#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 3.27 0.00 1.12 2.07 -1.26 -4.81 121.20 121.59 2kkp s ILE 2 Ca 0.00 0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2kkp s ILE 2 Cb 0.00 -3.36 0.00 0.00 0.13 0.00 0.00 42.46 39.23 2kkp s ILE 2 CO 0.00 -0.22 0.00 1.21 -1.91 0.00 0.00 174.94 174.02 2kkp n GLU 3 N 8.51 0.00 -0.11 3.50 0.00 -1.26 -5.09 120.64 126.19 2kkp n GLU 3 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.30 2kkp n GLU 3 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.81 2kkp n GLU 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 2kkp h PRO 4 N 0.00 -0.32 0.00 5.31 0.11 -2.06 -3.47 132.00 131.57 2kkp h PRO 4 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2kkp h PRO 4 Cb 0.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kkp h PRO 4 CO 0.00 -0.21 0.00 0.45 -0.21 0.00 0.00 178.00 178.03 2kkp n SER 5 N -4.90 -2.97 -3.32 -2.05 2.88 -1.26 -3.96 113.62 98.05 2kkp n SER 5 Ca -0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.21 2kkp n SER 5 Cb 0.28 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 2kkp n SER 5 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kkp n LYS 6 N -0.32 3.24 -2.09 -1.46 5.02 -1.26 -4.99 118.16 116.30 2kkp n LYS 6 Ca 0.00 -4.74 -0.35 0.00 -2.02 0.00 0.00 58.31 51.21 2kkp n LYS 6 Cb 0.00 -2.30 -0.04 0.00 -0.02 0.00 0.00 35.03 32.67 2kkp n LYS 6 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2kkp n ILE 7 N 0.41 2.56 -2.72 -0.18 -6.64 -1.25 -4.90 119.36 106.63 2kkp n ILE 7 Ca 0.31 -2.60 -0.23 0.00 -1.77 0.00 0.00 62.75 58.47 2kkp n ILE 7 Cb 0.38 -2.26 0.11 0.00 -1.44 0.00 0.00 39.64 36.43 2kkp n ILE 7 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2kkp s THR 8 N 8.09 2.02 0.24 7.28 -4.23 -1.26 -4.77 115.64 123.01 2kkp s THR 8 Ca 0.62 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 2kkp s THR 8 Cb 0.03 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.59 2kkp s THR 8 CO 0.11 0.00 1.64 0.58 -0.54 0.00 0.00 174.62 176.41 2kkp h VAL 9 N -0.43 1.28 -0.82 2.29 2.07 -1.31 -2.46 116.25 116.86 2kkp h VAL 9 Ca -0.33 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2kkp h VAL 9 Cb 1.27 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 2kkp h VAL 9 CO 0.38 0.45 0.47 1.05 0.02 0.00 0.00 177.57 179.94 2kkp h GLU 10 N 0.51 1.13 0.08 1.57 4.11 -1.54 -0.46 114.58 119.99 2kkp h GLU 10 Ca 0.06 -0.12 -0.29 0.00 0.07 0.00 0.00 59.36 59.08 2kkp h GLU 10 Cb 0.79 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 29.84 2kkp h GLU 10 CO 0.06 0.82 -1.19 0.37 0.07 0.00 0.00 179.01 179.14 2kkp h GLN 11 N 1.14 0.65 0.20 1.06 4.15 -1.81 -2.68 115.11 117.82 2kkp h GLN 11 Ca 0.29 -0.81 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 2kkp h GLN 11 Cb -0.00 0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2kkp h GLN 11 CO -0.05 1.36 -0.10 2.35 -1.93 0.00 0.00 178.83 180.47 2kkp h TRP 12 N 0.31 -0.25 0.16 3.99 7.01 -1.23 -2.11 115.95 123.83 2kkp h TRP 12 Ca -0.17 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.83 2kkp h TRP 12 Cb 1.85 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 28.97 2kkp h TRP 12 CO 0.11 -0.03 -0.20 -0.07 -2.79 0.00 0.00 178.44 175.46 2kkp h LEU 13 N -0.43 -0.56 -1.13 0.65 3.38 -1.18 0.12 115.31 116.17 2kkp h LEU 13 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kkp h LEU 13 Cb 0.33 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2kkp h LEU 13 CO 0.05 -0.30 0.55 -1.13 0.09 0.00 0.00 178.44 177.70 2kkp h ASN 14 N -0.41 1.00 0.13 -0.43 -1.24 -1.48 0.16 115.58 113.30 2kkp h ASN 14 Ca 0.01 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 2kkp h ASN 14 Cb 0.41 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2kkp h ASN 14 CO -0.08 0.74 -0.06 -0.09 -1.29 0.00 0.00 177.43 176.64 2kkp h ARG 15 N 1.17 -0.17 -0.43 6.67 2.43 -1.17 -3.06 114.38 119.82 2kkp h ARG 15 Ca 0.31 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2kkp h ARG 15 Cb -0.11 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2kkp h ARG 15 CO -0.06 0.29 0.28 2.35 -1.51 0.00 0.00 179.97 181.32 2kkp h TRP 16 N -0.82 0.54 -0.71 2.20 2.91 -0.52 -1.93 115.95 117.63 2kkp h TRP 16 Ca -0.02 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.07 2kkp h TRP 16 Cb 0.54 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.96 2kkp h TRP 16 CO 0.10 0.35 0.41 -0.07 -1.03 0.00 0.00 178.44 178.19 2kkp h LEU 17 N 0.58 0.62 -1.83 0.65 4.07 -0.82 0.24 115.31 118.82 2kkp h LEU 17 Ca 0.16 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 2kkp h LEU 17 Cb -0.06 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 2kkp h LEU 17 CO -0.03 0.40 -0.14 0.74 -1.08 0.00 0.00 178.44 178.33 2kkp h THR 18 N 0.76 0.86 0.00 0.22 2.02 -1.29 -1.00 112.91 114.48 2kkp h THR 18 Ca 0.31 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2kkp h THR 18 Cb 0.17 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2kkp h THR 18 CO -0.17 0.14 -0.32 -0.78 0.37 0.00 0.00 175.52 174.75 2kkp h ASP 19 N 0.00 0.00 0.51 4.18 1.82 -0.18 -3.38 116.42 119.36 2kkp h ASP 19 Ca -0.00 -0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.40 2kkp h ASP 19 Cb 0.29 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 2kkp h ASP 19 CO 0.02 0.72 -1.61 0.00 -1.61 0.00 0.00 179.24 176.75 2kkp n TYR 20 N -4.67 0.65 1.15 0.28 4.11 0.61 -4.05 117.16 115.23 2kkp n TYR 20 Ca -0.06 0.21 0.11 0.00 -0.00 0.00 0.00 57.90 58.16 2kkp n TYR 20 Cb 0.20 -0.95 0.37 0.00 -0.00 0.00 0.00 39.34 38.96 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kkp n ALA 21 N -2.39 2.51 -3.74 -3.48 0.00 -0.38 -4.35 120.51 108.67 2kkp n ALA 21 Ca -0.11 -0.58 -0.28 0.00 0.00 0.00 0.00 53.44 52.48 2kkp n ALA 21 Cb 0.80 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 2kkp n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kkp n LYS 22 N 0.49 1.45 -1.87 0.00 5.02 -1.22 -4.75 118.16 117.28 2kkp n LYS 22 Ca 0.17 -4.16 -0.30 0.00 -2.02 0.00 0.00 58.31 52.00 2kkp n LYS 22 Cb 0.38 -2.12 0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2kkp n LYS 22 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kkp s PRO 23 N -1.14 2.81 0.19 1.97 0.04 -1.26 -4.91 135.00 132.70 2kkp s PRO 23 Ca 0.28 0.47 0.19 0.00 0.04 0.00 0.00 61.00 61.98 2kkp s PRO 23 Cb -0.01 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2kkp s PRO 23 CO -0.17 -1.07 1.09 1.25 0.04 0.00 0.00 177.00 178.14 2kkp h HIS 24 N -0.68 0.00 -3.38 0.56 2.76 -1.97 -3.41 115.15 109.02 2kkp h HIS 24 Ca -0.45 0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.07 2kkp h HIS 24 Cb 1.25 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 30.06 2kkp h HIS 24 CO 0.50 0.30 0.21 -0.51 -1.30 0.00 0.00 177.93 177.13 2kkp s LEU 25 N -5.80 4.57 -0.03 0.26 1.02 -1.26 -4.65 118.68 112.79 2kkp s LEU 25 Ca 0.00 -0.54 -0.03 0.00 0.02 0.00 0.00 54.13 53.58 2kkp s LEU 25 Cb 0.08 -2.66 0.01 0.00 0.02 0.00 0.00 46.19 43.64 2kkp s LEU 25 CO 0.78 -0.93 0.06 -1.14 0.02 0.00 0.00 176.35 175.14 2kkp n ARG 26 N 6.52 -3.07 -1.71 1.70 3.00 -1.26 -4.89 116.66 116.94 2kkp n ARG 26 Ca -0.02 2.45 -0.43 0.00 -0.00 0.00 0.00 57.85 59.84 2kkp n ARG 26 Cb 0.47 -3.24 -0.03 0.00 0.00 0.00 0.00 32.46 29.66 2kkp n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kkp n GLN 27 N 1.10 2.50 -2.35 -0.14 10.64 -1.26 -4.67 117.38 123.19 2kkp n GLN 27 Ca -0.09 0.90 -0.43 0.00 -1.83 0.00 0.00 57.00 55.55 2kkp n GLN 27 Cb 0.15 -2.67 -0.02 0.00 -0.86 0.00 0.00 30.24 26.83 2kkp n GLN 27 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2kkp s SER 28 N 0.72 6.93 0.47 2.61 0.15 -1.26 -5.02 113.70 118.30 2kkp s SER 28 Ca 0.71 1.86 0.05 0.00 0.70 0.00 0.00 55.95 59.26 2kkp s SER 28 Cb -0.56 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.25 2kkp s SER 28 CO 0.42 -0.72 0.38 1.07 1.20 0.00 0.00 173.24 175.59 2kkp n THR 29 N 5.04 0.00 -2.55 6.45 5.66 -1.26 -4.94 114.28 122.68 2kkp n THR 29 Ca 0.13 -1.83 -0.02 0.00 -3.05 0.00 0.00 64.05 59.28 2kkp n THR 29 Cb 0.45 -0.14 -0.02 0.00 -1.55 0.00 0.00 70.33 69.07 2kkp n THR 29 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2kkp n TRP 30 N -1.63 -3.77 0.99 1.09 8.01 -1.26 -4.91 117.44 115.97 2kkp n TRP 30 Ca -0.00 1.86 0.09 0.00 -1.31 0.00 0.00 57.50 58.14 2kkp n TRP 30 Cb 0.53 -3.74 0.28 0.00 -2.01 0.00 0.00 31.31 26.37 2kkp n TRP 30 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.69 175.83 2kkp n GLU 31 N 0.94 1.84 -0.12 -0.99 0.28 -1.26 -4.17 120.64 117.17 2kkp n GLU 31 Ca -0.13 -1.28 0.13 0.00 -0.16 0.00 0.00 57.16 55.72 2kkp n GLU 31 Cb 0.21 -1.36 0.50 0.00 1.43 0.00 0.00 31.44 32.22 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 2.35 0.38 -0.12 -1.84 0.02 -1.99 -1.01 113.55 111.34 2kkp h SER 32 Ca 0.00 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2kkp h SER 32 Cb 0.52 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2kkp h SER 32 CO 0.00 0.22 -0.02 1.88 -1.14 0.00 0.00 176.83 177.77 2kkp h TYR 33 N 0.41 -0.03 -0.29 3.45 0.05 -1.96 -0.50 116.97 118.10 2kkp h TYR 33 Ca 0.31 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 2kkp h TYR 33 Cb 0.66 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2kkp h TYR 33 CO -0.00 -0.03 0.12 1.49 -1.05 0.00 0.00 178.16 178.68 2kkp h GLU 34 N 0.02 0.43 0.68 4.88 4.81 -1.54 -2.52 114.58 121.35 2kkp h GLU 34 Ca 0.06 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2kkp h GLU 34 Cb 0.08 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kkp h GLU 34 CO -0.11 0.45 -0.42 1.15 -0.73 0.00 0.00 179.01 179.34 2kkp h THR 35 N 0.32 0.00 -0.29 0.32 2.02 -0.98 -2.18 112.91 112.12 2kkp h THR 35 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 2kkp h THR 35 Cb 0.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2kkp h THR 35 CO -0.01 0.00 0.01 -0.37 0.37 0.00 0.00 175.52 175.53 2kkp h VAL 36 N -1.04 1.17 0.15 3.16 -1.51 -1.17 -1.93 116.25 115.09 2kkp h VAL 36 Ca -0.09 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 2kkp h VAL 36 Cb 0.83 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2kkp h VAL 36 CO 0.09 0.22 -0.07 0.25 -1.23 0.00 0.00 177.57 176.83 2kkp h LEU 37 N 0.41 -0.18 -0.66 4.19 5.85 -1.33 -2.36 115.31 121.24 2kkp h LEU 37 Ca 0.09 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2kkp h LEU 37 Cb 0.26 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2kkp h LEU 37 CO 0.01 -0.11 0.25 0.08 -0.34 0.00 0.00 178.44 178.32 2kkp h ARG 38 N -0.23 0.99 -0.83 1.25 0.11 -1.38 0.21 114.38 114.49 2kkp h ARG 38 Ca -0.02 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.88 2kkp h ARG 38 Cb 0.16 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 2kkp h ARG 38 CO 0.03 0.84 0.53 1.25 0.10 0.00 0.00 179.97 182.72 2kkp h LEU 39 N 0.93 0.98 0.00 0.08 5.85 -1.44 -3.03 115.31 118.67 2kkp h LEU 39 Ca 0.22 -0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 2kkp h LEU 39 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2kkp h LEU 39 CO -0.02 0.73 -1.63 1.41 -0.34 0.00 0.00 178.44 178.59 2kkp n HIS 40 N -4.39 0.00 0.92 1.25 8.25 -0.89 -4.78 115.22 115.59 2kkp n HIS 40 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.65 2kkp n HIS 40 Cb 0.04 -0.69 -0.10 0.00 1.12 0.00 0.00 29.99 30.36 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 -4.34 0.00 -0.03 1.59 0.24 0.69 -4.27 118.33 112.21 2kkp n VAL 41 Ca -0.31 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 2kkp n VAL 41 Cb 0.67 0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 33.81 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 1.47 0.00 1.34 5.03 -1.36 0.41 117.51 124.40 2kkp h ILE 42 Ca 0.00 -1.55 0.00 0.00 -0.12 0.00 0.00 64.86 63.19 2kkp h ILE 42 Cb 0.54 2.42 0.00 0.00 -3.03 0.00 0.00 36.82 36.75 2kkp h ILE 42 CO 0.00 0.42 0.00 -0.81 -0.68 0.00 0.00 178.15 177.08 2kkp n PRO 43 N -4.66 0.02 -0.01 2.37 -0.04 -1.26 -2.26 135.00 129.16 2kkp n PRO 43 Ca -0.09 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 2kkp n PRO 43 Cb 0.38 -1.53 -0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.56 0.31 -0.00 0.52 -2.24 -1.20 -4.76 114.28 105.36 2kkp n THR 44 Ca 0.04 0.30 0.01 0.00 -2.27 0.00 0.00 64.05 62.14 2kkp n THR 44 Cb 0.21 -1.49 -0.11 0.00 -2.10 0.00 0.00 70.33 66.84 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 -2.86 0.49 0.29 3.22 4.77 0.41 -4.09 117.00 119.23 2kkp n LEU 45 Ca -0.02 0.21 0.16 0.00 -0.03 0.00 0.00 56.01 56.33 2kkp n LEU 45 Cb 0.07 0.14 0.86 0.00 -2.33 0.00 0.00 43.42 42.16 2kkp n LEU 45 CO 0.03 0.16 1.04 1.23 -1.33 0.00 0.00 177.39 178.53 2kkp h GLY 46 N 3.86 0.00 -0.86 -0.72 0.00 0.11 -0.62 103.07 104.84 2kkp h GLY 46 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2kkp h GLY 46 CO 0.03 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.31 2kkp n SER 47 N -3.39 1.76 -4.67 0.19 2.88 -1.14 -1.25 113.62 107.99 2kkp n SER 47 Ca -0.02 -1.70 -0.35 0.00 -1.33 0.00 0.00 58.87 55.48 2kkp n SER 47 Cb 0.20 -0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.81 5.13 0.45 2.46 1.01 -0.24 -4.94 121.20 123.26 2kkp s ILE 48 Ca 0.33 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 2kkp s ILE 48 Cb 0.18 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 2kkp s ILE 48 CO 0.28 0.42 1.22 -2.65 0.00 0.00 0.00 174.94 174.21 2kkp n PRO 49 N 3.73 1.75 -0.03 2.79 -0.02 -1.26 -4.04 135.00 137.91 2kkp n PRO 49 Ca -0.16 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 2kkp n PRO 49 Cb 0.52 -2.34 0.49 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.83 0.37 -0.92 2.45 3.38 -1.90 0.74 115.31 121.26 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 1.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kkp h LEU 50 CO 0.58 0.24 0.00 0.29 0.09 0.00 0.00 178.44 179.64 2kkp n LYS 51 N -4.47 1.60 -0.02 1.13 4.01 -1.26 -3.67 118.16 115.47 2kkp n LYS 51 Ca 0.07 -0.91 -0.03 0.00 -0.51 0.00 0.00 58.31 56.94 2kkp n LYS 51 Cb 0.26 -1.34 -0.04 0.00 -0.51 0.00 0.00 35.03 33.40 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 0.15 2.94 -1.70 1.97 4.81 0.09 -5.03 118.16 121.39 2kkp n LYS 52 Ca 0.14 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 57.03 2kkp n LYS 52 Cb 0.27 -1.13 -0.07 0.00 0.02 0.00 0.00 35.03 34.13 2kkp n LYS 52 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kkp n LEU 53 N -2.22 2.57 -4.95 3.14 -0.00 -0.25 -4.96 117.00 110.33 2kkp n LEU 53 Ca -0.08 1.04 -0.25 0.00 -0.00 0.00 0.00 56.01 56.72 2kkp n LEU 53 Cb 0.66 -1.18 -0.03 0.00 -0.00 0.00 0.00 43.42 42.87 2kkp n LEU 53 CO 0.10 -0.36 -0.05 -1.10 -0.00 0.00 0.00 177.39 175.97 2kkp s GLN 54 N 3.75 3.45 0.50 1.96 -0.21 -1.26 -4.95 119.66 122.90 2kkp s GLN 54 Ca 0.98 -0.60 0.20 0.00 0.02 0.00 0.00 55.36 55.96 2kkp s GLN 54 Cb -1.00 -2.92 1.27 0.00 1.00 0.00 0.00 33.01 31.36 2kkp s GLN 54 CO 0.63 0.47 2.08 -1.35 -2.12 0.00 0.00 175.29 175.00 2kkp h PRO 55 N 1.79 0.00 -0.38 2.91 0.11 -1.93 -2.40 132.00 132.09 2kkp h PRO 55 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2kkp h PRO 55 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2kkp h PRO 55 CO 0.66 0.11 -0.13 0.00 -0.21 0.00 0.00 178.00 178.43 2kkp h ALA 56 N 1.89 1.05 -0.35 -0.75 0.00 -1.91 -0.55 119.26 118.63 2kkp h ALA 56 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2kkp h ALA 56 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kkp h ALA 56 CO 0.01 0.58 0.18 -0.44 0.00 0.00 0.00 179.25 179.58 2kkp h ASP 57 N 0.63 0.46 -0.47 0.00 3.32 -1.83 0.27 116.42 118.80 2kkp h ASP 57 Ca 0.11 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2kkp h ASP 57 Cb 0.58 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2kkp h ASP 57 CO 0.04 0.44 0.12 0.40 -1.72 0.00 0.00 179.24 178.52 2kkp h ILE 58 N 0.44 1.23 -0.74 0.35 2.04 -1.43 -0.24 117.51 119.16 2kkp h ILE 58 Ca 0.12 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2kkp h ILE 58 Cb 0.10 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2kkp h ILE 58 CO -0.02 0.29 0.39 -0.61 0.00 0.00 0.00 178.15 178.20 2kkp h GLN 59 N 0.63 1.04 -0.37 2.37 4.15 -0.88 -2.35 115.11 119.69 2kkp h GLN 59 Ca 0.15 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 2kkp h GLN 59 Cb 0.31 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2kkp h GLN 59 CO 0.00 0.78 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.54 2kkp h ARG 60 N 1.02 0.61 -0.22 1.69 2.43 -0.14 -0.35 114.38 119.42 2kkp h ARG 60 Ca 0.26 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2kkp h ARG 60 Cb 0.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2kkp h ARG 60 CO -0.04 0.68 0.02 1.25 -1.51 0.00 0.00 179.97 180.37 2kkp h LEU 61 N 0.57 -0.03 -0.27 3.80 7.12 -0.52 0.31 115.31 126.29 2kkp h LEU 61 Ca 0.11 0.04 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 2kkp h LEU 61 Cb 0.45 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 2kkp h LEU 61 CO 0.02 0.01 -0.07 1.88 -0.13 0.00 0.00 178.44 180.15 2kkp h TYR 62 N 0.10 0.60 -0.16 1.25 0.05 -1.17 -2.48 116.97 115.16 2kkp h TYR 62 Ca 0.10 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2kkp h TYR 62 Cb 0.12 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2kkp h TYR 62 CO -0.17 0.74 0.10 0.00 -1.05 0.00 0.00 178.16 177.78 2kkp h ALA 63 N 0.77 0.21 -0.18 3.88 0.00 -0.77 0.25 119.26 123.42 2kkp h ALA 63 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2kkp h ALA 63 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kkp h ALA 63 CO 0.03 -0.27 -0.26 0.77 0.00 0.00 0.00 179.25 179.51 2kkp h SER 64 N 0.18 0.33 1.06 0.00 0.02 -0.41 -1.74 113.55 112.99 2kkp h SER 64 Ca 0.06 -0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 60.72 2kkp h SER 64 Cb 0.04 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2kkp h SER 64 CO -0.01 0.60 -0.97 0.11 -1.14 0.00 0.00 176.83 175.42 2kkp h LYS 65 N 0.30 0.00 -0.23 3.45 6.56 -1.23 -3.14 116.57 122.28 2kkp h LYS 65 Ca 0.05 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.57 2kkp h LYS 65 Cb 0.63 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 2kkp h LYS 65 CO 0.05 0.71 -0.14 1.25 -2.06 0.00 0.00 179.45 179.26 2kkp h LEU 66 N 0.00 0.37 -2.15 2.94 5.85 -0.12 -1.05 115.31 121.15 2kkp h LEU 66 Ca -0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2kkp h LEU 66 Cb 1.66 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2kkp h LEU 66 CO 0.09 0.54 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.58 2kkp h GLU 67 N 0.36 0.00 0.00 1.25 4.57 -1.28 -1.20 114.58 118.28 2kkp h GLU 67 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2kkp h GLU 67 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2kkp h GLU 67 CO 0.03 0.07 0.00 0.43 -1.18 0.00 0.00 179.01 178.36 2kkp n SER 68 N -3.78 0.79 0.00 1.04 7.64 -0.41 -4.91 113.62 113.99 2kkp n SER 68 Ca -0.02 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kkp n SER 68 Cb 0.17 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2kkp n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 69 N 1.21 0.72 3.80 0.23 0.00 -0.46 -5.11 105.19 105.59 2kkp n GLY 69 Ca 0.05 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 4.31 0.44 0.99 1.43 -1.23 -5.04 118.68 119.58 2kkp s LEU 70 Ca 0.00 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 2kkp s LEU 70 Cb 0.00 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 2kkp s LEU 70 CO 0.00 0.28 1.22 -0.55 0.23 0.00 0.00 176.35 177.53 2kkp s SER 71 N -0.34 6.19 0.48 2.29 0.15 -1.26 -4.85 113.70 116.36 2kkp s SER 71 Ca 0.13 2.45 0.26 0.00 0.70 0.00 0.00 55.95 59.49 2kkp s SER 71 Cb -0.12 -2.62 1.31 0.00 -1.71 0.00 0.00 66.02 62.88 2kkp s SER 71 CO 0.03 -0.91 1.85 1.55 1.20 0.00 0.00 173.24 176.95 2kkp h PRO 72 N 2.28 0.18 -0.23 5.44 0.13 -1.98 0.21 132.00 138.03 2kkp h PRO 72 Ca -0.49 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.45 2kkp h PRO 72 Cb 1.25 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kkp h PRO 72 CO 0.61 0.12 -0.55 1.79 -0.23 0.00 0.00 178.00 179.74 2kkp h THR 73 N 0.19 1.30 -0.31 1.56 1.35 -1.98 0.10 112.91 115.12 2kkp h THR 73 Ca 0.48 -1.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.52 2kkp h THR 73 Cb 1.58 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 2kkp h THR 73 CO -0.11 0.56 -0.01 0.03 -0.25 0.00 0.00 175.52 175.74 2kkp h ARG 74 N 0.53 0.56 -0.34 4.72 -0.00 -1.37 -1.78 114.38 116.71 2kkp h ARG 74 Ca 0.01 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.98 59.27 2kkp h ARG 74 Cb 1.12 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 31.02 2kkp h ARG 74 CO 0.11 0.70 0.06 0.28 0.00 0.00 0.00 179.97 181.12 2kkp h VAL 75 N 0.35 1.17 -0.26 2.04 2.07 -1.20 -2.53 116.25 117.89 2kkp h VAL 75 Ca 0.09 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 2kkp h VAL 75 Cb 0.46 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2kkp h VAL 75 CO 0.02 0.22 -0.31 -0.09 0.02 0.00 0.00 177.57 177.43 2kkp h ARG 76 N 0.49 0.55 -0.18 1.57 2.43 -0.43 0.34 114.38 119.15 2kkp h ARG 76 Ca 0.11 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2kkp h ARG 76 Cb 0.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2kkp h ARG 76 CO 0.00 0.79 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.27 2kkp h TYR 77 N 0.47 0.41 -0.03 2.20 3.20 -0.93 0.60 116.97 122.89 2kkp h TYR 77 Ca 0.06 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2kkp h TYR 77 Cb 0.77 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2kkp h TYR 77 CO 0.03 0.64 -0.23 0.82 -1.64 0.00 0.00 178.16 177.78 2kkp h ILE 78 N 0.05 1.18 0.33 1.81 2.04 -1.34 -1.48 117.51 120.10 2kkp h ILE 78 Ca 0.04 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 2kkp h ILE 78 Cb 0.52 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2kkp h ILE 78 CO 0.02 0.25 -0.16 -0.74 0.00 0.00 0.00 178.15 177.52 2kkp h HIS 79 N 0.05 -0.41 -0.41 1.37 2.76 0.15 -1.96 115.15 116.71 2kkp h HIS 79 Ca 0.01 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 2kkp h HIS 79 Cb 0.44 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 2kkp h HIS 79 CO 0.00 -0.16 -0.20 -0.39 -1.30 0.00 0.00 177.93 175.89 2kkp h VAL 80 N -0.60 1.28 -0.42 5.26 -1.51 -0.69 -1.76 116.25 117.80 2kkp h VAL 80 Ca -0.04 -1.34 -0.09 0.00 -1.23 0.00 0.00 66.70 64.00 2kkp h VAL 80 Cb 0.43 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 2kkp h VAL 80 CO 0.07 0.45 -0.07 1.62 -1.23 0.00 0.00 177.57 178.42 2kkp h VAL 81 N 0.67 1.27 -0.26 7.19 3.04 -1.32 -1.42 116.25 125.42 2kkp h VAL 81 Ca 0.09 -1.15 -0.19 0.00 -1.01 0.00 0.00 66.70 64.44 2kkp h VAL 81 Cb 0.76 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2kkp h VAL 81 CO 0.06 0.39 -0.58 0.25 -1.01 0.00 0.00 177.57 176.68 2kkp h LEU 82 N 0.62 0.93 -0.42 3.16 5.85 -1.35 -1.97 115.31 122.13 2kkp h LEU 82 Ca 0.11 -0.51 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 2kkp h LEU 82 Cb 0.59 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2kkp h LEU 82 CO 0.04 1.30 -0.11 0.45 -0.34 0.00 0.00 178.44 179.78 2kkp h HIS 83 N 0.63 0.91 -0.07 1.25 3.86 -1.24 -2.88 115.15 117.61 2kkp h HIS 83 Ca 0.01 -0.20 -0.12 0.00 -1.16 0.00 0.00 60.37 58.90 2kkp h HIS 83 Cb 1.18 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 29.44 2kkp h HIS 83 CO 0.07 0.94 -0.41 1.49 0.86 0.00 0.00 177.93 180.88 2kkp h GLU 84 N 0.63 0.41 -0.77 2.45 4.57 -1.27 -3.07 114.58 117.53 2kkp h GLU 84 Ca 0.10 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 2kkp h GLU 84 Cb 0.65 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 2kkp h GLU 84 CO 0.04 0.98 0.27 0.00 -1.18 0.00 0.00 179.01 179.13 2kkp h ALA 85 N 0.43 1.02 0.00 2.92 0.00 -1.40 -2.02 119.26 120.21 2kkp h ALA 85 Ca -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2kkp h ALA 85 Cb 1.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2kkp h ALA 85 CO 0.08 0.67 -0.22 0.52 0.00 0.00 0.00 179.25 180.31 2kkp h MET 86 N 1.14 0.00 0.00 0.00 2.86 -1.60 -2.37 114.93 114.96 2kkp h MET 86 Ca 0.25 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2kkp h MET 86 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2kkp h MET 86 CO -0.01 0.22 -0.13 0.77 1.06 0.00 0.00 176.91 178.81 2kkp h SER 87 N 0.00 0.00 -0.08 1.22 0.02 -1.26 -1.64 113.55 111.81 2kkp h SER 87 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2kkp h SER 87 Cb 0.79 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2kkp h SER 87 CO 0.03 0.13 -0.43 -0.61 -1.14 0.00 0.00 176.83 174.82 2kkp h GLN 88 N 0.00 0.62 -0.40 3.45 4.15 -1.34 -2.75 115.11 118.84 2kkp h GLN 88 Ca -0.00 -0.33 -0.07 0.00 0.77 0.00 0.00 58.65 59.02 2kkp h GLN 88 Cb 0.43 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2kkp h GLN 88 CO 0.02 0.93 -0.04 0.00 -1.93 0.00 0.00 178.83 177.81 2kkp h ALA 89 N 1.02 1.19 0.04 3.38 0.00 -1.36 -1.81 119.26 121.73 2kkp h ALA 89 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kkp h ALA 89 Cb 0.95 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2kkp h ALA 89 CO 0.09 0.53 -0.17 -0.09 0.00 0.00 0.00 179.25 179.60 2kkp h ARG 90 N 0.61 -0.29 0.00 0.00 9.65 -1.23 -0.22 114.38 122.90 2kkp h ARG 90 Ca 0.12 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2kkp h ARG 90 Cb 0.44 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2kkp h ARG 90 CO 0.02 -0.19 0.00 0.93 2.80 0.00 0.00 179.97 183.53 2kkp h GLU 91 N -0.30 0.00 -0.00 0.20 5.08 -1.22 -2.22 114.58 116.11 2kkp h GLU 91 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2kkp h GLU 91 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kkp h GLU 91 CO -0.13 0.00 -0.46 0.43 -1.00 0.00 0.00 179.01 177.85 2kkp n SER 92 N -2.53 0.55 0.00 1.42 7.64 -0.70 -4.93 113.62 115.07 2kkp n SER 92 Ca 0.02 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2kkp n SER 92 Cb 0.30 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.48 0.75 0.09 0.23 0.00 -0.83 -4.91 105.19 101.99 2kkp n GLY 93 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -8.31 0.99 3.38 -1.28 -3.44 115.31 106.65 2kkp h LEU 94 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2kkp h LEU 94 Cb 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.42 2kkp h LEU 94 CO 0.00 0.83 -0.88 -0.22 0.09 0.00 0.00 178.44 178.26 2kkp s LEU 95 N -6.35 2.08 0.17 1.67 2.96 -0.73 -4.67 118.68 113.81 2kkp s LEU 95 Ca -0.00 -0.56 0.15 0.00 -0.22 0.00 0.00 54.13 53.49 2kkp s LEU 95 Cb 0.09 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 2kkp s LEU 95 CO 0.81 0.14 1.15 0.17 -1.32 0.00 0.00 176.35 177.30 2kkp h LEU 96 N 6.82 0.00 -9.30 -0.68 -0.00 -1.89 -3.36 115.31 106.90 2kkp h LEU 96 Ca -0.22 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.12 2kkp h LEU 96 Cb 1.23 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.76 2kkp h LEU 96 CO 0.48 0.58 -0.49 -1.10 -0.00 0.00 0.00 178.44 177.91 2kkp s GLN 97 N -2.92 1.92 -0.55 0.17 -0.21 -1.26 -5.09 119.66 111.73 2kkp s GLN 97 Ca 0.01 -2.17 -0.02 0.00 0.02 0.00 0.00 55.36 53.19 2kkp s GLN 97 Cb 0.08 -0.26 0.14 0.00 1.00 0.00 0.00 33.01 33.97 2kkp s GLN 97 CO 0.78 -0.58 0.35 0.54 -2.12 0.00 0.00 175.29 174.26 2kkp s ASN 98 N -3.55 5.18 0.11 5.90 4.22 -1.26 -4.82 114.94 120.72 2kkp s ASN 98 Ca 0.28 -2.59 0.26 0.00 -2.14 0.00 0.00 52.86 48.67 2kkp s ASN 98 Cb 0.02 -1.83 0.98 0.00 1.28 0.00 0.00 41.25 41.69 2kkp s ASN 98 CO 0.20 -0.42 1.79 -2.65 -2.04 0.00 0.00 177.10 173.98 2kkp n PRO 99 N 3.83 0.12 0.29 3.55 -0.02 -1.26 -3.26 135.00 138.25 2kkp n PRO 99 Ca 0.04 0.16 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 2kkp n PRO 99 Cb 0.39 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 2kkp n PRO 99 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2kkp h THR 100 N 0.00 0.16 0.00 3.45 1.35 -1.91 -1.56 112.91 114.41 2kkp h THR 100 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2kkp h THR 100 Cb 0.55 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2kkp h THR 100 CO 0.00 0.03 0.00 -0.33 -0.25 0.00 0.00 175.52 174.97 2kkp h GLU 101 N -1.13 0.00 0.00 4.72 5.08 -1.91 -1.16 114.58 120.18 2kkp h GLU 101 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kkp h GLU 101 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2kkp h GLU 101 CO 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 178.03 2kkp n ALA 102 N -1.86 2.41 -3.21 3.43 0.00 -1.18 -4.57 120.51 115.54 2kkp n ALA 102 Ca 0.02 -0.07 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 2kkp n ALA 102 Cb 0.29 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.11 3.60 -0.11 0.00 0.00 -0.44 -4.93 121.76 116.77 2kkp s ALA 103 Ca 0.10 -2.53 0.03 0.00 0.00 0.00 0.00 51.96 49.56 2kkp s ALA 103 Cb 0.13 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 2kkp s ALA 103 CO 0.62 -2.25 -0.23 0.15 0.00 0.00 0.00 175.76 174.05 2kkp s LYS 104 N 1.92 3.08 0.17 0.00 1.02 -1.26 -4.86 119.74 119.81 2kkp s LYS 104 Ca 0.10 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.09 2kkp s LYS 104 Cb -0.23 -2.36 0.14 0.00 -0.52 0.00 0.00 37.83 34.86 2kkp s LYS 104 CO 0.02 0.15 1.70 -1.35 -0.92 0.00 0.00 175.35 174.95 2kkp h PRO 105 N 6.80 0.12 -5.82 -1.68 0.11 -1.96 -3.39 132.00 126.19 2kkp h PRO 105 Ca -0.22 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.39 2kkp h PRO 105 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kkp h PRO 105 CO 0.49 0.08 1.51 -1.25 -0.21 0.00 0.00 178.00 178.62 2kkp s PRO 106 N -6.17 2.47 -0.10 1.05 0.04 -1.26 -4.95 135.00 126.08 2kkp s PRO 106 Ca -0.13 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 2kkp s PRO 106 Cb 0.15 -4.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 2kkp s PRO 106 CO 0.72 -2.87 0.31 -0.98 0.04 0.00 0.00 177.00 174.22 2kkp s ARG 107 N 7.47 4.02 -0.30 4.56 1.70 -1.26 -5.07 118.95 130.07 2kkp s ARG 107 Ca 0.88 0.17 0.03 0.00 -0.47 0.00 0.00 55.73 56.34 2kkp s ARG 107 Cb -0.18 -3.32 0.08 0.00 -0.57 0.00 0.00 34.95 30.96 2kkp s ARG 107 CO 0.26 0.47 -0.01 -1.01 -1.08 0.00 0.00 175.30 173.92 2kkp s HIS 108 N -0.25 3.33 0.00 5.89 3.76 -1.26 -5.05 115.29 121.70 2kkp s HIS 108 Ca 0.19 -2.57 0.00 0.00 -0.15 0.00 0.00 55.06 52.53 2kkp s HIS 108 Cb -0.14 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.18 2kkp s HIS 108 CO 0.07 -0.90 0.59 -0.35 -0.85 0.00 0.00 174.74 173.30 2kkp n PRO 109 N 4.39 0.00 -3.62 8.40 -0.04 -1.26 -4.45 135.00 138.42 2kkp n PRO 109 Ca -0.04 0.10 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 2kkp n PRO 109 Cb 0.42 -1.09 -0.08 0.00 -0.04 0.00 0.00 33.50 32.71 2kkp n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkp s LEU 110 N -1.60 5.63 0.00 1.53 1.02 -1.26 -4.88 118.68 119.11 2kkp s LEU 110 Ca 0.00 -2.64 0.00 0.00 0.02 0.00 0.00 54.13 51.51 2kkp s LEU 110 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.26 2kkp s LEU 110 CO 0.00 -0.47 0.00 1.21 0.02 0.00 0.00 176.35 177.11 2kkp n GLU 111 N 3.85 0.00 -3.41 1.70 4.07 -1.26 -5.07 120.64 120.52 2kkp n GLU 111 Ca 0.06 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.83 2kkp n GLU 111 Cb 0.40 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.82 2kkp n GLU 111 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2kkp n HIS 112 N -0.87 -2.70 -1.76 4.31 -0.00 -1.26 -4.65 115.22 108.29 2kkp n HIS 112 Ca 0.00 1.13 -0.24 0.00 0.46 0.00 0.00 57.72 59.07 2kkp n HIS 112 Cb 0.00 -2.05 -0.05 0.00 -0.12 0.00 0.00 29.99 27.76 2kkp n HIS 112 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kkp s HIS 113 N -1.59 1.37 0.00 1.57 3.76 -1.26 -3.01 115.29 116.13 2kkp s HIS 113 Ca 0.35 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 2kkp s HIS 113 Cb -0.04 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 29.94 2kkp s HIS 113 CO 0.83 -1.88 0.00 1.58 -0.85 0.00 0.00 174.74 174.42 2kkp n HIS 114 N 16.19 0.00 0.00 1.40 -0.00 -1.26 -5.05 115.22 126.50 2kkp n HIS 114 Ca 0.40 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.58 2kkp n HIS 114 Cb 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 2kkp n HIS 114 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kkp n HIS 115 N 0.00 0.00 -1.30 1.57 8.25 -1.16 -5.03 115.22 117.54 2kkp n HIS 115 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 2kkp n HIS 115 Cb 0.00 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 2kkp n HIS 115 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kkp n HIS 116 N -1.05 -3.26 -0.91 4.41 8.25 -1.26 -5.24 115.22 116.15 2kkp n HIS 116 Ca 0.00 1.63 0.00 0.00 -0.26 0.00 0.00 57.72 59.09 2kkp n HIS 116 Cb 0.00 -2.96 0.00 0.00 1.12 0.00 0.00 29.99 28.15 2kkp n HIS 116 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59