#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp n ILE 2 N 0.00 0.83 -2.85 3.17 3.06 -1.26 -4.92 119.36 117.39 2kkp n ILE 2 Ca 0.00 -0.61 -0.42 0.00 -2.50 0.00 0.00 62.75 59.23 2kkp n ILE 2 Cb 0.00 -0.41 -0.04 0.00 0.54 0.00 0.00 39.64 39.73 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 2kkp s GLU 3 N -2.57 4.33 -0.73 9.51 2.02 -1.26 -4.96 118.70 125.03 2kkp s GLU 3 Ca -0.07 1.10 -0.26 0.00 0.02 0.00 0.00 54.97 55.76 2kkp s GLU 3 Cb 0.06 -3.56 -0.07 0.00 0.10 0.00 0.00 34.13 30.66 2kkp s GLU 3 CO 0.66 -0.32 2.15 -1.25 0.02 0.00 0.00 175.26 176.53 2kkp s PRO 4 N 2.09 2.21 -0.55 0.39 0.04 -1.26 -4.90 135.00 133.02 2kkp s PRO 4 Ca 0.40 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 2kkp s PRO 4 Cb -0.17 -4.75 -0.02 0.00 0.04 0.00 0.00 34.50 29.61 2kkp s PRO 4 CO 0.14 -3.52 1.83 -1.12 0.04 0.00 0.00 177.00 174.36 2kkp s SER 5 N 9.66 5.44 -0.70 6.66 0.01 -1.26 -4.93 113.70 128.57 2kkp s SER 5 Ca 0.81 0.54 -0.22 0.00 1.31 0.00 0.00 55.95 58.38 2kkp s SER 5 Cb -0.12 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.66 2kkp s SER 5 CO 0.11 -2.21 1.01 -1.59 0.41 0.00 0.00 173.24 170.98 2kkp s LYS 6 N 6.68 3.17 -0.46 12.44 -2.85 -1.26 -5.00 119.74 132.47 2kkp s LYS 6 Ca 0.69 -0.89 -0.18 0.00 -1.00 0.00 0.00 55.97 54.59 2kkp s LYS 6 Cb -0.14 -4.32 0.04 0.00 -2.06 0.00 0.00 37.83 31.34 2kkp s LYS 6 CO 0.24 -1.85 0.54 0.42 0.10 0.00 0.00 175.35 174.80 2kkp s ILE 7 N 4.07 4.98 0.82 3.79 -1.09 -1.26 -5.05 121.20 127.46 2kkp s ILE 7 Ca 0.25 -0.39 -0.12 0.00 -2.23 0.00 0.00 60.65 58.16 2kkp s ILE 7 Cb -0.15 -4.17 0.08 0.00 -1.58 0.00 0.00 42.46 36.65 2kkp s ILE 7 CO 0.08 -0.61 1.13 0.42 -1.23 0.00 0.00 174.94 174.74 2kkp s THR 8 N 2.39 2.49 0.19 2.92 -4.23 -1.26 -4.41 115.64 113.72 2kkp s THR 8 Ca 0.14 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.69 2kkp s THR 8 Cb -0.18 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 70.73 2kkp s THR 8 CO 0.13 -0.21 1.77 0.58 -0.54 0.00 0.00 174.62 176.36 2kkp h VAL 9 N -1.13 0.91 -0.17 2.29 2.07 -1.34 -1.12 116.25 117.75 2kkp h VAL 9 Ca -0.47 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2kkp h VAL 9 Cb 1.30 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2kkp h VAL 9 CO 0.63 0.09 -0.15 1.05 0.02 0.00 0.00 177.57 179.20 2kkp h GLU 10 N 0.48 0.27 0.16 1.57 4.11 -1.92 -1.93 114.58 117.32 2kkp h GLU 10 Ca 0.25 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.60 2kkp h GLU 10 Cb 0.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kkp h GLU 10 CO -0.20 0.43 -0.08 0.37 0.07 0.00 0.00 179.01 179.60 2kkp h GLN 11 N 0.25 -0.21 0.05 1.06 5.75 -1.51 -2.07 115.11 118.43 2kkp h GLN 11 Ca 0.05 0.01 -0.24 0.00 -0.15 0.00 0.00 58.65 58.32 2kkp h GLN 11 Cb 0.43 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.03 2kkp h GLN 11 CO 0.03 0.09 -1.05 0.11 -2.65 0.00 0.00 178.83 175.35 2kkp h TRP 12 N -0.51 0.56 -0.58 3.99 5.08 -1.51 -3.32 115.95 119.66 2kkp h TRP 12 Ca -0.02 -0.34 -0.09 0.00 1.08 0.00 0.00 58.89 59.51 2kkp h TRP 12 Cb 0.39 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 26.48 2kkp h TRP 12 CO 0.02 1.19 -0.01 1.25 -1.28 0.00 0.00 178.44 179.61 2kkp h LEU 13 N 0.17 0.98 -0.36 0.11 5.85 -1.35 0.44 115.31 121.15 2kkp h LEU 13 Ca -0.10 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2kkp h LEU 13 Cb 1.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 2kkp h LEU 13 CO 0.18 1.04 0.21 -1.13 -0.34 0.00 0.00 178.44 178.40 2kkp h ASN 14 N 0.92 0.34 1.14 1.25 -0.73 -1.47 -1.43 115.58 115.59 2kkp h ASN 14 Ca 0.16 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.16 2kkp h ASN 14 Cb 0.55 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 2kkp h ASN 14 CO 0.03 0.24 -0.87 0.08 -0.37 0.00 0.00 177.43 176.54 2kkp h ARG 15 N 0.43 0.00 0.21 6.67 0.11 -1.62 -3.20 114.38 116.97 2kkp h ARG 15 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 2kkp h ARG 15 Cb 0.01 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 2kkp h ARG 15 CO -0.07 0.77 -0.20 2.35 0.10 0.00 0.00 179.97 182.93 2kkp h TRP 16 N 0.00 -0.52 0.00 4.08 7.01 0.37 -1.91 115.95 124.98 2kkp h TRP 16 Ca -0.03 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 2kkp h TRP 16 Cb 1.64 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.89 2kkp h TRP 16 CO 0.00 -0.30 -0.17 1.37 -2.79 0.00 0.00 178.44 176.55 2kkp h LEU 17 N -0.43 0.00 -0.90 0.65 8.10 -1.38 0.42 115.31 121.78 2kkp h LEU 17 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2kkp h LEU 17 Cb 0.40 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2kkp h LEU 17 CO -0.04 0.17 0.06 0.74 -4.11 0.00 0.00 178.44 175.26 2kkp h THR 18 N 0.00 1.24 0.00 0.15 2.02 -1.36 -2.83 112.91 112.14 2kkp h THR 18 Ca -0.00 -0.96 -0.36 0.00 0.77 0.00 0.00 66.41 65.85 2kkp h THR 18 Cb 0.38 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2kkp h THR 18 CO 0.02 0.35 -2.05 0.47 0.37 0.00 0.00 175.52 174.68 2kkp n ASP 19 N -4.23 1.93 -1.01 4.18 8.00 -0.79 -4.66 116.55 119.97 2kkp n ASP 19 Ca 0.03 0.37 0.11 0.00 0.71 0.00 0.00 54.79 56.01 2kkp n ASP 19 Cb 0.28 -0.86 0.26 0.00 -0.02 0.00 0.00 41.12 40.78 2kkp n ASP 19 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kkp n TYR 20 N -4.32 0.51 -0.30 1.24 4.01 0.14 -4.30 117.16 114.13 2kkp n TYR 20 Ca -0.45 -0.26 0.03 0.00 -0.16 0.00 0.00 57.90 57.06 2kkp n TYR 20 Cb 0.79 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 40.00 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kkp h ALA 21 N 4.30 1.21 -2.24 -0.72 0.00 -1.61 -3.48 119.26 116.72 2kkp h ALA 21 Ca 0.00 0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.15 2kkp h ALA 21 Cb 0.82 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 2kkp h ALA 21 CO 0.00 0.14 -0.81 1.63 0.00 0.00 0.00 179.25 180.21 2kkp n LYS 22 N -4.71 -2.14 -2.31 0.00 5.02 -1.26 -4.52 118.16 108.23 2kkp n LYS 22 Ca 0.14 1.76 -0.34 0.00 -2.02 0.00 0.00 58.31 57.84 2kkp n LYS 22 Cb 0.27 -2.49 -0.04 0.00 -0.02 0.00 0.00 35.03 32.75 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 -3.88 3.10 0.33 1.97 0.04 -1.26 -4.98 135.00 130.32 2kkp s PRO 23 Ca 0.00 -0.79 -0.25 0.00 0.04 0.00 0.00 61.00 60.00 2kkp s PRO 23 Cb 0.00 -5.23 -0.10 0.00 0.04 0.00 0.00 34.50 29.21 2kkp s PRO 23 CO 0.00 -2.81 0.93 -1.01 0.04 0.00 0.00 177.00 174.16 2kkp s HIS 24 N 7.48 3.66 0.51 0.56 3.76 -1.26 -5.08 115.29 124.91 2kkp s HIS 24 Ca 0.58 1.75 0.08 0.00 -0.15 0.00 0.00 55.06 57.32 2kkp s HIS 24 Cb -0.03 -2.90 0.03 0.00 1.11 0.00 0.00 32.58 30.80 2kkp s HIS 24 CO -0.04 0.19 0.53 -0.48 -0.85 0.00 0.00 174.74 174.09 2kkp s LEU 25 N -2.14 3.11 0.33 0.89 2.34 -1.26 -4.43 118.68 117.52 2kkp s LEU 25 Ca 0.51 -0.90 0.00 0.00 0.06 0.00 0.00 54.13 53.80 2kkp s LEU 25 Cb -0.18 -1.71 0.00 0.00 -0.56 0.00 0.00 46.19 43.74 2kkp s LEU 25 CO 0.23 -1.02 0.00 0.54 -1.06 0.00 0.00 176.35 175.04 2kkp n ARG 26 N -1.86 -1.90 -3.49 1.48 1.74 -1.26 -4.29 116.66 107.08 2kkp n ARG 26 Ca 0.06 1.50 -0.09 0.00 -0.77 0.00 0.00 57.85 58.54 2kkp n ARG 26 Cb 0.62 -2.23 -0.02 0.00 -1.02 0.00 0.00 32.46 29.81 2kkp n ARG 26 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2kkp s GLN 27 N -3.31 1.01 0.00 5.56 -2.07 -1.26 -0.28 119.66 119.30 2kkp s GLN 27 Ca 0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 55.36 53.16 2kkp s GLN 27 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 2kkp s GLN 27 CO 0.00 -0.44 0.00 -1.13 -1.32 0.00 0.00 175.29 172.40 2kkp n SER 28 N -0.30 0.00 0.00 12.60 3.41 -1.26 -4.95 113.62 123.12 2kkp n SER 28 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2kkp n SER 28 Cb 0.63 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2kkp n SER 28 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2kkp n THR 29 N -1.52 0.00 -2.47 6.66 5.66 -1.26 -4.89 114.28 116.46 2kkp n THR 29 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2kkp n THR 29 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2kkp n THR 29 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2kkp s TRP 30 N 0.00 3.51 -1.15 1.09 0.51 -1.26 -4.34 118.94 117.29 2kkp s TRP 30 Ca 0.00 1.22 -0.14 0.00 -2.12 0.00 0.00 56.10 55.06 2kkp s TRP 30 Cb 0.00 -2.61 0.18 0.00 -0.81 0.00 0.00 33.47 30.24 2kkp s TRP 30 CO 0.00 -0.34 1.34 -1.21 -0.51 0.00 0.00 176.95 176.23 2kkp s GLU 31 N -4.30 4.04 -0.20 4.98 8.01 -1.26 -4.75 118.70 125.22 2kkp s GLU 31 Ca 0.54 -2.57 -0.14 0.00 0.01 0.00 0.00 54.97 52.81 2kkp s GLU 31 Cb -0.10 -4.96 -0.19 0.00 -4.31 0.00 0.00 34.13 24.56 2kkp s GLU 31 CO 0.37 -1.69 0.09 0.43 0.01 0.00 0.00 175.26 174.48 2kkp n SER 32 N 5.31 1.96 -0.20 -0.19 7.64 -1.26 -4.43 113.62 122.46 2kkp n SER 32 Ca 0.33 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.38 2kkp n SER 32 Cb 0.43 -0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 2kkp n SER 32 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2kkp h TYR 33 N -0.61 -1.61 -0.17 1.43 5.03 -2.00 0.13 116.97 119.17 2kkp h TYR 33 Ca -0.47 0.09 -0.18 0.00 2.58 0.00 0.00 58.73 60.75 2kkp h TYR 33 Cb 1.62 0.77 -0.00 0.00 1.55 0.00 0.00 36.73 40.67 2kkp h TYR 33 CO 0.05 -0.42 -0.64 1.05 -1.32 0.00 0.00 178.16 176.87 2kkp h GLU 34 N -0.27 0.63 -0.15 1.82 -0.00 -1.99 -3.09 114.58 111.52 2kkp h GLU 34 Ca 0.09 -0.45 -0.03 0.00 -0.00 0.00 0.00 59.36 58.97 2kkp h GLU 34 Cb 0.50 0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.32 2kkp h GLU 34 CO -0.63 1.07 -0.01 1.15 -0.00 0.00 0.00 179.01 180.59 2kkp h THR 35 N 0.46 1.26 -0.63 -1.06 2.02 -1.58 -1.32 112.91 112.06 2kkp h THR 35 Ca -0.01 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 2kkp h THR 35 Cb 1.22 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 2kkp h THR 35 CO 0.12 0.26 0.04 -0.37 0.37 0.00 0.00 175.52 175.95 2kkp h VAL 36 N 0.01 1.26 0.41 3.16 -1.51 -0.81 0.64 116.25 119.41 2kkp h VAL 36 Ca 0.04 -1.10 -0.02 0.00 -1.23 0.00 0.00 66.70 64.39 2kkp h VAL 36 Cb 0.40 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2kkp h VAL 36 CO 0.01 0.41 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.49 2kkp h LEU 37 N 0.99 -0.46 -0.10 4.19 4.07 -1.56 -2.47 115.31 119.96 2kkp h LEU 37 Ca 0.18 -0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.04 2kkp h LEU 37 Cb 0.51 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 2kkp h LEU 37 CO 0.02 -0.08 -0.23 -0.09 -1.08 0.00 0.00 178.44 176.98 2kkp h ARG 38 N -0.92 -0.21 -0.82 1.13 9.65 -1.15 0.18 114.38 122.24 2kkp h ARG 38 Ca -0.06 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.97 2kkp h ARG 38 Cb 0.55 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 29.09 2kkp h ARG 38 CO 0.09 -0.14 0.42 1.25 2.80 0.00 0.00 179.97 184.39 2kkp h LEU 39 N -0.22 0.52 0.00 3.80 5.85 -0.98 -2.97 115.31 121.32 2kkp h LEU 39 Ca 0.02 0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 2kkp h LEU 39 Cb 0.27 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2kkp h LEU 39 CO -0.21 0.24 -1.54 1.41 -0.34 0.00 0.00 178.44 178.00 2kkp n HIS 40 N -4.86 0.04 0.61 1.25 8.25 -0.93 -4.74 115.22 114.84 2kkp n HIS 40 Ca 0.15 0.02 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 2kkp n HIS 40 Cb 0.39 -0.69 -0.04 0.00 1.12 0.00 0.00 29.99 30.77 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 -4.39 0.09 -0.04 1.59 0.24 0.52 -4.19 118.33 112.16 2kkp n VAL 41 Ca -0.29 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 2kkp n VAL 41 Cb 0.65 0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.34 0.00 1.34 5.03 -1.09 0.87 117.51 124.99 2kkp h ILE 42 Ca 0.00 -1.12 0.00 0.00 -0.12 0.00 0.00 64.86 63.62 2kkp h ILE 42 Cb 0.70 1.90 0.00 0.00 -3.03 0.00 0.00 36.82 36.39 2kkp h ILE 42 CO 0.00 0.31 0.00 -2.65 -0.68 0.00 0.00 178.15 175.13 2kkp n PRO 43 N -4.73 0.03 -0.01 2.37 -0.02 -1.26 -1.60 135.00 129.79 2kkp n PRO 43 Ca -0.07 0.16 -0.02 0.00 -2.02 0.00 0.00 63.50 61.55 2kkp n PRO 43 Cb 0.28 -1.50 -0.01 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 -1.48 0.41 -0.07 3.45 -2.24 -1.15 -4.75 114.28 108.45 2kkp n THR 44 Ca 0.05 0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 62.04 2kkp n THR 44 Cb 0.22 -1.54 -0.15 0.00 -2.10 0.00 0.00 70.33 66.76 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 -2.97 0.21 0.29 3.22 4.77 0.94 -4.26 117.00 119.20 2kkp n LEU 45 Ca -0.03 0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 2kkp n LEU 45 Cb 0.10 0.39 0.81 0.00 -2.33 0.00 0.00 43.42 42.39 2kkp n LEU 45 CO 0.04 0.43 1.02 1.23 -1.33 0.00 0.00 177.39 178.79 2kkp h GLY 46 N 3.89 0.00 0.82 -0.72 0.00 0.87 -0.29 103.07 107.63 2kkp h GLY 46 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2kkp h GLY 46 CO 0.04 0.00 -0.09 1.44 0.00 0.00 0.00 176.54 177.93 2kkp n SER 47 N -3.22 0.50 -4.68 0.19 7.64 -0.62 -1.38 113.62 112.04 2kkp n SER 47 Ca -0.01 -0.68 -0.35 0.00 1.01 0.00 0.00 58.87 58.84 2kkp n SER 47 Cb 0.24 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.39 4.77 0.52 0.44 1.01 -0.12 -4.92 121.20 120.51 2kkp s ILE 48 Ca 0.32 -0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 2kkp s ILE 48 Cb 0.20 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 2kkp s ILE 48 CO 0.45 0.51 1.32 -2.65 0.00 0.00 0.00 174.94 174.58 2kkp n PRO 49 N 3.02 1.73 0.29 2.79 -0.02 -1.26 -3.92 135.00 137.63 2kkp n PRO 49 Ca -0.17 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.10 2kkp n PRO 49 Cb 0.53 -2.51 0.85 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.57 0.00 0.00 2.45 3.38 -1.89 -0.73 115.31 120.09 2kkp h LEU 50 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kkp h LEU 50 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2kkp h LEU 50 CO 0.57 0.06 0.00 0.29 0.09 0.00 0.00 178.44 179.46 2kkp n LYS 51 N -3.41 0.65 0.00 1.13 4.76 -1.26 -2.75 118.16 117.27 2kkp n LYS 51 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kkp n LYS 51 Cb 0.20 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2kkp n LYS 52 N -1.08 3.52 -1.89 1.97 4.81 -0.32 -5.05 118.16 120.12 2kkp n LYS 52 Ca 0.16 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.18 2kkp n LYS 52 Cb 0.11 -0.63 -0.03 0.00 0.02 0.00 0.00 35.03 34.51 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kkp s LEU 53 N -1.93 4.37 0.16 3.14 1.98 -0.96 -5.00 118.68 120.43 2kkp s LEU 53 Ca 0.00 2.46 0.05 0.00 -2.89 0.00 0.00 54.13 53.75 2kkp s LEU 53 Cb 0.00 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.26 2kkp s LEU 53 CO 0.00 -0.94 0.12 -1.10 -1.89 0.00 0.00 176.35 172.54 2kkp s GLN 54 N 3.41 2.85 0.45 1.98 -0.21 -1.26 -4.98 119.66 121.90 2kkp s GLN 54 Ca 0.77 -0.88 0.19 0.00 0.02 0.00 0.00 55.36 55.46 2kkp s GLN 54 Cb -0.39 -2.62 1.09 0.00 1.00 0.00 0.00 33.01 32.09 2kkp s GLN 54 CO 0.33 0.49 1.97 -1.00 -2.12 0.00 0.00 175.29 174.96 2kkp h PRO 55 N 2.50 0.00 -0.57 2.91 0.13 -1.95 -2.84 132.00 132.18 2kkp h PRO 55 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2kkp h PRO 55 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2kkp h PRO 55 CO 0.63 0.21 0.24 0.00 -0.23 0.00 0.00 178.00 178.85 2kkp h ALA 56 N 1.79 0.74 -0.59 -0.56 0.00 -1.94 -1.72 119.26 116.98 2kkp h ALA 56 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2kkp h ALA 56 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kkp h ALA 56 CO 0.03 0.35 0.15 -0.44 0.00 0.00 0.00 179.25 179.33 2kkp h ASP 57 N 0.79 0.85 0.63 0.00 3.32 -1.92 0.15 116.42 120.24 2kkp h ASP 57 Ca 0.19 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2kkp h ASP 57 Cb 0.18 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kkp h ASP 57 CO -0.02 0.83 -0.34 0.40 -1.72 0.00 0.00 179.24 178.40 2kkp h ILE 58 N 0.88 0.31 -0.28 0.35 2.04 -1.35 0.15 117.51 119.61 2kkp h ILE 58 Ca 0.19 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 2kkp h ILE 58 Cb 0.31 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2kkp h ILE 58 CO -0.00 0.00 -0.11 -0.61 0.00 0.00 0.00 178.15 177.43 2kkp h GLN 59 N -0.90 0.46 -0.59 2.37 5.75 -1.16 -2.13 115.11 118.91 2kkp h GLN 59 Ca -0.08 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 2kkp h GLN 59 Cb 0.71 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 2kkp h GLN 59 CO 0.12 0.58 0.25 -0.09 -2.65 0.00 0.00 178.83 177.03 2kkp h ARG 60 N 0.43 0.87 -0.26 1.69 2.43 -0.53 -1.99 114.38 117.02 2kkp h ARG 60 Ca 0.08 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2kkp h ARG 60 Cb 0.46 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 2kkp h ARG 60 CO 0.03 0.73 -0.05 1.25 -1.51 0.00 0.00 179.97 180.41 2kkp h LEU 61 N 0.81 -0.22 -0.25 3.80 7.12 -0.03 0.21 115.31 126.75 2kkp h LEU 61 Ca 0.20 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 2kkp h LEU 61 Cb 0.18 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 2kkp h LEU 61 CO -0.02 -0.07 0.11 1.88 -0.13 0.00 0.00 178.44 180.21 2kkp h TYR 62 N 0.01 0.36 -0.54 1.25 0.05 -1.38 -2.73 116.97 114.00 2kkp h TYR 62 Ca 0.12 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 2kkp h TYR 62 Cb 0.18 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 2kkp h TYR 62 CO -0.25 0.36 -0.03 0.00 -1.05 0.00 0.00 178.16 177.19 2kkp h ALA 63 N 0.97 0.73 -0.60 3.88 0.00 -0.94 0.32 119.26 123.61 2kkp h ALA 63 Ca 0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2kkp h ALA 63 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2kkp h ALA 63 CO -0.01 0.58 0.05 0.66 0.00 0.00 0.00 179.25 180.53 2kkp h SER 64 N 0.84 0.99 1.42 0.00 4.64 -0.56 -1.84 113.55 119.04 2kkp h SER 64 Ca 0.15 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2kkp h SER 64 Cb 0.58 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2kkp h SER 64 CO 0.03 1.02 -0.47 0.50 -0.87 0.00 0.00 176.83 177.04 2kkp h LYS 65 N 0.92 0.00 -0.13 4.77 1.63 -1.43 -3.10 116.57 119.23 2kkp h LYS 65 Ca 0.18 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.90 2kkp h LYS 65 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2kkp h LYS 65 CO 0.02 0.00 -0.27 1.25 -3.45 0.00 0.00 179.45 177.00 2kkp h LEU 66 N 0.00 0.23 -0.91 5.20 5.85 -0.57 -3.18 115.31 121.92 2kkp h LEU 66 Ca 0.00 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2kkp h LEU 66 Cb 0.95 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2kkp h LEU 66 CO 0.00 0.50 0.60 -0.08 -0.34 0.00 0.00 178.44 179.12 2kkp h GLU 67 N 0.21 1.20 0.03 1.25 4.81 -1.26 -3.09 114.58 117.73 2kkp h GLU 67 Ca 0.03 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kkp h GLU 67 Cb 0.59 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2kkp h GLU 67 CO 0.04 0.80 -0.01 0.66 -0.73 0.00 0.00 179.01 179.77 2kkp h SER 68 N 1.24 -0.03 0.00 1.04 4.64 -1.69 -3.45 113.55 115.29 2kkp h SER 68 Ca 0.33 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2kkp h SER 68 Cb -0.13 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2kkp h SER 68 CO -0.07 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 2kkp n GLY 69 N 0.50 0.00 3.98 -0.77 0.00 -1.21 -5.16 105.19 102.54 2kkp n GLY 69 Ca -0.09 0.00 -0.19 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 3.98 0.12 0.99 1.43 -1.17 -5.05 118.68 118.98 2kkp s LEU 70 Ca 0.00 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2kkp s LEU 70 Cb 0.00 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2kkp s LEU 70 CO 0.00 -0.40 0.03 -0.94 0.23 0.00 0.00 176.35 175.27 2kkp s SER 71 N -4.15 5.13 0.61 2.29 1.04 -1.26 -4.85 113.70 112.51 2kkp s SER 71 Ca 0.44 -0.18 0.31 0.00 0.48 0.00 0.00 55.95 57.00 2kkp s SER 71 Cb -0.09 -1.24 1.75 0.00 0.10 0.00 0.00 66.02 66.53 2kkp s SER 71 CO 0.31 0.14 2.09 -0.65 0.98 0.00 0.00 173.24 176.11 2kkp h PRO 72 N 3.13 0.00 0.23 4.02 0.11 -1.98 -1.71 132.00 135.79 2kkp h PRO 72 Ca -0.47 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 2kkp h PRO 72 Cb 1.18 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.32 2kkp h PRO 72 CO 0.61 0.00 -1.52 1.79 -0.21 0.00 0.00 178.00 178.67 2kkp h THR 73 N 0.00 1.23 -0.17 -1.15 1.35 -1.98 -2.30 112.91 109.89 2kkp h THR 73 Ca 0.07 -2.70 -0.16 0.00 -0.55 0.00 0.00 66.41 63.06 2kkp h THR 73 Cb 0.50 2.97 -0.01 0.00 -1.73 0.00 0.00 68.15 69.89 2kkp h THR 73 CO -0.00 0.83 -0.57 0.03 -0.25 0.00 0.00 175.52 175.56 2kkp h ARG 74 N 0.13 0.53 0.00 4.72 3.08 -1.75 -1.86 114.38 119.23 2kkp h ARG 74 Ca -0.26 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.41 2kkp h ARG 74 Cb 2.14 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.23 2kkp h ARG 74 CO 0.25 0.95 -0.16 -0.39 -1.07 0.00 0.00 179.97 179.55 2kkp h VAL 75 N 0.40 0.32 -0.24 2.04 -1.51 -1.49 -3.13 116.25 112.64 2kkp h VAL 75 Ca 0.00 -1.17 -0.09 0.00 -1.23 0.00 0.00 66.70 64.22 2kkp h VAL 75 Cb 1.11 1.91 -0.00 0.00 -2.13 0.00 0.00 31.29 32.18 2kkp h VAL 75 CO 0.11 0.16 -0.20 -0.09 -1.23 0.00 0.00 177.57 176.31 2kkp h ARG 76 N 0.00 0.56 -0.24 5.19 2.43 -0.85 -1.31 114.38 120.16 2kkp h ARG 76 Ca -0.00 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 2kkp h ARG 76 Cb 0.90 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 2kkp h ARG 76 CO 0.02 0.86 0.07 -0.92 -1.51 0.00 0.00 179.97 178.49 2kkp h TYR 77 N 0.26 0.12 -0.65 2.20 3.20 -1.34 0.16 116.97 120.92 2kkp h TYR 77 Ca 0.04 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2kkp h TYR 77 Cb 0.74 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 2kkp h TYR 77 CO 0.07 0.05 0.43 0.82 -1.64 0.00 0.00 178.16 177.89 2kkp h ILE 78 N 0.17 1.10 -0.54 1.81 2.04 -1.52 0.95 117.51 121.52 2kkp h ILE 78 Ca 0.11 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 2kkp h ILE 78 Cb 0.09 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 2kkp h ILE 78 CO -0.12 0.15 -0.09 -0.74 0.00 0.00 0.00 178.15 177.34 2kkp h HIS 79 N 0.80 1.10 -0.03 1.37 2.76 -0.01 -2.01 115.15 119.12 2kkp h HIS 79 Ca 0.26 -0.22 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 2kkp h HIS 79 Cb 0.04 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.73 2kkp h HIS 79 CO -0.00 1.02 -0.11 0.28 -1.30 0.00 0.00 177.93 177.81 2kkp h VAL 80 N 0.89 1.48 -0.62 5.26 2.07 0.31 -2.20 116.25 123.44 2kkp h VAL 80 Ca 0.14 -1.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.02 2kkp h VAL 80 Cb 0.64 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 2kkp h VAL 80 CO 0.04 0.43 0.16 1.62 0.02 0.00 0.00 177.57 179.84 2kkp h VAL 81 N -0.46 1.24 -0.08 2.57 3.04 -0.88 -1.96 116.25 119.72 2kkp h VAL 81 Ca -0.01 -0.88 -0.14 0.00 -1.01 0.00 0.00 66.70 64.67 2kkp h VAL 81 Cb 0.76 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2kkp h VAL 81 CO 0.02 0.33 -0.55 0.25 -1.01 0.00 0.00 177.57 176.61 2kkp h LEU 82 N 0.92 0.27 -0.16 3.16 5.85 -1.44 -2.59 115.31 121.32 2kkp h LEU 82 Ca 0.20 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2kkp h LEU 82 Cb 0.32 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2kkp h LEU 82 CO -0.00 0.77 -0.08 -0.74 -0.34 0.00 0.00 178.44 178.04 2kkp h HIS 83 N 0.19 -0.20 -0.30 1.25 2.76 -0.70 -1.67 115.15 116.48 2kkp h HIS 83 Ca 0.00 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.01 2kkp h HIS 83 Cb 1.03 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 2kkp h HIS 83 CO 0.02 -0.13 -0.51 1.49 -1.30 0.00 0.00 177.93 177.50 2kkp h GLU 84 N -0.07 0.87 0.25 5.26 4.81 -1.42 -2.54 114.58 121.75 2kkp h GLU 84 Ca 0.09 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2kkp h GLU 84 Cb 0.21 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kkp h GLU 84 CO -0.21 1.18 -0.12 0.00 -0.73 0.00 0.00 179.01 179.13 2kkp h ALA 85 N 0.69 -0.33 0.00 2.92 0.00 -1.29 -2.52 119.26 118.72 2kkp h ALA 85 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kkp h ALA 85 Cb 1.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kkp h ALA 85 CO 0.12 -0.65 0.00 0.52 0.00 0.00 0.00 179.25 179.23 2kkp h MET 86 N -0.41 0.00 -0.14 0.00 2.86 -1.38 -2.54 114.93 113.32 2kkp h MET 86 Ca -0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2kkp h MET 86 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2kkp h MET 86 CO 0.06 0.00 -0.24 1.03 1.06 0.00 0.00 176.91 178.81 2kkp h SER 87 N 0.00 0.25 0.80 1.22 0.87 -1.00 -1.54 113.55 114.16 2kkp h SER 87 Ca 0.00 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 2kkp h SER 87 Cb 0.51 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2kkp h SER 87 CO 0.00 0.50 -0.70 -0.61 -0.53 0.00 0.00 176.83 175.50 2kkp h GLN 88 N 0.23 0.00 -0.14 2.24 5.75 -1.34 -2.91 115.11 118.95 2kkp h GLN 88 Ca 0.04 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 2kkp h GLN 88 Cb 0.56 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 2kkp h GLN 88 CO 0.04 0.70 -0.43 0.00 -2.65 0.00 0.00 178.83 176.49 2kkp h ALA 89 N 1.30 1.02 -0.63 3.38 0.00 -1.40 -2.65 119.26 120.27 2kkp h ALA 89 Ca -0.01 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2kkp h ALA 89 Cb 1.29 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2kkp h ALA 89 CO 0.09 0.62 0.37 -0.09 0.00 0.00 0.00 179.25 180.24 2kkp h ARG 90 N 0.26 0.69 -0.76 0.00 2.43 -1.11 -0.28 114.38 115.61 2kkp h ARG 90 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kkp h ARG 90 Cb 0.87 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 2kkp h ARG 90 CO 0.07 0.46 0.47 0.93 -1.51 0.00 0.00 179.97 180.39 2kkp h GLU 91 N 0.72 1.03 0.00 0.20 4.39 -1.36 -1.45 114.58 118.10 2kkp h GLU 91 Ca 0.27 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2kkp h GLU 91 Cb 0.09 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2kkp h GLU 91 CO -0.13 0.72 -0.09 1.03 -1.16 0.00 0.00 179.01 179.37 2kkp h SER 92 N 1.04 0.00 0.00 1.42 0.87 -1.14 -3.46 113.55 112.28 2kkp h SER 92 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2kkp h SER 92 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kkp h SER 92 CO -0.05 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 2kkp n GLY 93 N -0.37 0.84 0.21 5.77 0.00 -0.55 -4.96 105.19 106.13 2kkp n GLY 93 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.60 -8.19 0.99 3.38 -1.26 -3.39 115.31 107.43 2kkp h LEU 94 Ca 0.00 -0.32 -0.67 0.00 0.09 0.00 0.00 57.88 56.98 2kkp h LEU 94 Cb 0.00 -0.17 -0.31 0.00 0.09 0.00 0.00 40.66 40.27 2kkp h LEU 94 CO 0.00 1.03 -0.72 -0.76 0.09 0.00 0.00 178.44 178.07 2kkp s LEU 95 N -8.33 3.32 0.44 1.67 2.01 -1.14 -4.47 118.68 112.18 2kkp s LEU 95 Ca -0.07 -0.85 0.24 0.00 0.01 0.00 0.00 54.13 53.46 2kkp s LEU 95 Cb 0.11 -1.70 0.97 0.00 0.01 0.00 0.00 46.19 45.58 2kkp s LEU 95 CO 0.84 -0.14 1.85 0.17 1.01 0.00 0.00 176.35 180.08 2kkp h LEU 96 N 8.05 0.00 0.00 1.79 -0.00 -1.86 -3.38 115.31 119.91 2kkp h LEU 96 Ca -0.32 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.99 2kkp h LEU 96 Cb 1.11 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.65 2kkp h LEU 96 CO 0.58 0.23 -0.46 0.00 -0.00 0.00 0.00 178.44 178.80 2kkp n GLN 97 N -3.47 0.65 -3.80 0.17 10.64 -1.26 -5.12 117.38 115.20 2kkp n GLN 97 Ca -0.00 -3.43 -0.35 0.00 -1.83 0.00 0.00 57.00 51.39 2kkp n GLN 97 Cb 0.41 1.57 -0.12 0.00 -0.86 0.00 0.00 30.24 31.25 2kkp n GLN 97 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kkp s ASN 98 N -3.52 5.08 0.21 2.61 4.22 -1.26 -4.84 114.94 117.43 2kkp s ASN 98 Ca 0.14 -2.46 0.07 0.00 -2.14 0.00 0.00 52.86 48.47 2kkp s ASN 98 Cb 0.01 -1.79 0.12 0.00 1.28 0.00 0.00 41.25 40.86 2kkp s ASN 98 CO 0.10 -0.42 1.47 1.55 -2.04 0.00 0.00 177.10 177.75 2kkp h PRO 99 N 7.44 0.06 0.00 3.55 0.13 -1.95 -2.00 132.00 139.23 2kkp h PRO 99 Ca -0.07 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2kkp h PRO 99 Cb 0.99 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2kkp h PRO 99 CO 0.68 0.80 0.00 1.79 -0.23 0.00 0.00 178.00 181.05 2kkp h THR 100 N 0.04 0.00 0.00 1.56 1.35 -1.92 -2.44 112.91 111.50 2kkp h THR 100 Ca -0.02 -0.64 -0.14 0.00 -0.55 0.00 0.00 66.41 65.06 2kkp h THR 100 Cb 1.37 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 69.39 2kkp h THR 100 CO 0.11 0.00 -1.77 1.21 -0.25 0.00 0.00 175.52 174.82 2kkp n GLU 101 N -3.02 0.65 0.07 4.72 0.00 -1.16 -3.79 120.64 118.10 2kkp n GLU 101 Ca 0.02 0.03 0.10 0.00 0.00 0.00 0.00 57.16 57.31 2kkp n GLU 101 Cb 0.37 -1.66 0.43 0.00 0.00 0.00 0.00 31.44 30.59 2kkp n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kkp n ALA 102 N -2.41 1.78 -1.97 4.31 0.00 -0.76 -4.68 120.51 116.79 2kkp n ALA 102 Ca -0.12 0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 2kkp n ALA 102 Cb 0.79 -1.35 0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.16 3.25 0.33 0.00 0.00 -0.96 -4.98 121.76 116.24 2kkp s ALA 103 Ca 0.07 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2kkp s ALA 103 Cb 0.10 -2.30 -0.10 0.00 0.00 0.00 0.00 23.12 20.82 2kkp s ALA 103 CO 0.38 -1.66 1.36 0.15 0.00 0.00 0.00 175.76 175.99 2kkp s LYS 104 N -5.34 4.30 -0.57 0.00 1.02 -1.26 -4.76 119.74 113.13 2kkp s LYS 104 Ca 0.67 2.29 -0.38 0.00 0.02 0.00 0.00 55.97 58.57 2kkp s LYS 104 Cb -0.06 -3.06 -0.17 0.00 -0.52 0.00 0.00 37.83 34.02 2kkp s LYS 104 CO 0.46 -0.28 2.29 -0.35 -0.92 0.00 0.00 175.35 176.55 2kkp n PRO 105 N 0.98 0.32 -0.05 -1.68 -0.04 -1.26 -4.86 135.00 128.42 2kkp n PRO 105 Ca 0.01 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2kkp n PRO 105 Cb 0.41 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 2kkp n PRO 105 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2kkp n PRO 106 N 7.97 0.67 0.00 0.54 -0.04 -1.26 -5.07 135.00 137.81 2kkp n PRO 106 Ca 0.53 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2kkp n PRO 106 Cb 0.07 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2kkp n PRO 106 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kkp n ARG 107 N -3.04 0.00 -3.75 0.54 0.63 -1.26 -4.71 116.66 105.07 2kkp n ARG 107 Ca -0.25 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.55 2kkp n ARG 107 Cb 1.08 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.89 2kkp n ARG 107 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2kkp s HIS 108 N 0.00 -0.34 0.00 -0.14 -3.43 -1.26 -4.74 115.29 105.38 2kkp s HIS 108 Ca 0.00 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 55.03 2kkp s HIS 108 Cb 0.00 0.13 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2kkp s HIS 108 CO 0.00 -0.25 0.00 -0.35 -2.00 0.00 0.00 174.74 172.14 2kkp n PRO 109 N 2.41 2.78 -3.60 -0.38 -0.04 -1.26 -5.09 135.00 129.83 2kkp n PRO 109 Ca -0.15 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.91 2kkp n PRO 109 Cb 0.57 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.00 4.38 0.61 1.53 2.01 -1.26 -5.07 118.68 120.88 2kkp s LEU 110 Ca 0.00 -0.59 -0.20 0.00 0.01 0.00 0.00 54.13 53.36 2kkp s LEU 110 Cb 0.00 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 44.12 2kkp s LEU 110 CO 0.00 -0.25 1.32 -0.70 1.01 0.00 0.00 176.35 177.73 2kkp s GLU 111 N 1.64 2.78 0.23 1.70 -6.30 -1.26 -4.88 118.70 112.61 2kkp s GLU 111 Ca 0.05 2.14 -0.06 0.00 -2.50 0.00 0.00 54.97 54.60 2kkp s GLU 111 Cb -0.18 -2.01 -0.06 0.00 0.00 0.00 0.00 34.13 31.89 2kkp s GLU 111 CO 0.08 -1.45 0.49 -3.38 0.02 0.00 0.00 175.26 171.02 2kkp s HIS 112 N -1.35 3.46 0.00 5.30 -3.43 -1.26 -4.67 115.29 113.34 2kkp s HIS 112 Ca 0.78 0.65 0.00 0.00 -0.80 0.00 0.00 55.06 55.70 2kkp s HIS 112 Cb -0.39 -2.10 0.00 0.00 -1.43 0.00 0.00 32.58 28.66 2kkp s HIS 112 CO 0.43 0.29 0.00 1.58 -2.00 0.00 0.00 174.74 175.04 2kkp n HIS 113 N -0.43 0.00 0.00 0.38 -0.00 0.61 -4.93 115.22 110.85 2kkp n HIS 113 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2kkp n HIS 113 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2kkp n HIS 113 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkp n HIS 114 N -0.31 0.00 -1.66 1.57 -0.00 -1.26 -5.00 115.22 108.56 2kkp n HIS 114 Ca 0.00 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 57.72 2kkp n HIS 114 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2kkp n HIS 114 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkp n HIS 115 N -0.33 2.06 -1.94 1.57 -0.00 -1.26 -4.81 115.22 110.51 2kkp n HIS 115 Ca 0.00 0.44 -0.35 0.00 0.46 0.00 0.00 57.72 58.27 2kkp n HIS 115 Cb 0.00 -2.45 -0.05 0.00 -0.12 0.00 0.00 29.99 27.38 2kkp n HIS 115 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kkp n HIS 116 N 2.08 2.94 -0.00 1.57 8.25 -1.26 -5.15 115.22 123.65 2kkp n HIS 116 Ca 0.13 -1.87 0.00 0.00 -0.26 0.00 0.00 57.72 55.72 2kkp n HIS 116 Cb 0.30 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 28.99 2kkp n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56