#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 5.29 -0.15 2.02 1.09 -1.26 -5.05 121.20 123.14 2kkp s ILE 2 Ca 0.00 0.32 -0.29 0.00 -1.10 0.00 0.00 60.65 59.57 2kkp s ILE 2 Cb 0.00 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 2kkp s ILE 2 CO 0.00 0.27 1.68 -0.70 -0.10 0.00 0.00 174.94 176.08 2kkp s GLU 3 N 1.51 3.90 0.41 2.79 2.56 -1.26 -4.96 118.70 123.65 2kkp s GLU 3 Ca 0.10 1.90 -0.25 0.00 0.00 0.00 0.00 54.97 56.72 2kkp s GLU 3 Cb -0.15 -4.04 -0.08 0.00 2.00 0.00 0.00 34.13 31.86 2kkp s GLU 3 CO 0.08 -1.18 1.23 -2.14 -0.56 0.00 0.00 175.26 172.68 2kkp s PRO 4 N 4.55 3.95 -0.16 4.30 0.02 -1.26 -4.43 135.00 141.98 2kkp s PRO 4 Ca 0.74 1.97 -0.01 0.00 0.02 0.00 0.00 61.00 63.72 2kkp s PRO 4 Cb -0.29 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.57 2kkp s PRO 4 CO 0.30 -0.44 0.02 -1.13 -0.33 0.00 0.00 177.00 175.42 2kkp n SER 5 N -0.00 -6.87 -0.12 2.53 3.41 -1.26 -4.99 113.62 106.32 2kkp n SER 5 Ca 0.05 1.00 -0.17 0.00 -0.26 0.00 0.00 58.87 59.48 2kkp n SER 5 Cb 0.45 -3.63 -0.12 0.00 -0.26 0.00 0.00 64.21 60.65 2kkp n SER 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kkp n LYS 6 N 1.13 0.66 -3.83 4.33 4.81 -1.26 -4.83 118.16 119.17 2kkp n LYS 6 Ca -0.03 0.14 -0.36 0.00 -0.87 0.00 0.00 58.31 57.19 2kkp n LYS 6 Cb 0.25 -1.53 -0.13 0.00 0.02 0.00 0.00 35.03 33.64 2kkp n LYS 6 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2kkp s ILE 7 N -2.52 3.26 0.46 3.15 2.07 -1.26 -4.92 121.20 121.44 2kkp s ILE 7 Ca -0.32 -1.59 0.03 0.00 -1.41 0.00 0.00 60.65 57.36 2kkp s ILE 7 Cb 0.09 -3.00 -0.03 0.00 0.13 0.00 0.00 42.46 39.65 2kkp s ILE 7 CO 0.63 -0.34 0.05 0.42 -1.91 0.00 0.00 174.94 173.78 2kkp s THR 8 N 1.24 1.07 0.14 4.00 -4.23 -1.26 -3.81 115.64 112.79 2kkp s THR 8 Ca 0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 2kkp s THR 8 Cb -0.21 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2kkp s THR 8 CO -0.01 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.43 2kkp h VAL 9 N 1.57 1.03 0.00 2.29 2.07 0.37 -2.24 116.25 121.34 2kkp h VAL 9 Ca -0.41 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2kkp h VAL 9 Cb 1.29 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2kkp h VAL 9 CO 0.69 0.07 -0.25 1.05 0.02 0.00 0.00 177.57 179.15 2kkp h GLU 10 N 0.38 0.00 -0.56 1.57 4.11 -1.04 0.11 114.58 119.15 2kkp h GLU 10 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.50 2kkp h GLU 10 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kkp h GLU 10 CO -0.06 0.25 0.14 0.37 0.07 0.00 0.00 179.01 179.78 2kkp h GLN 11 N 0.00 0.90 -0.14 1.06 5.75 -1.65 -1.04 115.11 119.99 2kkp h GLN 11 Ca -0.00 -0.22 -0.15 0.00 -0.15 0.00 0.00 58.65 58.13 2kkp h GLN 11 Cb 0.60 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 29.03 2kkp h GLN 11 CO 0.03 0.84 -0.51 2.35 -2.65 0.00 0.00 178.83 178.89 2kkp h TRP 12 N 0.80 0.79 0.08 3.99 7.01 -0.81 -3.19 115.95 124.62 2kkp h TRP 12 Ca 0.18 -0.33 0.02 0.00 2.11 0.00 0.00 58.89 60.87 2kkp h TRP 12 Cb 0.34 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 2kkp h TRP 12 CO 0.02 1.11 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.54 2kkp h LEU 13 N 0.25 -0.48 -1.33 0.65 3.38 -0.65 0.43 115.31 117.56 2kkp h LEU 13 Ca -0.02 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2kkp h LEU 13 Cb 1.14 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2kkp h LEU 13 CO 0.11 -0.25 -0.04 -0.55 0.09 0.00 0.00 178.44 177.80 2kkp h ASN 14 N -0.32 0.37 0.02 -0.43 7.08 -1.31 0.71 115.58 121.70 2kkp h ASN 14 Ca 0.03 -0.07 -0.23 0.00 -3.08 0.00 0.00 56.30 52.95 2kkp h ASN 14 Cb 0.35 -0.10 0.02 0.00 -2.08 0.00 0.00 38.32 36.51 2kkp h ASN 14 CO -0.11 0.47 -0.90 -0.09 -2.08 0.00 0.00 177.43 174.72 2kkp h ARG 15 N 0.38 0.57 -0.70 4.14 2.43 -1.44 -1.98 114.38 117.78 2kkp h ARG 15 Ca 0.08 -0.64 -0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2kkp h ARG 15 Cb 0.33 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2kkp h ARG 15 CO 0.01 1.25 0.43 2.35 -1.51 0.00 0.00 179.97 182.50 2kkp h TRP 16 N 0.16 0.93 -0.39 2.20 7.01 0.26 -2.20 115.95 123.92 2kkp h TRP 16 Ca -0.12 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.88 2kkp h TRP 16 Cb 1.59 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 28.32 2kkp h TRP 16 CO 0.13 0.62 0.23 -0.07 -2.79 0.00 0.00 178.44 176.56 2kkp h LEU 17 N 0.96 0.47 -1.72 0.65 4.07 -0.89 0.39 115.31 119.24 2kkp h LEU 17 Ca 0.25 -0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.24 2kkp h LEU 17 Cb -0.04 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 2kkp h LEU 17 CO -0.05 0.40 0.36 0.74 -1.08 0.00 0.00 178.44 178.81 2kkp h THR 18 N 0.51 0.89 0.00 0.22 2.02 -0.81 0.12 112.91 115.86 2kkp h THR 18 Ca 0.14 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 2kkp h THR 18 Cb 0.02 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2kkp h THR 18 CO -0.03 0.06 -0.77 0.44 0.37 0.00 0.00 175.52 175.59 2kkp h ASP 19 N 0.32 0.00 -0.17 4.18 3.32 -1.04 -3.41 116.42 119.61 2kkp h ASP 19 Ca 0.24 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2kkp h ASP 19 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2kkp h ASP 19 CO -0.06 1.04 0.00 -1.22 -1.72 0.00 0.00 179.24 177.29 2kkp n TYR 20 N -4.55 0.22 1.24 4.55 4.02 0.13 -2.74 117.16 120.03 2kkp n TYR 20 Ca -0.17 -0.11 0.13 0.00 -0.01 0.00 0.00 57.90 57.74 2kkp n TYR 20 Cb 0.42 0.00 0.30 0.00 -0.02 0.00 0.00 39.34 40.04 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kkp n ALA 21 N 0.18 2.83 -1.77 -0.72 0.00 0.02 -4.93 120.51 116.12 2kkp n ALA 21 Ca 0.14 -0.53 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 2kkp n ALA 21 Cb 0.27 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 2kkp n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kkp s LYS 22 N -2.20 3.80 -0.28 0.00 1.02 -1.11 -4.87 119.74 116.10 2kkp s LYS 22 Ca 0.29 1.90 -0.40 0.00 0.02 0.00 0.00 55.97 57.78 2kkp s LYS 22 Cb 0.20 -2.51 -0.15 0.00 -0.52 0.00 0.00 37.83 34.84 2kkp s LYS 22 CO 0.41 -0.56 1.77 -0.35 -0.92 0.00 0.00 175.35 175.70 2kkp n PRO 23 N -0.31 1.19 -4.22 -1.68 -0.04 -1.20 -4.95 135.00 123.78 2kkp n PRO 23 Ca 0.06 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 63.83 2kkp n PRO 23 Cb 0.47 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.69 2kkp n PRO 23 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kkp s HIS 24 N 3.70 1.14 -0.64 0.54 3.76 -0.19 -5.07 115.29 118.54 2kkp s HIS 24 Ca 0.99 -0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 55.01 2kkp s HIS 24 Cb -1.05 -0.60 0.17 0.00 1.11 0.00 0.00 32.58 32.20 2kkp s HIS 24 CO 0.65 0.00 0.50 -1.17 -0.85 0.00 0.00 174.74 173.88 2kkp s LEU 25 N -3.13 5.78 -0.30 0.89 1.98 -1.26 -4.17 118.68 118.47 2kkp s LEU 25 Ca 0.15 -2.56 -0.08 0.00 -2.89 0.00 0.00 54.13 48.75 2kkp s LEU 25 Cb 0.03 -1.99 0.19 0.00 0.66 0.00 0.00 46.19 45.08 2kkp s LEU 25 CO -0.01 -0.51 0.96 -0.60 -1.89 0.00 0.00 176.35 174.30 2kkp s ARG 26 N 0.37 0.22 0.04 1.98 3.52 -1.26 -5.12 118.95 118.71 2kkp s ARG 26 Ca 0.14 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 2kkp s ARG 26 Cb -0.19 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2kkp s ARG 26 CO -0.04 -0.41 0.00 1.04 -0.81 0.00 0.00 175.30 175.07 2kkp n GLN 27 N 5.17 -3.87 -2.37 5.12 6.02 -1.26 -4.19 117.38 122.00 2kkp n GLN 27 Ca 0.08 2.92 -0.36 0.00 -0.01 0.00 0.00 57.00 59.63 2kkp n GLN 27 Cb 0.57 -3.49 -0.03 0.00 1.02 0.00 0.00 30.24 28.31 2kkp n GLN 27 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kkp s SER 28 N -0.43 6.06 0.30 1.08 0.01 -1.26 -3.04 113.70 116.43 2kkp s SER 28 Ca 0.00 -1.65 0.04 0.00 1.31 0.00 0.00 55.95 55.65 2kkp s SER 28 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2kkp s SER 28 CO 0.00 -1.94 0.45 -0.89 0.41 0.00 0.00 173.24 171.27 2kkp s THR 29 N 6.88 4.83 0.82 1.44 2.01 -1.25 -4.96 115.64 125.41 2kkp s THR 29 Ca 0.57 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 2kkp s THR 29 Cb -0.00 -3.72 0.19 0.00 0.01 0.00 0.00 72.50 68.99 2kkp s THR 29 CO 0.02 -0.33 1.00 0.79 -0.69 0.00 0.00 174.62 175.41 2kkp n TRP 30 N -1.60 -3.92 0.88 4.92 8.01 -1.26 -4.42 117.44 120.05 2kkp n TRP 30 Ca -0.05 -0.89 0.09 0.00 -1.31 0.00 0.00 57.50 55.34 2kkp n TRP 30 Cb 0.57 -0.83 0.28 0.00 -2.01 0.00 0.00 31.31 29.32 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 -3.46 1.93 -0.27 -0.99 -0.00 -1.26 -4.41 120.64 112.18 2kkp n GLU 31 Ca 0.13 -1.42 0.06 0.00 -0.00 0.00 0.00 57.16 55.93 2kkp n GLU 31 Cb 0.46 -1.38 0.29 0.00 -0.00 0.00 0.00 31.44 30.80 2kkp n GLU 31 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2kkp h SER 32 N 2.62 0.80 0.09 -1.84 0.02 -1.95 -0.30 113.55 113.00 2kkp h SER 32 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2kkp h SER 32 Cb 0.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2kkp h SER 32 CO 0.00 0.50 -0.22 0.10 -1.14 0.00 0.00 176.83 176.06 2kkp h TYR 33 N 0.90 0.26 0.01 3.45 -0.00 -1.92 -2.38 116.97 117.29 2kkp h TYR 33 Ca 0.38 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.73 59.07 2kkp h TYR 33 Cb 0.32 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 36.98 2kkp h TYR 33 CO -0.00 0.45 -0.01 1.49 -0.00 0.00 0.00 178.16 180.10 2kkp h GLU 34 N 0.22 -0.02 0.12 0.10 4.81 -1.44 -3.19 114.58 115.18 2kkp h GLU 34 Ca 0.04 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2kkp h GLU 34 Cb 0.52 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2kkp h GLU 34 CO 0.04 0.77 -0.34 1.15 -0.73 0.00 0.00 179.01 179.90 2kkp h THR 35 N -0.87 0.29 -0.68 0.32 2.02 -1.06 -0.28 112.91 112.65 2kkp h THR 35 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2kkp h THR 35 Cb 0.79 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2kkp h THR 35 CO 0.00 0.00 0.37 -0.37 0.37 0.00 0.00 175.52 175.90 2kkp h VAL 36 N -0.56 1.20 0.35 3.16 -1.51 -1.60 -1.38 116.25 115.92 2kkp h VAL 36 Ca 0.03 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 2kkp h VAL 36 Cb 0.59 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 2kkp h VAL 36 CO -0.20 0.23 -0.17 0.25 -1.23 0.00 0.00 177.57 176.45 2kkp h LEU 37 N 0.95 -0.40 -1.09 4.19 5.85 -1.39 -2.53 115.31 120.88 2kkp h LEU 37 Ca 0.24 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2kkp h LEU 37 Cb 0.02 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2kkp h LEU 37 CO -0.04 -0.23 0.61 0.08 -0.34 0.00 0.00 178.44 178.53 2kkp h ARG 38 N -0.59 1.22 -0.72 1.25 0.11 -1.06 0.16 114.38 114.74 2kkp h ARG 38 Ca -0.05 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 2kkp h ARG 38 Cb 0.36 -0.27 -0.04 0.00 1.11 0.00 0.00 29.97 31.13 2kkp h ARG 38 CO 0.08 0.81 0.42 1.25 0.10 0.00 0.00 179.97 182.63 2kkp h LEU 39 N 1.26 0.87 0.00 0.08 5.85 -1.31 -2.95 115.31 119.11 2kkp h LEU 39 Ca 0.34 -0.06 -0.40 0.00 0.84 0.00 0.00 57.88 58.60 2kkp h LEU 39 Cb -0.14 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 2kkp h LEU 39 CO -0.07 0.68 -2.21 1.41 -0.34 0.00 0.00 178.44 177.91 2kkp n HIS 40 N -4.38 0.30 0.02 1.25 8.25 -0.73 -4.59 115.22 115.34 2kkp n HIS 40 Ca 0.07 0.12 -0.06 0.00 -0.26 0.00 0.00 57.72 57.60 2kkp n HIS 40 Cb 0.08 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.05 2kkp n HIS 40 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2kkp h VAL 41 N -0.90 1.01 0.24 1.59 3.04 -0.84 -3.31 116.25 117.07 2kkp h VAL 41 Ca -0.60 -2.72 -0.01 0.00 -1.01 0.00 0.00 66.70 62.36 2kkp h VAL 41 Cb 1.57 2.46 0.00 0.00 -2.01 0.00 0.00 31.29 33.31 2kkp h VAL 41 CO -0.34 0.58 -0.11 0.40 -1.01 0.00 0.00 177.57 177.09 2kkp h ILE 42 N 0.00 0.82 0.00 3.17 2.04 -1.64 0.39 117.51 122.29 2kkp h ILE 42 Ca -0.16 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2kkp h ILE 42 Cb 1.81 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2kkp h ILE 42 CO 0.09 0.10 0.00 -2.65 0.00 0.00 0.00 178.15 175.69 2kkp n PRO 43 N -5.13 0.35 -0.01 2.37 -0.02 -1.26 -1.67 135.00 129.64 2kkp n PRO 43 Ca -0.09 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.45 2kkp n PRO 43 Cb 0.22 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.19 0.40 0.47 3.45 -2.24 -1.08 -4.87 114.28 109.22 2kkp n THR 44 Ca 0.10 0.28 0.05 0.00 -2.27 0.00 0.00 64.05 62.21 2kkp n THR 44 Cb 0.12 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 66.80 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 -2.95 0.79 0.23 3.22 4.77 0.74 -4.58 117.00 119.23 2kkp n LEU 45 Ca -0.02 -0.61 0.06 0.00 -0.03 0.00 0.00 56.01 55.41 2kkp n LEU 45 Cb 0.09 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.73 2kkp n LEU 45 CO 0.04 0.17 0.94 1.23 -1.33 0.00 0.00 177.39 178.44 2kkp h GLY 46 N 2.32 0.00 -1.40 -0.72 0.00 0.51 -1.16 103.07 102.62 2kkp h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kkp h GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2kkp n SER 47 N -4.30 1.96 -4.42 0.19 7.64 -1.22 -0.44 113.62 113.03 2kkp n SER 47 Ca -0.03 -2.17 -0.32 0.00 1.01 0.00 0.00 58.87 57.37 2kkp n SER 47 Cb 0.22 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 62.89 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kkp s ILE 48 N -1.61 2.76 0.46 0.44 1.01 -0.44 -4.89 121.20 118.93 2kkp s ILE 48 Ca 0.16 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 2kkp s ILE 48 Cb 0.11 -2.06 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 2kkp s ILE 48 CO 0.07 0.58 1.31 -2.16 0.00 0.00 0.00 174.94 174.75 2kkp s PRO 49 N -0.60 3.69 0.43 2.79 0.04 -1.25 -0.86 135.00 139.24 2kkp s PRO 49 Ca 0.09 2.15 0.12 0.00 0.04 0.00 0.00 61.00 63.40 2kkp s PRO 49 Cb -0.11 -2.56 0.95 0.00 0.04 0.00 0.00 34.50 32.82 2kkp s PRO 49 CO 0.01 -0.72 2.00 -0.07 0.04 0.00 0.00 177.00 178.25 2kkp h LEU 50 N 2.22 0.15 0.00 -3.56 3.38 -1.86 -0.23 115.31 115.41 2kkp h LEU 50 Ca -0.50 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2kkp h LEU 50 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kkp h LEU 50 CO 0.61 0.25 0.00 0.29 0.09 0.00 0.00 178.44 179.67 2kkp n LYS 51 N -4.37 0.55 -0.00 1.13 5.02 -1.26 -2.98 118.16 116.25 2kkp n LYS 51 Ca -0.01 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 2kkp n LYS 51 Cb 0.20 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kkp n LYS 52 N -1.21 4.30 -2.06 1.97 4.81 -0.36 -5.00 118.16 120.61 2kkp n LYS 52 Ca 0.16 -0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 2kkp n LYS 52 Cb 0.20 -0.79 -0.03 0.00 0.02 0.00 0.00 35.03 34.44 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 -2.46 4.23 0.21 3.14 1.98 -0.24 -4.97 118.68 120.57 2kkp s LEU 53 Ca 0.01 2.08 -0.14 0.00 -2.89 0.00 0.00 54.13 53.19 2kkp s LEU 53 Cb 0.03 -3.53 -0.08 0.00 0.66 0.00 0.00 46.19 43.27 2kkp s LEU 53 CO 0.16 -0.97 0.62 -1.10 -1.89 0.00 0.00 176.35 173.17 2kkp s GLN 54 N 4.11 4.00 0.57 1.98 -0.21 -1.26 -4.88 119.66 123.96 2kkp s GLN 54 Ca 0.71 0.55 0.26 0.00 0.02 0.00 0.00 55.36 56.91 2kkp s GLN 54 Cb -0.31 -2.76 1.60 0.00 1.00 0.00 0.00 33.01 32.53 2kkp s GLN 54 CO 0.28 0.37 2.16 -1.35 -2.12 0.00 0.00 175.29 174.62 2kkp h PRO 55 N 3.06 0.00 -0.54 2.91 0.11 -1.92 -1.42 132.00 134.21 2kkp h PRO 55 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2kkp h PRO 55 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2kkp h PRO 55 CO 0.66 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.54 2kkp h ALA 56 N 1.90 1.15 -0.50 -0.75 0.00 -1.91 -1.21 119.26 117.94 2kkp h ALA 56 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2kkp h ALA 56 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kkp h ALA 56 CO -0.00 0.56 -0.14 -0.44 0.00 0.00 0.00 179.25 179.23 2kkp h ASP 57 N 0.81 0.97 -0.45 0.00 3.32 -1.65 0.13 116.42 119.55 2kkp h ASP 57 Ca 0.17 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 2kkp h ASP 57 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2kkp h ASP 57 CO 0.01 1.11 0.05 0.40 -1.72 0.00 0.00 179.24 179.09 2kkp h ILE 58 N 0.85 1.25 -0.47 0.35 2.04 -1.39 0.33 117.51 120.47 2kkp h ILE 58 Ca 0.13 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 2kkp h ILE 58 Cb 0.70 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2kkp h ILE 58 CO 0.05 0.33 0.23 -0.61 0.00 0.00 0.00 178.15 178.15 2kkp h GLN 59 N 0.61 0.68 -0.61 2.37 -0.00 -1.04 -2.56 115.11 114.56 2kkp h GLN 59 Ca 0.13 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2kkp h GLN 59 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 2kkp h GLN 59 CO 0.01 0.57 0.30 -0.09 0.00 0.00 0.00 178.83 179.62 2kkp h ARG 60 N 0.62 0.85 -0.16 1.69 2.43 -0.49 -1.63 114.38 117.69 2kkp h ARG 60 Ca 0.16 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2kkp h ARG 60 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2kkp h ARG 60 CO -0.02 0.66 0.10 1.25 -1.51 0.00 0.00 179.97 180.45 2kkp h LEU 61 N 0.86 0.19 -0.47 3.80 7.12 -0.54 0.28 115.31 126.55 2kkp h LEU 61 Ca 0.21 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 2kkp h LEU 61 Cb 0.08 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 2kkp h LEU 61 CO -0.03 0.16 0.26 1.88 -0.13 0.00 0.00 178.44 180.58 2kkp h TYR 62 N 0.21 0.64 -0.01 1.25 0.05 -1.10 -2.43 116.97 115.58 2kkp h TYR 62 Ca 0.06 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2kkp h TYR 62 Cb -0.00 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.53 2kkp h TYR 62 CO -0.06 0.47 -0.02 0.00 -1.05 0.00 0.00 178.16 177.50 2kkp h ALA 63 N 1.11 0.01 -0.26 3.88 0.00 -1.08 -2.48 119.26 120.44 2kkp h ALA 63 Ca 0.17 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2kkp h ALA 63 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kkp h ALA 63 CO -0.03 -0.19 -0.25 0.77 0.00 0.00 0.00 179.25 179.56 2kkp h SER 64 N -0.52 0.51 1.49 0.00 0.02 -0.46 -1.13 113.55 113.45 2kkp h SER 64 Ca 0.00 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 2kkp h SER 64 Cb 0.58 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2kkp h SER 64 CO 0.00 0.75 -0.27 0.11 -1.14 0.00 0.00 176.83 176.28 2kkp h LYS 65 N 0.45 0.00 -0.45 3.45 1.79 -1.52 -0.97 116.57 119.32 2kkp h LYS 65 Ca 0.07 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2kkp h LYS 65 Cb 0.67 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2kkp h LYS 65 CO 0.05 0.27 0.03 1.25 -1.08 0.00 0.00 179.45 179.98 2kkp h LEU 66 N 0.00 0.75 -1.97 2.94 5.85 -0.87 -2.13 115.31 119.88 2kkp h LEU 66 Ca -0.00 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2kkp h LEU 66 Cb 1.09 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2kkp h LEU 66 CO 0.04 0.85 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.55 2kkp h GLU 67 N 0.63 0.00 0.00 1.25 4.39 -0.89 -1.80 114.58 118.16 2kkp h GLU 67 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kkp h GLU 67 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kkp h GLU 67 CO 0.02 0.11 0.00 0.43 -1.16 0.00 0.00 179.01 178.40 2kkp n SER 68 N -3.75 0.00 0.00 1.42 7.64 -0.40 -4.88 113.62 113.65 2kkp n SER 68 Ca -0.02 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2kkp n SER 68 Cb 0.21 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.23 1.50 3.80 0.23 0.00 -0.68 -5.06 105.19 106.22 2kkp n GLY 69 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 4.44 0.26 0.99 1.43 -0.87 -5.04 118.68 119.90 2kkp s LEU 70 Ca 0.00 1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 54.26 2kkp s LEU 70 Cb 0.00 -3.40 -0.09 0.00 0.03 0.00 0.00 46.19 42.73 2kkp s LEU 70 CO 0.00 0.12 1.18 -0.44 0.23 0.00 0.00 176.35 177.44 2kkp s SER 71 N -1.43 7.09 0.34 2.29 0.01 -1.26 -4.67 113.70 116.07 2kkp s SER 71 Ca 0.39 2.36 0.08 0.00 1.31 0.00 0.00 55.95 60.09 2kkp s SER 71 Cb -0.19 -2.63 0.79 0.00 0.21 0.00 0.00 66.02 64.20 2kkp s SER 71 CO 0.22 -0.31 1.84 1.55 0.41 0.00 0.00 173.24 176.96 2kkp h PRO 72 N 4.18 0.71 -0.33 12.44 0.13 -1.96 0.33 132.00 147.48 2kkp h PRO 72 Ca -0.47 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 2kkp h PRO 72 Cb 1.22 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2kkp h PRO 72 CO 0.69 0.47 -0.35 1.15 -0.23 0.00 0.00 178.00 179.73 2kkp h THR 73 N 0.73 1.28 0.02 1.56 2.02 -1.98 0.90 112.91 117.45 2kkp h THR 73 Ca 0.48 -1.52 -0.22 0.00 0.77 0.00 0.00 66.41 65.93 2kkp h THR 73 Cb 0.76 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2kkp h THR 73 CO -0.24 0.50 -0.95 -0.09 0.37 0.00 0.00 175.52 175.10 2kkp h ARG 74 N 0.63 0.24 -0.42 6.66 2.43 -1.50 -0.29 114.38 122.14 2kkp h ARG 74 Ca 0.06 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.85 2kkp h ARG 74 Cb 0.90 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2kkp h ARG 74 CO 0.08 1.03 -0.11 0.28 -1.51 0.00 0.00 179.97 179.73 2kkp h VAL 75 N 0.12 1.26 -0.71 0.20 2.07 -0.96 -1.39 116.25 116.84 2kkp h VAL 75 Ca -0.06 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2kkp h VAL 75 Cb 1.60 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2kkp h VAL 75 CO 0.15 0.40 0.38 -0.09 0.02 0.00 0.00 177.57 178.43 2kkp h ARG 76 N 0.69 0.99 -0.29 1.57 2.43 -0.39 0.40 114.38 119.78 2kkp h ARG 76 Ca 0.12 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2kkp h ARG 76 Cb 0.59 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2kkp h ARG 76 CO 0.04 0.73 -0.08 -0.92 -1.51 0.00 0.00 179.97 178.23 2kkp h TYR 77 N 0.99 0.63 -0.76 2.20 3.20 -0.75 -2.99 116.97 119.50 2kkp h TYR 77 Ca 0.25 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2kkp h TYR 77 Cb 0.04 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 2kkp h TYR 77 CO 0.01 0.77 0.50 0.82 -1.64 0.00 0.00 178.16 178.61 2kkp h ILE 78 N 0.32 1.05 -0.19 1.81 2.04 -0.67 -1.88 117.51 119.98 2kkp h ILE 78 Ca 0.07 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.69 2kkp h ILE 78 Cb 0.57 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 2kkp h ILE 78 CO 0.03 0.15 -0.14 -0.74 0.00 0.00 0.00 178.15 177.45 2kkp h HIS 79 N 0.84 -0.35 0.16 1.37 2.76 -0.79 -1.36 115.15 117.77 2kkp h HIS 79 Ca 0.32 0.03 -0.29 0.00 -2.20 0.00 0.00 60.37 58.23 2kkp h HIS 79 Cb 0.20 0.18 0.02 0.00 1.55 0.00 0.00 27.41 29.36 2kkp h HIS 79 CO -0.00 -0.21 -1.29 -0.39 -1.30 0.00 0.00 177.93 174.74 2kkp h VAL 80 N -0.14 1.42 -0.48 5.26 -1.51 -1.37 -2.09 116.25 117.34 2kkp h VAL 80 Ca 0.11 -2.89 -0.09 0.00 -1.23 0.00 0.00 66.70 62.60 2kkp h VAL 80 Cb 0.31 2.93 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 2kkp h VAL 80 CO -0.28 0.85 -0.07 1.62 -1.23 0.00 0.00 177.57 178.47 2kkp h VAL 81 N 0.12 1.26 -0.54 7.19 3.04 -1.34 -1.01 116.25 124.96 2kkp h VAL 81 Ca -0.17 -1.14 -0.06 0.00 -1.01 0.00 0.00 66.70 64.32 2kkp h VAL 81 Cb 2.00 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 32.22 2kkp h VAL 81 CO 0.22 0.40 0.09 0.25 -1.01 0.00 0.00 177.57 177.52 2kkp h LEU 82 N 0.77 0.86 0.76 3.16 5.85 -1.26 -1.61 115.31 123.84 2kkp h LEU 82 Ca 0.14 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2kkp h LEU 82 Cb 0.56 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2kkp h LEU 82 CO 0.03 0.90 -0.49 -0.74 -0.34 0.00 0.00 178.44 177.81 2kkp h HIS 83 N 0.79 -1.30 0.00 1.25 2.76 -0.82 -1.13 115.15 116.71 2kkp h HIS 83 Ca 0.16 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2kkp h HIS 83 Cb 0.41 0.47 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2kkp h HIS 83 CO 0.03 -0.72 0.00 1.05 -1.30 0.00 0.00 177.93 176.99 2kkp h GLU 84 N -1.17 0.00 -0.07 5.26 4.11 -1.24 -0.64 114.58 120.83 2kkp h GLU 84 Ca -0.10 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.18 2kkp h GLU 84 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 2kkp h GLU 84 CO 0.09 0.00 -0.52 0.00 0.07 0.00 0.00 179.01 178.65 2kkp h ALA 85 N 2.15 0.16 0.00 1.06 0.00 -1.22 -3.24 119.26 118.18 2kkp h ALA 85 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2kkp h ALA 85 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2kkp h ALA 85 CO 0.00 0.37 -0.39 1.98 0.00 0.00 0.00 179.25 181.21 2kkp h MET 86 N 0.05 0.00 0.00 0.00 1.85 -0.80 -2.42 114.93 113.61 2kkp h MET 86 Ca -0.04 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 2kkp h MET 86 Cb 1.18 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.21 2kkp h MET 86 CO 0.11 0.39 -0.04 0.77 -0.40 0.00 0.00 176.91 177.74 2kkp h SER 87 N 0.00 0.00 0.61 1.39 0.02 -1.15 -0.82 113.55 113.60 2kkp h SER 87 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2kkp h SER 87 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2kkp h SER 87 CO 0.05 0.04 -0.45 1.56 -1.14 0.00 0.00 176.83 176.89 2kkp h GLN 88 N 0.00 0.00 -0.00 3.45 1.08 -1.48 -0.77 115.11 117.39 2kkp h GLN 88 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 2kkp h GLN 88 Cb 0.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2kkp h GLN 88 CO 0.01 0.45 -0.90 0.00 -0.95 0.00 0.00 178.83 177.44 2kkp h ALA 89 N 1.55 0.46 -0.12 3.87 0.00 -1.29 -1.64 119.26 122.10 2kkp h ALA 89 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.20 2kkp h ALA 89 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kkp h ALA 89 CO 0.06 0.86 0.04 -0.09 0.00 0.00 0.00 179.25 180.12 2kkp h ARG 90 N 0.17 0.10 0.00 0.00 9.65 -1.11 -2.03 114.38 121.17 2kkp h ARG 90 Ca -0.06 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2kkp h ARG 90 Cb 1.53 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.08 2kkp h ARG 90 CO 0.15 0.07 0.00 0.39 2.80 0.00 0.00 179.97 183.37 2kkp n GLU 91 N -5.06 0.57 0.00 0.20 -0.58 -0.34 -2.12 120.64 113.32 2kkp n GLU 91 Ca -0.05 0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 2kkp n GLU 91 Cb 0.05 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 29.69 2kkp n GLU 91 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kkp n SER 92 N -1.19 0.89 0.00 1.62 2.88 -0.62 -4.94 113.62 112.25 2kkp n SER 92 Ca 0.16 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 2kkp n SER 92 Cb 0.18 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkp n GLY 93 N 1.42 0.60 0.00 0.46 0.00 -0.90 -4.85 105.19 101.92 2kkp n GLY 93 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2kkp n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkp n LEU 94 N 0.00 0.92 -4.13 0.99 -0.00 -1.08 -4.86 117.00 108.84 2kkp n LEU 94 Ca 0.00 -0.47 -0.29 0.00 -0.00 0.00 0.00 56.01 55.25 2kkp n LEU 94 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.26 2kkp n LEU 94 CO 0.00 0.23 -0.52 -0.22 -0.00 0.00 0.00 177.39 176.88 2kkp s LEU 95 N -3.09 1.90 0.07 1.47 2.96 -1.06 -4.85 118.68 116.08 2kkp s LEU 95 Ca 0.07 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2kkp s LEU 95 Cb 0.16 -1.18 -0.27 0.00 0.50 0.00 0.00 46.19 45.39 2kkp s LEU 95 CO 0.86 0.10 1.13 0.17 -1.32 0.00 0.00 176.35 177.29 2kkp h LEU 96 N 6.92 0.57 -7.44 -0.68 -0.00 -1.89 -3.39 115.31 109.40 2kkp h LEU 96 Ca -0.25 -0.58 -0.12 0.00 -0.00 0.00 0.00 57.88 56.93 2kkp h LEU 96 Cb 1.21 -0.18 -0.21 0.00 -0.00 0.00 0.00 40.66 41.48 2kkp h LEU 96 CO 0.48 1.44 -0.24 -1.10 -0.00 0.00 0.00 178.44 179.01 2kkp s GLN 97 N -2.76 0.64 -0.36 0.17 -0.21 -1.26 -5.08 119.66 110.81 2kkp s GLN 97 Ca -0.06 0.01 -0.29 0.00 0.02 0.00 0.00 55.36 55.04 2kkp s GLN 97 Cb 0.07 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.38 2kkp s GLN 97 CO 0.90 -0.16 1.16 -0.80 -2.12 0.00 0.00 175.29 174.26 2kkp s ASN 98 N -0.96 6.78 0.41 5.90 0.01 -1.26 -4.89 114.94 120.93 2kkp s ASN 98 Ca -0.10 0.94 0.29 0.00 -0.71 0.00 0.00 52.86 53.27 2kkp s ASN 98 Cb -0.04 -2.54 1.41 0.00 0.41 0.00 0.00 41.25 40.48 2kkp s ASN 98 CO 0.04 -1.04 1.86 -0.65 -1.51 0.00 0.00 177.10 175.81 2kkp h PRO 99 N 8.73 0.00 0.00 -0.60 0.11 -1.94 -1.76 132.00 136.54 2kkp h PRO 99 Ca -0.23 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 2kkp h PRO 99 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2kkp h PRO 99 CO 1.06 0.00 -0.23 1.79 -0.21 0.00 0.00 178.00 180.40 2kkp h THR 100 N 0.00 0.88 0.00 -1.15 1.35 -1.93 -2.83 112.91 109.23 2kkp h THR 100 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2kkp h THR 100 Cb 0.16 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kkp h THR 100 CO 0.00 0.23 0.00 -0.33 -0.25 0.00 0.00 175.52 175.17 2kkp h GLU 101 N 0.00 0.00 -0.02 4.72 4.39 -1.73 -3.00 114.58 118.94 2kkp h GLU 101 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkp h GLU 101 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kkp h GLU 101 CO 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.87 2kkp n ALA 102 N -2.06 2.49 -1.96 3.43 0.00 -1.08 -4.97 120.51 116.35 2kkp n ALA 102 Ca 0.04 -0.66 -0.25 0.00 0.00 0.00 0.00 53.44 52.58 2kkp n ALA 102 Cb 0.51 -0.68 0.10 0.00 0.00 0.00 0.00 19.45 19.38 2kkp n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkp s ALA 103 N -1.69 3.35 -0.83 0.00 0.00 -1.11 -4.91 121.76 116.57 2kkp s ALA 103 Ca 0.23 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2kkp s ALA 103 Cb 0.17 -2.30 0.20 0.00 0.00 0.00 0.00 23.12 21.20 2kkp s ALA 103 CO 0.26 -1.47 0.69 0.15 0.00 0.00 0.00 175.76 175.39 2kkp s LYS 104 N -5.23 3.05 0.31 0.00 1.02 -1.26 -5.04 119.74 112.58 2kkp s LYS 104 Ca 0.65 -3.19 0.06 0.00 0.02 0.00 0.00 55.97 53.51 2kkp s LYS 104 Cb -0.07 -3.84 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 2kkp s LYS 104 CO 0.45 -1.25 0.42 -1.25 -0.92 0.00 0.00 175.35 172.79 2kkp s PRO 105 N -1.19 3.15 0.41 -1.68 0.04 -1.26 -4.88 135.00 129.59 2kkp s PRO 105 Ca 0.26 -0.98 -0.26 0.00 0.04 0.00 0.00 61.00 60.05 2kkp s PRO 105 Cb -0.09 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 2kkp s PRO 105 CO -0.12 0.17 1.37 -2.30 0.04 0.00 0.00 177.00 176.16 2kkp n PRO 106 N -1.54 2.20 -2.58 0.56 -0.02 -1.26 -4.93 135.00 127.44 2kkp n PRO 106 Ca -0.03 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 2kkp n PRO 106 Cb 0.58 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 2kkp n PRO 106 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kkp s ARG 107 N -2.23 4.07 -0.29 -0.52 3.52 -1.26 -4.97 118.95 117.27 2kkp s ARG 107 Ca 0.59 1.19 -0.14 0.00 -0.13 0.00 0.00 55.73 57.23 2kkp s ARG 107 Cb -0.49 -3.76 0.14 0.00 -1.56 0.00 0.00 34.95 29.28 2kkp s ARG 107 CO 0.59 -0.90 0.88 -1.58 -0.81 0.00 0.00 175.30 173.48 2kkp s HIS 108 N 3.75 -0.83 0.95 5.12 2.46 -1.26 -5.16 115.29 120.32 2kkp s HIS 108 Ca 0.48 1.51 -0.12 0.00 0.47 0.00 0.00 55.06 57.40 2kkp s HIS 108 Cb -0.14 0.49 0.16 0.00 -0.13 0.00 0.00 32.58 32.96 2kkp s HIS 108 CO 0.16 -0.41 1.09 -1.25 -2.47 0.00 0.00 174.74 171.86 2kkp s PRO 109 N 2.14 0.79 -0.06 2.88 0.04 -1.26 -4.93 135.00 134.60 2kkp s PRO 109 Ca -0.06 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.62 2kkp s PRO 109 Cb -0.06 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2kkp s PRO 109 CO -0.17 -2.58 0.68 -0.51 0.04 0.00 0.00 177.00 174.46 2kkp s LEU 110 N -6.45 4.33 0.02 -3.56 2.01 -1.26 -4.91 118.68 108.86 2kkp s LEU 110 Ca 0.65 1.18 0.27 0.00 0.01 0.00 0.00 54.13 56.23 2kkp s LEU 110 Cb -0.20 -3.05 1.12 0.00 0.01 0.00 0.00 46.19 44.08 2kkp s LEU 110 CO 0.58 -0.08 1.85 -1.84 1.01 0.00 0.00 176.35 177.87 2kkp n GLU 111 N 3.63 0.02 -0.39 1.70 0.00 -1.26 -5.03 120.64 119.31 2kkp n GLU 111 Ca -0.02 0.05 0.05 0.00 0.00 0.00 0.00 57.16 57.24 2kkp n GLU 111 Cb 0.51 -1.52 -0.02 0.00 0.00 0.00 0.00 31.44 30.41 2kkp n GLU 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kkp n HIS 112 N -1.56 -1.00 -1.99 -1.84 8.25 -1.26 -4.73 115.22 111.09 2kkp n HIS 112 Ca 0.06 0.51 -0.33 0.00 -0.26 0.00 0.00 57.72 57.71 2kkp n HIS 112 Cb 0.32 -0.91 -0.04 0.00 1.12 0.00 0.00 29.99 30.49 2kkp n HIS 112 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kkp s HIS 113 N -1.86 1.66 -0.58 4.41 3.76 -1.26 -4.91 115.29 116.50 2kkp s HIS 113 Ca 0.00 0.83 -0.21 0.00 -0.15 0.00 0.00 55.06 55.52 2kkp s HIS 113 Cb 0.00 -4.01 0.07 0.00 1.11 0.00 0.00 32.58 29.74 2kkp s HIS 113 CO 0.00 -2.07 0.83 -1.01 -0.85 0.00 0.00 174.74 171.64 2kkp s HIS 114 N 9.92 2.85 0.00 1.40 3.76 -1.26 -5.00 115.29 126.97 2kkp s HIS 114 Ca 0.71 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2kkp s HIS 114 Cb -0.11 -4.00 0.00 0.00 1.11 0.00 0.00 32.58 29.59 2kkp s HIS 114 CO 0.12 -1.36 0.00 1.58 -0.85 0.00 0.00 174.74 174.23 2kkp n HIS 115 N 7.02 0.00 0.00 1.40 -0.00 -1.26 -4.86 115.22 117.52 2kkp n HIS 115 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2kkp n HIS 115 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2kkp n HIS 115 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkp n HIS 116 N 0.00 0.00 1.87 1.57 -0.00 -1.17 -3.93 115.22 113.56 2kkp n HIS 116 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 2kkp n HIS 116 Cb 0.00 0.00 0.89 0.00 -0.12 0.00 0.00 29.99 30.76 2kkp n HIS 116 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52