2kkp h SER 32 Ca -0.27 0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 60.50 2kkp h SER 32 Cb 1.13 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 2kkp h SER 32 CO -0.14 -0.07 -1.06 0.10 -1.14 0.00 0.00 176.83 174.52 2kkp h TYR 33 N -0.04 0.08 0.39 3.45 -0.00 -1.99 -3.35 116.97 115.52 2kkp h TYR 33 Ca 0.07 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2kkp h TYR 33 Cb 0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.84 2kkp h TYR 33 CO -0.18 1.05 -0.40 0.93 -0.00 0.00 0.00 178.16 179.55 2kkp h GLU 34 N 0.01 -0.79 0.29 0.10 4.39 -1.81 -2.04 114.58 114.73 2kkp h GLU 34 Ca -0.04 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2kkp h GLU 34 Cb 1.81 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 30.62 2kkp h GLU 34 CO 0.14 -0.52 -0.31 1.79 -1.16 0.00 0.00 179.01 178.94 2kkp h THR 35 N -0.82 0.00 -0.91 1.13 1.35 -1.30 -0.34 112.91 112.02 2kkp h THR 35 Ca -0.03 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.91 2kkp h THR 35 Cb 0.73 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.09 2kkp h THR 35 CO -0.07 0.00 0.59 -0.37 -0.25 0.00 0.00 175.52 175.42 2kkp h VAL 36 N -0.61 1.02 0.37 6.82 -1.51 -1.69 -0.35 116.25 120.31 2kkp h VAL 36 Ca -0.04 -0.34 -0.02 0.00 -1.23 0.00 0.00 66.70 65.08 2kkp h VAL 36 Cb 0.53 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 2kkp h VAL 36 CO -0.05 0.18 -0.18 0.25 -1.23 0.00 0.00 177.57 176.54 2kkp h LEU 37 N 0.98 -0.42 -0.71 4.19 5.85 -1.16 -2.51 115.31 121.53 2kkp h LEU 37 Ca 0.41 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.18 2kkp h LEU 37 Cb 0.29 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2kkp h LEU 37 CO -0.17 -0.22 0.43 0.08 -0.34 0.00 0.00 178.44 178.23 2kkp h ARG 38 N -0.66 0.79 -0.70 1.25 0.11 -0.95 0.17 114.38 114.39 2kkp h ARG 38 Ca -0.05 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 2kkp h ARG 38 Cb 0.38 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.25 2kkp h ARG 38 CO 0.08 0.53 0.31 1.25 0.10 0.00 0.00 179.97 182.24 2kkp h LEU 39 N 0.82 0.93 0.00 0.08 5.85 -1.15 -3.02 115.31 118.82 2kkp h LEU 39 Ca 0.30 -0.15 -0.40 0.00 0.84 0.00 0.00 57.88 58.46 2kkp h LEU 39 Cb 0.09 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 2kkp h LEU 39 CO -0.14 0.83 -2.49 1.41 -0.34 0.00 0.00 178.44 177.71 2kkp n HIS 40 N -4.41 0.00 0.33 1.25 8.25 -0.95 -4.69 115.22 115.00 2kkp n HIS 40 Ca 0.05 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.62 2kkp n HIS 40 Cb 0.15 -0.99 -0.15 0.00 1.12 0.00 0.00 29.99 30.12 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 -3.47 0.00 0.04 1.59 0.24 0.55 -4.31 118.33 112.97 2kkp n VAL 41 Ca -0.48 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.39 2kkp n VAL 41 Cb 0.96 0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.00 0.97 0.00 1.34 1.08 -1.51 0.29 117.51 119.67 2kkp h ILE 42 Ca 0.00 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2kkp h ILE 42 Cb 0.81 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 2kkp h ILE 42 CO 0.00 0.25 0.00 -2.65 -0.69 0.00 0.00 178.15 175.06 2kkp n PRO 43 N -4.90 0.05 -0.01 2.37 -0.02 -1.26 -1.15 135.00 130.08 2kkp n PRO 43 Ca -0.08 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 2kkp n PRO 43 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2kkp n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kkp n THR 44 N -1.43 0.35 0.23 3.45 -2.24 -1.20 -4.81 114.28 108.63 2kkp n THR 44 Ca 0.03 0.30 0.11 0.00 -2.27 0.00 0.00 64.05 62.22 2kkp n THR 44 Cb 0.10 -1.51 -0.12 0.00 -2.10 0.00 0.00 70.33 66.70 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 -2.90 0.32 -0.01 3.22 7.99 0.72 -4.31 117.00 122.03 2kkp n LEU 45 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 2kkp n LEU 45 Cb 0.08 -0.02 0.31 0.00 -0.11 0.00 0.00 43.42 43.69 2kkp n LEU 45 CO 0.03 0.02 0.98 1.23 -1.51 0.00 0.00 177.39 178.15 2kkp h GLY 46 N 4.22 0.58 0.24 -0.72 0.00 0.80 -0.81 103.07 107.37 2kkp h GLY 46 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2kkp h GLY 46 CO 0.00 0.30 0.00 1.44 0.00 0.00 0.00 176.54 178.28 2kkp n SER 47 N -4.31 0.00 -4.34 0.19 7.64 -1.10 -0.61 113.62 111.09 2kkp n SER 47 Ca 0.02 -1.58 -0.32 0.00 1.01 0.00 0.00 58.87 58.00 2kkp n SER 47 Cb 0.21 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.00 2.58 0.52 0.44 1.01 -0.31 -4.88 121.20 118.56 2kkp s ILE 48 Ca 0.10 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 2kkp s ILE 48 Cb 0.05 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 2kkp s ILE 48 CO 0.08 0.56 1.37 -2.84 0.00 0.00 0.00 174.94 174.10 2kkp s PRO 49 N -0.02 3.26 0.52 2.79 0.02 -1.26 -2.84 135.00 137.47 2kkp s PRO 49 Ca -0.06 2.26 0.28 0.00 0.02 0.00 0.00 61.00 63.51 2kkp s PRO 49 Cb -0.15 -2.34 1.39 0.00 0.02 0.00 0.00 34.50 33.42 2kkp s PRO 49 CO 0.05 -1.10 2.03 -0.07 -0.33 0.00 0.00 177.00 177.57 2kkp h LEU 50 N 1.65 0.00 0.00 -5.54 4.07 -1.86 0.38 115.31 114.01 2kkp h LEU 50 Ca -0.51 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.45 2kkp h LEU 50 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 2kkp h LEU 50 CO 0.58 0.12 0.00 0.29 -1.08 0.00 0.00 178.44 178.35 2kkp n LYS 51 N -3.49 0.52 0.00 1.13 4.01 -1.26 -1.53 118.16 117.54 2kkp n LYS 51 Ca -0.01 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 2kkp n LYS 51 Cb 0.28 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.30 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2kkp n LYS 52 N -1.09 1.76 -2.18 1.97 4.81 0.10 -5.00 118.16 118.53 2kkp n LYS 52 Ca 0.13 -1.13 -0.39 0.00 -0.87 0.00 0.00 58.31 56.06 2kkp n LYS 52 Cb 0.10 -0.92 -0.03 0.00 0.02 0.00 0.00 35.03 34.20 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 -0.65 3.25 -0.02 3.14 1.98 -0.58 -4.96 118.68 120.84 2kkp s LEU 53 Ca 0.00 0.05 -0.13 0.00 -2.89 0.00 0.00 54.13 51.17 2kkp s LEU 53 Cb 0.00 -2.54 -0.05 0.00 0.66 0.00 0.00 46.19 44.26 2kkp s LEU 53 CO 0.00 -2.25 0.35 -1.10 -1.89 0.00 0.00 176.35 171.46 2kkp s GLN 54 N 6.68 3.79 0.41 1.98 -0.21 -1.26 -4.96 119.66 126.09 2kkp s GLN 54 Ca 0.59 0.27 0.07 0.00 0.02 0.00 0.00 55.36 56.30 2kkp s GLN 54 Cb -0.11 -3.19 0.84 0.00 1.00 0.00 0.00 33.01 31.55 2kkp s GLN 54 CO 0.18 0.70 2.05 -1.35 -2.12 0.00 0.00 175.29 174.75 2kkp h PRO 55 N 4.67 0.56 -0.89 2.91 0.11 -1.93 -2.09 132.00 135.33 2kkp h PRO 55 Ca -0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 2kkp h PRO 55 Cb 1.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2kkp h PRO 55 CO 0.61 0.37 0.52 0.00 -0.21 0.00 0.00 178.00 179.29 2kkp h ALA 56 N 1.73 1.23 -0.05 -0.75 0.00 -1.94 -0.07 119.26 119.42 2kkp h ALA 56 Ca 0.15 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2kkp h ALA 56 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2kkp h ALA 56 CO -0.03 0.64 -0.61 -0.44 0.00 0.00 0.00 179.25 178.81 2kkp h ASP 57 N 1.24 0.20 -0.28 0.00 5.19 -1.81 0.45 116.42 121.41 2kkp h ASP 57 Ca 0.32 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 2kkp h ASP 57 Cb -0.02 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2kkp h ASP 57 CO -0.06 0.76 0.06 0.40 -3.12 0.00 0.00 179.24 177.29 2kkp h ILE 58 N 0.13 1.22 -0.58 0.35 2.04 -0.97 -0.12 117.51 119.58 2kkp h ILE 58 Ca -0.01 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 2kkp h ILE 58 Cb 1.11 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2kkp h ILE 58 CO 0.09 0.24 0.10 -0.61 0.00 0.00 0.00 178.15 177.97 2kkp h GLN 59 N 0.28 0.93 -0.82 2.37 4.15 -0.82 -1.98 115.11 119.22 2kkp h GLN 59 Ca 0.09 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2kkp h GLN 59 Cb 0.31 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 2kkp h GLN 59 CO 0.00 0.86 0.48 -0.09 -1.93 0.00 0.00 178.83 178.15 2kkp h ARG 60 N 0.88 1.13 -0.40 1.69 2.43 -0.70 -1.49 114.38 117.92 2kkp h ARG 60 Ca 0.18 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2kkp h ARG 60 Cb 0.37 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2kkp h ARG 60 CO 0.01 0.80 0.19 1.25 -1.51 0.00 0.00 179.97 180.71 2kkp h LEU 61 N 1.14 0.27 -0.21 3.80 7.12 -0.27 0.19 115.31 127.35 2kkp h LEU 61 Ca 0.29 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.32 2kkp h LEU 61 Cb -0.02 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 2kkp h LEU 61 CO -0.05 0.20 0.09 1.88 -0.13 0.00 0.00 178.44 180.43 2kkp h TYR 62 N 0.39 0.31 -0.64 1.25 0.05 -1.02 -1.29 116.97 116.01 2kkp h TYR 62 Ca 0.17 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 2kkp h TYR 62 Cb 0.09 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2kkp h TYR 62 CO -0.11 0.34 0.28 0.00 -1.05 0.00 0.00 178.16 177.62 2kkp h ALA 63 N 0.94 0.83 -0.51 3.88 0.00 -0.95 0.41 119.26 123.86 2kkp h ALA 63 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2kkp h ALA 63 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kkp h ALA 63 CO -0.01 0.42 -0.15 1.03 0.00 0.00 0.00 179.25 180.55 2kkp h SER 64 N 0.90 1.00 1.82 0.00 0.87 -0.52 -2.49 113.55 115.14 2kkp h SER 64 Ca 0.22 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2kkp h SER 64 Cb 0.16 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2kkp h SER 64 CO -0.02 1.13 -0.03 0.11 -0.53 0.00 0.00 176.83 177.49 2kkp h LYS 65 N 0.87 0.00 -0.56 2.24 6.56 -1.01 -2.18 116.57 122.48 2kkp h LYS 65 Ca 0.13 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.66 2kkp h LYS 65 Cb 0.72 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 2kkp h LYS 65 CO 0.05 0.03 0.12 1.25 -2.06 0.00 0.00 179.45 178.85 2kkp h LEU 66 N 0.00 0.86 -1.65 2.94 5.85 -0.64 -2.27 115.31 120.40 2kkp h LEU 66 Ca -0.00 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2kkp h LEU 66 Cb 0.95 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2kkp h LEU 66 CO 0.00 0.89 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.46 2kkp h GLU 67 N 0.81 0.00 0.00 1.25 4.39 -1.04 -1.66 114.58 118.33 2kkp h GLU 67 Ca 0.17 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2kkp h GLU 67 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kkp h GLU 67 CO 0.01 0.20 -0.07 0.77 -1.16 0.00 0.00 179.01 178.75 2kkp h SER 68 N 0.00 0.00 0.00 1.42 0.02 -0.84 -3.46 113.55 110.69 2kkp h SER 68 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkp h SER 68 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kkp h SER 68 CO 0.03 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 2kkp n GLY 69 N -0.34 1.75 3.70 -3.77 0.00 -0.62 -5.09 105.19 100.82 2kkp n GLY 69 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.27 0.56 0.99 1.43 -0.98 -5.04 118.68 119.91 2kkp s LEU 70 Ca 0.00 1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 54.06 2kkp s LEU 70 Cb 0.00 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 2kkp s LEU 70 CO 0.00 -0.18 1.11 -0.94 0.23 0.00 0.00 176.35 176.57 2kkp s SER 71 N 0.90 5.74 0.39 2.29 1.04 -1.26 -4.62 113.70 118.18 2kkp s SER 71 Ca 0.37 2.08 0.16 0.00 0.48 0.00 0.00 55.95 59.04 2kkp s SER 71 Cb -0.17 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.42 2kkp s SER 71 CO 0.16 -1.20 1.79 1.55 0.98 0.00 0.00 173.24 176.52 2kkp h PRO 72 N 1.02 0.44 -0.16 4.02 0.13 -1.98 -0.08 132.00 135.38 2kkp h PRO 72 Ca -0.49 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 2kkp h PRO 72 Cb 1.25 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kkp h PRO 72 CO 0.57 0.29 -0.43 1.79 -0.23 0.00 0.00 178.00 179.99 2kkp h THR 73 N 0.45 1.31 -0.04 1.56 1.35 -1.98 0.27 112.91 115.84 2kkp h THR 73 Ca 0.57 -1.60 -0.23 0.00 -0.55 0.00 0.00 66.41 64.60 2kkp h THR 73 Cb 1.35 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 69.44 2kkp h THR 73 CO -0.29 0.49 -0.92 0.03 -0.25 0.00 0.00 175.52 174.58 2kkp h ARG 74 N 0.32 0.57 -0.37 4.72 2.47 -1.41 -1.45 114.38 119.24 2kkp h ARG 74 Ca 0.03 -0.57 -0.09 0.00 -1.26 0.00 0.00 59.98 58.09 2kkp h ARG 74 Cb 0.89 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 2kkp h ARG 74 CO 0.07 1.19 -0.12 0.28 0.56 0.00 0.00 179.97 181.95 2kkp h VAL 75 N 0.34 1.25 -0.55 2.04 2.07 -1.17 -1.10 116.25 119.14 2kkp h VAL 75 Ca -0.09 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.33 2kkp h VAL 75 Cb 1.56 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2kkp h VAL 75 CO 0.17 0.38 0.33 -0.09 0.02 0.00 0.00 177.57 178.38 2kkp h ARG 76 N 0.59 0.65 -0.28 1.57 2.43 -0.29 0.70 114.38 119.76 2kkp h ARG 76 Ca 0.10 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2kkp h ARG 76 Cb 0.56 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2kkp h ARG 76 CO 0.04 0.43 0.13 -0.92 -1.51 0.00 0.00 179.97 178.13 2kkp h TYR 77 N 0.67 0.40 -0.98 2.20 3.20 -0.88 -1.87 116.97 119.70 2kkp h TYR 77 Ca 0.22 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.13 2kkp h TYR 77 Cb 0.01 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 2kkp h TYR 77 CO -0.06 0.37 0.64 0.82 -1.64 0.00 0.00 178.16 178.29 2kkp h ILE 78 N 0.31 1.07 -0.58 1.81 2.04 -0.81 0.15 117.51 121.50 2kkp h ILE 78 Ca 0.09 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2kkp h ILE 78 Cb 0.13 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 2kkp h ILE 78 CO -0.01 0.21 0.21 -0.74 0.00 0.00 0.00 178.15 177.81 2kkp h HIS 79 N 1.13 0.87 -0.02 1.37 2.76 -0.49 -0.13 115.15 120.64 2kkp h HIS 79 Ca 0.43 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 58.42 2kkp h HIS 79 Cb 0.20 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 28.90 2kkp h HIS 79 CO -0.00 0.69 -0.45 0.28 -1.30 0.00 0.00 177.93 177.15 2kkp h VAL 80 N 0.84 1.45 -0.40 5.26 2.07 -0.36 -1.57 116.25 123.54 2kkp h VAL 80 Ca 0.20 -1.96 -0.14 0.00 0.82 0.00 0.00 66.70 65.62 2kkp h VAL 80 Cb 0.20 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2kkp h VAL 80 CO -0.01 0.56 -0.29 1.62 0.02 0.00 0.00 177.57 179.47 2kkp h VAL 81 N -0.20 1.27 -0.20 2.57 3.04 -0.68 0.07 116.25 122.11 2kkp h VAL 81 Ca -0.05 -1.45 -0.14 0.00 -1.01 0.00 0.00 66.70 64.05 2kkp h VAL 81 Cb 1.16 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 2kkp h VAL 81 CO 0.09 0.49 -0.45 0.25 -1.01 0.00 0.00 177.57 176.93 2kkp h LEU 82 N 0.74 0.55 -0.12 3.16 5.85 -1.11 -1.59 115.31 122.78 2kkp h LEU 82 Ca 0.08 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.56 2kkp h LEU 82 Cb 0.85 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2kkp h LEU 82 CO 0.07 0.93 0.01 -0.74 -0.34 0.00 0.00 178.44 178.37 2kkp h HIS 83 N 0.41 0.02 0.58 1.25 2.76 -0.94 -1.75 115.15 117.49 2kkp h HIS 83 Ca 0.03 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2kkp h HIS 83 Cb 0.95 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 2kkp h HIS 83 CO 0.04 0.00 -0.35 1.49 -1.30 0.00 0.00 177.93 177.81 2kkp h GLU 84 N 0.06 -0.85 -0.50 5.26 4.57 -0.76 -1.17 114.58 121.19 2kkp h GLU 84 Ca 0.05 0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2kkp h GLU 84 Cb 0.05 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 2kkp h GLU 84 CO -0.08 -0.57 0.23 0.00 -1.18 0.00 0.00 179.01 177.41 2kkp h ALA 85 N -0.53 0.64 0.00 2.92 0.00 -1.28 -1.64 119.26 119.37 2kkp h ALA 85 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kkp h ALA 85 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kkp h ALA 85 CO 0.08 -0.14 0.00 0.52 0.00 0.00 0.00 179.25 179.70 2kkp h MET 86 N 0.44 0.00 -0.26 0.00 2.86 -1.25 -1.39 114.93 115.33 2kkp h MET 86 Ca 0.23 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 2kkp h MET 86 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2kkp h MET 86 CO -0.19 0.00 -0.37 0.77 1.06 0.00 0.00 176.91 178.18 2kkp h SER 87 N 0.00 0.77 -0.45 1.22 0.02 -0.25 0.84 113.55 115.70 2kkp h SER 87 Ca 0.00 -0.51 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 2kkp h SER 87 Cb 0.70 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2kkp h SER 87 CO 0.00 1.13 -0.10 1.56 -1.14 0.00 0.00 176.83 178.27 2kkp h GLN 88 N 0.43 0.86 -1.01 3.45 1.08 -1.15 -1.17 115.11 117.60 2kkp h GLN 88 Ca 0.03 -0.33 0.01 0.00 -1.45 0.00 0.00 58.65 56.91 2kkp h GLN 88 Cb 0.95 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.28 2kkp h GLN 88 CO 0.09 0.97 0.67 0.00 -0.95 0.00 0.00 178.83 179.60 2kkp h ALA 89 N 0.87 1.29 0.53 3.87 0.00 -1.22 -1.19 119.26 123.41 2kkp h ALA 89 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kkp h ALA 89 Cb 0.65 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kkp h ALA 89 CO 0.04 0.65 -0.30 -0.09 0.00 0.00 0.00 179.25 179.56 2kkp h ARG 90 N 1.35 -0.75 0.00 0.00 2.43 -0.49 -2.82 114.38 114.11 2kkp h ARG 90 Ca 0.38 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2kkp h ARG 90 Cb -0.13 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2kkp h ARG 90 CO -0.09 -0.50 0.00 0.93 -1.51 0.00 0.00 179.97 178.81 2kkp h GLU 91 N -0.77 0.00 -0.01 0.20 5.08 -0.95 0.04 114.58 118.16 2kkp h GLU 91 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kkp h GLU 91 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2kkp h GLU 91 CO 0.08 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.52 2kkp n SER 92 N -2.82 0.49 -0.09 1.42 7.64 -0.47 -4.90 113.62 114.89 2kkp n SER 92 Ca -0.01 -1.19 -0.01 0.00 1.01 0.00 0.00 58.87 58.68 2kkp n SER 92 Cb 0.18 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 1.05 0.42 0.91 0.23 0.00 -0.00 -4.84 105.19 102.96 2kkp n GLY 93 Ca 0.22 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.14 2.90 0.00 0.99 -0.00 -1.13 -4.80 117.00 114.82 2kkp n LEU 94 Ca -0.01 -0.99 0.00 0.00 -0.00 0.00 0.00 56.01 55.00 2kkp n LEU 94 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2kkp n LEU 94 CO 0.02 0.49 0.00 -0.11 -0.00 0.00 0.00 177.39 177.79 2kkp n LEU 95 N 1.26 0.00 0.00 1.47 7.94 -1.19 -4.59 117.00 121.90 2kkp n LEU 95 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2kkp n LEU 95 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2kkp n LEU 95 CO 0.15 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.32 2kkp n LEU 96 N 0.00 0.00 0.00 -1.96 7.94 -1.26 -4.74 117.00 116.98 2kkp n LEU 96 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2kkp n LEU 96 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2kkp n LEU 96 CO 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 177.39 176.29 2kkp n GLN 97 N 0.00 0.07 -3.57 1.96 6.02 -1.26 -4.99 117.38 115.60 2kkp n GLN 97 Ca 0.00 -0.34 -0.40 0.00 -0.01 0.00 0.00 57.00 56.24 2kkp n GLN 97 Cb 0.00 0.31 -0.08 0.00 1.02 0.00 0.00 30.24 31.49 2kkp n GLN 97 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kkp s ASN 98 N -1.25 5.75 0.29 1.08 4.22 -1.26 -4.69 114.94 119.07 2kkp s ASN 98 Ca 0.04 -2.39 0.24 0.00 -2.14 0.00 0.00 52.86 48.61 2kkp s ASN 98 Cb 0.00 -1.99 0.42 0.00 1.28 0.00 0.00 41.25 40.96 2kkp s ASN 98 CO 0.03 -0.56 1.52 1.55 -2.04 0.00 0.00 177.10 177.60 2kkp h PRO 99 N 7.83 0.00 0.00 3.55 0.13 -1.92 -3.23 132.00 138.36 2kkp h PRO 99 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2kkp h PRO 99 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kkp h PRO 99 CO 0.78 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.34 2kkp h THR 100 N 0.00 0.00 0.00 1.56 1.35 -1.90 -0.37 112.91 113.55 2kkp h THR 100 Ca 0.00 -0.63 -0.22 0.00 -0.55 0.00 0.00 66.41 65.01 2kkp h THR 100 Cb 0.89 1.59 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 2kkp h THR 100 CO 0.00 0.00 -1.64 1.21 -0.25 0.00 0.00 175.52 174.84 2kkp n GLU 101 N -2.89 0.63 0.08 4.72 2.13 -1.22 -4.08 120.64 120.01 2kkp n GLU 101 Ca 0.02 0.20 -0.05 0.00 0.66 0.00 0.00 57.16 58.00 2kkp n GLU 101 Cb 0.38 -1.76 -0.08 0.00 0.27 0.00 0.00 31.44 30.25 2kkp n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kkp h ALA 102 N 1.27 0.43 -2.89 4.31 0.00 -1.51 -3.44 119.26 117.43 2kkp h ALA 102 Ca -0.24 -0.81 -0.61 0.00 0.00 0.00 0.00 54.91 53.25 2kkp h ALA 102 Cb 1.77 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 2kkp h ALA 102 CO 0.05 1.11 -0.31 0.00 0.00 0.00 0.00 179.25 180.10 2kkp s ALA 103 N -2.79 3.67 0.10 0.00 0.00 -0.18 -5.09 121.76 117.48 2kkp s ALA 103 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2kkp s ALA 103 Cb 0.10 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2kkp s ALA 103 CO 0.80 0.30 -0.16 0.15 0.00 0.00 0.00 175.76 176.85 2kkp s LYS 104 N -0.24 1.00 0.18 0.00 3.01 -1.26 -4.81 119.74 117.62 2kkp s LYS 104 Ca 0.19 -1.14 -0.14 0.00 -1.01 0.00 0.00 55.97 53.86 2kkp s LYS 104 Cb -0.14 -1.02 0.17 0.00 -1.01 0.00 0.00 37.83 35.82 2kkp s LYS 104 CO 0.07 0.22 1.70 -1.35 0.51 0.00 0.00 175.35 176.49 2kkp h PRO 105 N 3.88 0.14 0.00 -1.68 0.11 -1.95 -3.44 132.00 129.06 2kkp h PRO 105 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2kkp h PRO 105 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kkp h PRO 105 CO 0.45 0.09 0.00 -2.30 -0.21 0.00 0.00 178.00 176.03 2kkp n PRO 106 N -5.19 0.02 0.00 1.05 -0.02 -1.26 -4.81 135.00 124.79 2kkp n PRO 106 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2kkp n PRO 106 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 2kkp n PRO 106 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kkp n ARG 107 N -0.98 0.00 -3.11 -0.52 1.74 -1.26 -5.02 116.66 107.50 2kkp n ARG 107 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2kkp n ARG 107 Cb 0.00 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 2kkp n ARG 107 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2kkp s HIS 108 N 0.00 -0.79 0.00 -1.55 -3.43 -1.26 -4.89 115.29 103.37 2kkp s HIS 108 Ca 0.00 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2kkp s HIS 108 Cb 0.00 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2kkp s HIS 108 CO 0.00 -0.47 0.00 -0.35 -2.00 0.00 0.00 174.74 171.92 2kkp n PRO 109 N 5.00 2.72 -0.77 -0.38 -0.04 -1.26 -4.87 135.00 135.40 2kkp n PRO 109 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 2kkp n PRO 109 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 2kkp n PRO 109 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kkp n LEU 110 N 0.00 4.32 0.11 1.53 -0.00 -1.26 -4.53 117.00 117.17 2kkp n LEU 110 Ca 0.00 -2.61 -0.05 0.00 -0.00 0.00 0.00 56.01 53.35 2kkp n LEU 110 Cb 0.00 -1.14 -0.02 0.00 -0.00 0.00 0.00 43.42 42.26 2kkp n LEU 110 CO 0.00 1.25 0.22 -0.08 -0.00 0.00 0.00 177.39 178.78 2kkp h GLU 111 N 3.28 -0.31 -2.25 1.47 4.81 -2.03 -3.45 114.58 116.11 2kkp h GLU 111 Ca 0.14 0.02 -0.44 0.00 -0.13 0.00 0.00 59.36 58.95 2kkp h GLU 111 Cb 1.20 0.07 -0.35 0.00 0.63 0.00 0.00 28.75 30.30 2kkp h GLU 111 CO 0.24 -0.20 -0.73 -1.58 -0.73 0.00 0.00 179.01 176.01 2kkp s HIS 112 N -2.70 0.02 0.00 0.92 5.04 -1.26 -4.90 115.29 112.41 2kkp s HIS 112 Ca -0.05 -0.93 0.00 0.00 -1.54 0.00 0.00 55.06 52.54 2kkp s HIS 112 Cb 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 32.58 32.02 2kkp s HIS 112 CO 0.14 -0.91 0.00 -2.39 -2.34 0.00 0.00 174.74 169.24 2kkp n HIS 113 N 4.49 0.00 -2.91 3.88 1.44 -1.24 -4.76 115.22 116.11 2kkp n HIS 113 Ca 0.07 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.35 2kkp n HIS 113 Cb 0.43 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.54 2kkp n HIS 113 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kkp n HIS 114 N -0.45 2.93 0.00 -1.40 -0.00 -1.26 -3.99 115.22 111.06 2kkp n HIS 114 Ca 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 57.72 54.88 2kkp n HIS 114 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 29.99 28.49 2kkp n HIS 114 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kkp n HIS 115 N 2.21 0.00 -3.61 1.57 -0.00 -1.26 -5.11 115.22 109.03 2kkp n HIS 115 Ca 0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.86 2kkp n HIS 115 Cb 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.27 2kkp n HIS 115 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kkp s HIS 116 N 0.00 -0.68 -2.46 1.57 5.65 -1.26 -5.26 115.29 112.86 2kkp s HIS 116 Ca 0.00 1.47 0.28 0.00 0.25 0.00 0.00 55.06 57.07 2kkp s HIS 116 Cb 0.00 0.30 1.13 0.00 -1.18 0.00 0.00 32.58 32.83 2kkp s HIS 116 CO 0.00 -0.45 1.79 0.72 -0.65 0.00 0.00 174.74 176.15