#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 4.01 -3.40 2.02 0.13 -1.26 -4.80 119.36 116.07 2kkp n ILE 2 Ca 0.00 -4.17 -0.24 0.00 -1.10 0.00 0.00 62.75 57.24 2kkp n ILE 2 Cb 0.00 -2.42 -0.10 0.00 -0.84 0.00 0.00 39.64 36.28 2kkp n ILE 2 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2kkp s GLU 3 N 2.87 0.65 0.10 9.51 2.12 -1.26 -5.02 118.70 127.67 2kkp s GLU 3 Ca 0.48 -1.31 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 2kkp s GLU 3 Cb 0.04 -1.09 -0.15 0.00 0.26 0.00 0.00 34.13 33.18 2kkp s GLU 3 CO 0.02 -1.24 1.31 -1.35 -0.54 0.00 0.00 175.26 173.46 2kkp h PRO 4 N 6.73 0.79 -5.88 4.30 0.11 -2.11 -3.44 132.00 132.50 2kkp h PRO 4 Ca 0.09 -0.64 -0.57 0.00 0.11 0.00 0.00 66.00 64.99 2kkp h PRO 4 Cb 0.99 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 2kkp h PRO 4 CO 0.25 1.25 0.08 0.45 -0.21 0.00 0.00 178.00 179.81 2kkp s SER 5 N -7.08 6.86 0.00 -2.05 0.15 -1.26 -5.02 113.70 105.30 2kkp s SER 5 Ca -0.10 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2kkp s SER 5 Cb 0.09 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2kkp s SER 5 CO 0.90 -0.15 0.00 0.29 1.20 0.00 0.00 173.24 175.48 2kkp n LYS 6 N 4.17 1.16 -3.85 5.44 4.76 -1.26 -4.99 118.16 123.59 2kkp n LYS 6 Ca -0.02 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.05 2kkp n LYS 6 Cb 0.51 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.73 2kkp n LYS 6 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kkp n ILE 7 N 0.00 -4.36 -2.42 -0.18 -5.35 -1.26 -4.77 119.36 101.01 2kkp n ILE 7 Ca 0.00 -0.70 -0.24 0.00 -0.27 0.00 0.00 62.75 61.53 2kkp n ILE 7 Cb 0.00 -3.38 0.05 0.00 -1.74 0.00 0.00 39.64 34.57 2kkp n ILE 7 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2kkp s THR 8 N -3.44 2.83 0.24 7.28 -4.23 -1.26 -2.18 115.64 114.89 2kkp s THR 8 Ca 0.43 -0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 2kkp s THR 8 Cb -0.20 -3.14 0.22 0.00 1.34 0.00 0.00 72.50 70.72 2kkp s THR 8 CO 0.91 -0.13 1.84 0.58 -0.54 0.00 0.00 174.62 177.27 2kkp h VAL 9 N -0.25 0.99 -0.34 2.29 2.07 0.05 0.08 116.25 121.15 2kkp h VAL 9 Ca -0.44 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 2kkp h VAL 9 Cb 1.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2kkp h VAL 9 CO 0.58 0.17 -0.18 1.05 0.02 0.00 0.00 177.57 179.20 2kkp h GLU 10 N 0.91 0.72 -0.48 1.57 4.11 -1.03 0.41 114.58 120.78 2kkp h GLU 10 Ca 0.39 -0.32 -0.12 0.00 0.07 0.00 0.00 59.36 59.37 2kkp h GLU 10 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2kkp h GLU 10 CO -0.20 0.93 -0.19 1.96 0.07 0.00 0.00 179.01 181.58 2kkp h GLN 11 N 0.49 0.97 -0.24 1.06 4.20 -1.69 -2.76 115.11 117.14 2kkp h GLN 11 Ca 0.07 -0.39 -0.19 0.00 0.06 0.00 0.00 58.65 58.20 2kkp h GLN 11 Cb 0.73 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2kkp h GLN 11 CO 0.05 1.06 -0.59 2.35 -0.67 0.00 0.00 178.83 181.03 2kkp h TRP 12 N 0.84 0.99 -0.29 2.96 7.01 -0.93 -3.03 115.95 123.50 2kkp h TRP 12 Ca 0.12 -0.37 0.02 0.00 2.11 0.00 0.00 58.89 60.77 2kkp h TRP 12 Cb 0.75 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 2kkp h TRP 12 CO 0.05 1.18 0.13 1.25 -2.79 0.00 0.00 178.44 178.25 2kkp h LEU 13 N 0.58 0.17 -0.68 0.65 7.12 -0.77 0.11 115.31 122.49 2kkp h LEU 13 Ca 0.00 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.04 2kkp h LEU 13 Cb 1.19 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.28 2kkp h LEU 13 CO 0.12 0.13 0.45 -1.13 -0.13 0.00 0.00 178.44 177.89 2kkp h ASN 14 N 0.27 0.78 0.14 1.25 -1.24 -1.53 -2.31 115.58 112.94 2kkp h ASN 14 Ca 0.12 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.03 2kkp h ASN 14 Cb 0.06 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 2kkp h ASN 14 CO -0.10 0.57 -0.30 -0.09 -1.29 0.00 0.00 177.43 176.21 2kkp h ARG 15 N 0.93 0.25 -0.71 6.67 9.65 -1.26 -0.11 114.38 129.80 2kkp h ARG 15 Ca 0.25 -0.09 0.02 0.00 -1.10 0.00 0.00 59.98 59.06 2kkp h ARG 15 Cb -0.11 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 2kkp h ARG 15 CO -0.05 0.54 0.46 2.35 2.80 0.00 0.00 179.97 186.06 2kkp h TRP 16 N 0.23 0.86 0.04 2.20 7.01 -0.26 0.27 115.95 126.29 2kkp h TRP 16 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 2kkp h TRP 16 Cb 0.65 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2kkp h TRP 16 CO 0.01 0.51 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.09 2kkp h LEU 17 N 0.91 -0.04 -0.44 0.65 4.07 -1.01 -2.17 115.31 117.28 2kkp h LEU 17 Ca 0.28 -0.30 0.08 0.00 0.08 0.00 0.00 57.88 58.01 2kkp h LEU 17 Cb -0.03 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 2kkp h LEU 17 CO -0.09 0.28 0.05 0.74 -1.08 0.00 0.00 178.44 178.34 2kkp h THR 18 N -0.37 0.72 0.05 0.22 2.02 -0.70 -1.32 112.91 113.54 2kkp h THR 18 Ca -0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2kkp h THR 18 Cb 0.34 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2kkp h THR 18 CO 0.01 0.03 -0.02 -0.78 0.37 0.00 0.00 175.52 175.13 2kkp h ASP 19 N 0.17 -0.05 0.28 4.18 3.58 -1.00 -2.53 116.42 121.05 2kkp h ASP 19 Ca 0.22 -0.60 -0.16 0.00 0.42 0.00 0.00 57.03 56.91 2kkp h ASP 19 Cb 0.29 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2kkp h ASP 19 CO -0.31 0.68 -0.64 1.88 -2.88 0.00 0.00 179.24 177.97 2kkp h TYR 20 N -0.91 0.44 0.08 0.28 -1.99 -1.41 -3.27 116.97 110.20 2kkp h TYR 20 Ca -0.01 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 2kkp h TYR 20 Cb 0.65 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.30 2kkp h TYR 20 CO 0.16 0.88 -0.04 0.00 -0.00 0.00 0.00 178.16 179.16 2kkp h ALA 21 N 1.08 -0.11 -5.71 3.88 0.00 -1.39 -3.50 119.26 113.51 2kkp h ALA 21 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2kkp h ALA 21 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kkp h ALA 21 CO 0.10 -0.15 -0.86 1.17 0.00 0.00 0.00 179.25 179.52 2kkp n LYS 22 N -4.81 -2.25 -1.91 0.00 0.00 -0.95 -4.80 118.16 103.44 2kkp n LYS 22 Ca -0.06 1.93 -0.39 0.00 0.00 0.00 0.00 58.31 59.79 2kkp n LYS 22 Cb 0.25 -4.09 -0.03 0.00 0.00 0.00 0.00 35.03 31.16 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2kkp s PRO 23 N -2.12 2.69 -0.22 1.64 0.02 -1.26 -4.77 135.00 130.98 2kkp s PRO 23 Ca 0.19 1.01 0.03 0.00 0.02 0.00 0.00 61.00 62.25 2kkp s PRO 23 Cb -0.04 -4.39 -0.20 0.00 0.02 0.00 0.00 34.50 29.89 2kkp s PRO 23 CO 0.69 -2.64 -0.04 1.58 -0.33 0.00 0.00 177.00 176.27 2kkp n HIS 24 N 12.86 0.29 0.00 6.54 -0.00 -1.26 -4.92 115.22 128.73 2kkp n HIS 24 Ca 0.25 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.50 2kkp n HIS 24 Cb 0.51 -1.04 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 2kkp n HIS 24 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kkp n LEU 25 N -3.23 0.00 -4.58 0.27 0.00 -1.26 -5.07 117.00 103.13 2kkp n LEU 25 Ca -0.40 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.20 2kkp n LEU 25 Cb 1.03 0.13 -0.03 0.00 0.00 0.00 0.00 43.42 44.54 2kkp n LEU 25 CO 0.32 -0.30 1.73 -0.13 0.00 0.00 0.00 177.39 179.02 2kkp s ARG 26 N -1.59 2.94 0.02 1.96 0.52 -1.26 -4.85 118.95 116.69 2kkp s ARG 26 Ca 0.00 1.48 -0.21 0.00 -0.52 0.00 0.00 55.73 56.48 2kkp s ARG 26 Cb 0.00 -4.35 -0.16 0.00 0.52 0.00 0.00 34.95 30.96 2kkp s ARG 26 CO 0.00 -2.32 1.30 1.96 0.02 0.00 0.00 175.30 176.25 2kkp h GLN 27 N 15.07 0.30 -6.05 3.54 7.50 -1.99 -3.39 115.11 130.09 2kkp h GLN 27 Ca -0.33 -0.18 -0.60 0.00 0.50 0.00 0.00 58.65 58.05 2kkp h GLN 27 Cb 1.21 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 28.65 2kkp h GLN 27 CO 1.06 0.74 1.38 0.45 -1.50 0.00 0.00 178.83 180.96 2kkp s SER 28 N -6.12 6.46 -0.38 1.46 0.15 -1.26 -4.92 113.70 109.10 2kkp s SER 28 Ca -0.14 -1.36 0.04 0.00 0.70 0.00 0.00 55.95 55.18 2kkp s SER 28 Cb 0.04 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.91 2kkp s SER 28 CO 0.75 -1.52 0.11 -0.89 1.20 0.00 0.00 173.24 172.89 2kkp s THR 29 N 4.88 2.21 -0.28 6.45 2.01 -1.26 -5.05 115.64 124.59 2kkp s THR 29 Ca 0.43 -2.50 -0.24 0.00 0.31 0.00 0.00 61.69 59.69 2kkp s THR 29 Cb -0.02 -2.61 0.11 0.00 0.01 0.00 0.00 72.50 70.00 2kkp s THR 29 CO -0.07 -0.66 0.94 -1.66 -0.69 0.00 0.00 174.62 172.48 2kkp s TRP 30 N 0.67 -0.58 0.00 4.92 1.48 -1.26 -5.17 118.94 118.99 2kkp s TRP 30 Ca 0.12 1.38 0.00 0.00 -1.06 0.00 0.00 56.10 56.54 2kkp s TRP 30 Cb -0.21 0.35 0.00 0.00 -1.16 0.00 0.00 33.47 32.46 2kkp s TRP 30 CO -0.07 -0.28 0.00 -1.91 -4.06 0.00 0.00 176.95 170.63 2kkp n GLU 31 N 2.55 0.41 0.01 3.25 2.13 -1.26 -5.08 120.64 122.65 2kkp n GLU 31 Ca -0.14 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.50 2kkp n GLU 31 Cb 0.56 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.13 2kkp n GLU 31 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2kkp h SER 32 N 0.00 0.32 0.16 4.31 0.02 -2.02 -3.34 113.55 112.99 2kkp h SER 32 Ca 0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 2kkp h SER 32 Cb 0.00 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2kkp h SER 32 CO 0.00 1.29 -0.40 1.88 -1.14 0.00 0.00 176.83 178.46 2kkp h TYR 33 N -0.57 -1.15 -0.35 3.45 -1.99 -1.99 -1.52 116.97 112.85 2kkp h TYR 33 Ca -0.11 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 2kkp h TYR 33 Cb 1.46 0.48 -0.02 0.00 2.00 0.00 0.00 36.73 40.65 2kkp h TYR 33 CO 0.22 -0.47 0.21 0.93 -0.00 0.00 0.00 178.16 179.05 2kkp h GLU 34 N -0.62 0.47 0.17 4.88 3.07 -1.99 -1.55 114.58 119.00 2kkp h GLU 34 Ca -0.01 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2kkp h GLU 34 Cb 0.60 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 2kkp h GLU 34 CO -0.18 0.35 -0.23 1.15 -1.40 0.00 0.00 179.01 178.70 2kkp h THR 35 N 0.45 0.49 -0.48 1.13 2.02 -1.62 0.17 112.91 115.07 2kkp h THR 35 Ca 0.12 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 2kkp h THR 35 Cb -0.00 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2kkp h THR 35 CO -0.02 0.00 -0.21 -0.37 0.37 0.00 0.00 175.52 175.29 2kkp h VAL 36 N -0.46 1.27 0.45 3.16 -1.51 -1.23 -2.41 116.25 115.52 2kkp h VAL 36 Ca 0.01 -1.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.09 2kkp h VAL 36 Cb 0.46 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2kkp h VAL 36 CO -0.10 0.47 -0.22 0.25 -1.23 0.00 0.00 177.57 176.75 2kkp h LEU 37 N 0.84 -0.51 -1.19 4.19 5.85 -1.01 -2.69 115.31 120.79 2kkp h LEU 37 Ca 0.11 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kkp h LEU 37 Cb 0.78 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2kkp h LEU 37 CO 0.06 -0.18 0.47 0.08 -0.34 0.00 0.00 178.44 178.54 2kkp h ARG 38 N -0.88 1.02 -0.59 1.25 0.11 -0.72 -1.75 114.38 112.82 2kkp h ARG 38 Ca -0.06 -0.08 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 2kkp h ARG 38 Cb 0.57 -0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.41 2kkp h ARG 38 CO 0.10 0.71 0.27 1.25 0.10 0.00 0.00 179.97 182.40 2kkp h LEU 39 N 1.04 0.78 0.03 0.08 5.85 -1.38 -2.93 115.31 118.78 2kkp h LEU 39 Ca 0.27 -0.14 -0.31 0.00 0.84 0.00 0.00 57.88 58.55 2kkp h LEU 39 Cb -0.06 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2kkp h LEU 39 CO -0.05 0.70 -1.69 1.41 -0.34 0.00 0.00 178.44 178.47 2kkp n HIS 40 N -4.52 0.91 -0.03 1.25 8.25 -1.02 -4.59 115.22 115.46 2kkp n HIS 40 Ca 0.03 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.69 2kkp n HIS 40 Cb 0.13 -1.10 -0.14 0.00 1.12 0.00 0.00 29.99 30.00 2kkp n HIS 40 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2kkp n VAL 41 N -4.10 1.61 -0.03 1.59 3.14 -0.69 -4.47 118.33 115.39 2kkp n VAL 41 Ca -0.36 -0.77 -0.11 0.00 -2.96 0.00 0.00 64.34 60.14 2kkp n VAL 41 Cb 0.82 -1.12 -0.05 0.00 -1.06 0.00 0.00 33.84 32.43 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2kkp h ILE 42 N 0.01 1.14 -0.91 1.55 5.03 -1.63 0.15 117.51 122.86 2kkp h ILE 42 Ca -0.36 -0.42 0.13 0.00 -0.12 0.00 0.00 64.86 64.09 2kkp h ILE 42 Cb 2.05 1.18 -0.07 0.00 -3.03 0.00 0.00 36.82 36.94 2kkp h ILE 42 CO 0.07 0.13 0.58 -0.65 -0.68 0.00 0.00 178.15 177.60 2kkp h PRO 43 N 0.07 0.75 0.00 2.37 0.11 -1.78 -0.57 132.00 132.95 2kkp h PRO 43 Ca 0.04 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.85 2kkp h PRO 43 Cb 0.15 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2kkp h PRO 43 CO -0.00 0.50 -1.81 -2.37 -0.21 0.00 0.00 178.00 174.10 2kkp n THR 44 N -4.57 1.01 1.02 -1.15 5.66 -1.19 -4.69 114.28 110.37 2kkp n THR 44 Ca 0.17 -0.19 0.11 0.00 -3.05 0.00 0.00 64.05 61.10 2kkp n THR 44 Cb 0.42 -1.78 0.08 0.00 -1.55 0.00 0.00 70.33 67.51 2kkp n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kkp n LEU 45 N -3.82 0.87 0.19 1.09 4.32 0.38 -4.24 117.00 115.78 2kkp n LEU 45 Ca -0.31 -0.29 0.04 0.00 -0.02 0.00 0.00 56.01 55.43 2kkp n LEU 45 Cb 0.69 -0.11 0.47 0.00 -1.62 0.00 0.00 43.42 42.85 2kkp n LEU 45 CO 0.03 0.20 0.91 1.23 -1.22 0.00 0.00 177.39 178.54 2kkp h GLY 46 N 4.98 0.09 0.35 -0.72 0.00 0.28 -1.62 103.07 106.44 2kkp h GLY 46 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2kkp h GLY 46 CO 0.00 0.05 0.00 1.44 0.00 0.00 0.00 176.54 178.03 2kkp n SER 47 N -4.32 0.14 -4.70 0.19 7.64 -1.25 -0.42 113.62 110.90 2kkp n SER 47 Ca -0.02 -1.55 -0.35 0.00 1.01 0.00 0.00 58.87 57.96 2kkp n SER 47 Cb 0.24 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.98 5.04 0.47 0.44 1.01 -0.61 -4.89 121.20 120.68 2kkp s ILE 48 Ca 0.23 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 2kkp s ILE 48 Cb 0.11 -3.27 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 2kkp s ILE 48 CO 0.18 0.48 1.26 -0.81 0.00 0.00 0.00 174.94 176.05 2kkp n PRO 49 N 3.27 1.78 -0.34 2.79 -0.04 -1.26 -1.45 135.00 139.75 2kkp n PRO 49 Ca -0.17 0.64 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 2kkp n PRO 49 Cb 0.53 -2.41 0.30 0.00 -0.04 0.00 0.00 33.50 31.87 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkp h LEU 50 N 1.78 0.83 -0.06 1.53 3.38 -1.73 0.14 115.31 121.17 2kkp h LEU 50 Ca -0.49 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kkp h LEU 50 Cb 1.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2kkp h LEU 50 CO 0.58 0.40 -0.01 0.29 0.09 0.00 0.00 178.44 179.79 2kkp n LYS 51 N -4.64 0.87 0.00 1.13 5.02 -1.26 -2.35 118.16 116.93 2kkp n LYS 51 Ca 0.20 -0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.50 2kkp n LYS 51 Cb 0.44 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.01 1.60 -2.18 1.97 4.81 0.02 -4.98 118.16 118.39 2kkp n LYS 52 Ca 0.21 -0.96 -0.42 0.00 -0.87 0.00 0.00 58.31 56.26 2kkp n LYS 52 Cb 0.16 -1.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 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 -1.82 4.37 0.04 3.14 1.98 -0.99 -4.97 118.68 120.43 2kkp s LEU 53 Ca 0.14 2.31 0.08 0.00 -2.89 0.00 0.00 54.13 53.78 2kkp s LEU 53 Cb 0.13 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.36 2kkp s LEU 53 CO 0.34 -0.65 -0.23 -1.10 -1.89 0.00 0.00 176.35 172.82 2kkp s GLN 54 N 1.11 1.92 0.55 1.98 -0.21 -1.26 -5.01 119.66 118.73 2kkp s GLN 54 Ca 0.64 -1.05 0.30 0.00 0.02 0.00 0.00 55.36 55.27 2kkp s GLN 54 Cb -0.36 -2.06 1.61 0.00 1.00 0.00 0.00 33.01 33.19 2kkp s GLN 54 CO 0.30 0.53 2.13 -1.00 -2.12 0.00 0.00 175.29 175.13 2kkp h PRO 55 N 4.73 0.00 -0.71 2.91 0.13 -1.96 -2.71 132.00 134.39 2kkp h PRO 55 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2kkp h PRO 55 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2kkp h PRO 55 CO 0.45 0.08 0.42 0.00 -0.23 0.00 0.00 178.00 178.72 2kkp h ALA 56 N 1.92 0.90 -0.00 -0.56 0.00 -1.95 -0.03 119.26 119.55 2kkp h ALA 56 Ca -0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2kkp h ALA 56 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kkp h ALA 56 CO 0.01 0.38 -0.65 -0.44 0.00 0.00 0.00 179.25 178.54 2kkp h ASP 57 N 0.96 0.01 -0.26 0.00 5.19 -1.91 -1.45 116.42 118.97 2kkp h ASP 57 Ca 0.25 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 2kkp h ASP 57 Cb -0.02 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2kkp h ASP 57 CO -0.05 0.66 0.10 0.40 -3.12 0.00 0.00 179.24 177.24 2kkp h ILE 58 N 0.01 1.17 -0.46 0.35 2.04 -1.32 0.13 117.51 119.43 2kkp h ILE 58 Ca -0.01 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 2kkp h ILE 58 Cb 1.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2kkp h ILE 58 CO 0.09 0.17 0.01 -0.61 0.00 0.00 0.00 178.15 177.81 2kkp h GLN 59 N 0.26 0.74 -0.36 2.37 4.15 -0.90 -1.95 115.11 119.42 2kkp h GLN 59 Ca 0.09 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 2kkp h GLN 59 Cb 0.17 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2kkp h GLN 59 CO -0.01 0.74 -0.15 -0.09 -1.93 0.00 0.00 178.83 177.40 2kkp h ARG 60 N 0.70 0.64 -0.36 1.69 2.43 -0.98 -1.37 114.38 117.13 2kkp h ARG 60 Ca 0.14 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2kkp h ARG 60 Cb 0.41 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2kkp h ARG 60 CO 0.02 0.77 0.20 1.25 -1.51 0.00 0.00 179.97 180.70 2kkp h LEU 61 N 0.58 0.33 -0.11 3.80 7.12 -0.08 0.15 115.31 127.10 2kkp h LEU 61 Ca 0.10 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2kkp h LEU 61 Cb 0.59 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2kkp h LEU 61 CO 0.04 0.24 0.07 1.88 -0.13 0.00 0.00 178.44 180.53 2kkp h TYR 62 N 0.42 0.14 -0.32 1.25 0.05 -1.03 -0.46 116.97 117.01 2kkp h TYR 62 Ca 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2kkp h TYR 62 Cb 0.02 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 2kkp h TYR 62 CO -0.08 0.10 0.19 0.00 -1.05 0.00 0.00 178.16 177.32 2kkp h ALA 63 N 1.02 0.41 -0.59 3.88 0.00 -0.97 0.18 119.26 123.20 2kkp h ALA 63 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2kkp h ALA 63 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kkp h ALA 63 CO -0.01 -0.08 0.01 1.03 0.00 0.00 0.00 179.25 180.21 2kkp h SER 64 N 0.41 0.98 1.84 0.00 0.87 -0.60 -2.51 113.55 114.55 2kkp h SER 64 Ca 0.12 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2kkp h SER 64 Cb 0.03 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2kkp h SER 64 CO -0.02 1.03 -0.12 0.11 -0.53 0.00 0.00 176.83 177.30 2kkp h LYS 65 N 0.93 0.00 -0.39 2.24 6.56 -0.86 -2.91 116.57 122.15 2kkp h LYS 65 Ca 0.17 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.66 2kkp h LYS 65 Cb 0.52 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 2kkp h LYS 65 CO 0.03 0.12 -0.17 1.25 -2.06 0.00 0.00 179.45 178.62 2kkp h LEU 66 N 0.00 0.73 -1.91 2.94 5.85 -0.27 -1.84 115.31 120.80 2kkp h LEU 66 Ca -0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2kkp h LEU 66 Cb 1.07 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2kkp h LEU 66 CO 0.02 0.90 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.60 2kkp h GLU 67 N 0.65 0.00 0.00 1.25 4.39 -1.26 -1.69 114.58 117.92 2kkp h GLU 67 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kkp h GLU 67 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kkp h GLU 67 CO 0.05 0.09 -0.04 0.77 -1.16 0.00 0.00 179.01 178.71 2kkp h SER 68 N 0.00 0.00 0.00 1.42 0.02 -1.23 -3.47 113.55 110.29 2kkp h SER 68 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkp h SER 68 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2kkp h SER 68 CO 0.01 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 2kkp n GLY 69 N 0.32 0.66 3.87 -3.77 0.00 -0.63 -5.12 105.19 100.52 2kkp n GLY 69 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 4.40 0.42 0.99 1.43 -1.24 -5.06 118.68 119.61 2kkp s LEU 70 Ca 0.00 0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2kkp s LEU 70 Cb 0.00 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 2kkp s LEU 70 CO 0.00 0.40 1.10 -0.44 0.23 0.00 0.00 176.35 177.64 2kkp s SER 71 N -1.02 6.56 0.27 2.29 0.01 -1.26 -4.84 113.70 115.71 2kkp s SER 71 Ca 0.16 2.16 0.01 0.00 1.31 0.00 0.00 55.95 59.59 2kkp s SER 71 Cb -0.13 -2.60 0.61 0.00 0.21 0.00 0.00 66.02 64.12 2kkp s SER 71 CO 0.05 -0.64 1.71 -0.65 0.41 0.00 0.00 173.24 174.12 2kkp h PRO 72 N 2.40 0.43 -0.13 12.44 0.11 -1.98 0.16 132.00 145.42 2kkp h PRO 72 Ca -0.49 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2kkp h PRO 72 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2kkp h PRO 72 CO 0.62 0.28 -0.29 1.79 -0.21 0.00 0.00 178.00 180.19 2kkp h THR 73 N 0.44 1.26 -0.12 -1.15 1.35 -1.98 0.11 112.91 112.81 2kkp h THR 73 Ca 0.50 -1.22 -0.21 0.00 -0.55 0.00 0.00 66.41 64.93 2kkp h THR 73 Cb 0.86 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.78 2kkp h THR 73 CO -0.47 0.37 -0.72 -0.09 -0.25 0.00 0.00 175.52 174.35 2kkp h ARG 74 N 0.22 0.71 -0.38 4.72 9.65 -1.17 -2.15 114.38 125.98 2kkp h ARG 74 Ca 0.03 -0.60 -0.08 0.00 -1.10 0.00 0.00 59.98 58.23 2kkp h ARG 74 Cb 0.63 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 2kkp h ARG 74 CO 0.05 1.21 -0.11 0.28 2.80 0.00 0.00 179.97 184.19 2kkp h VAL 75 N 0.40 1.25 -0.44 0.20 2.07 -0.77 -2.51 116.25 116.45 2kkp h VAL 75 Ca -0.06 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.41 2kkp h VAL 75 Cb 1.36 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2kkp h VAL 75 CO 0.15 0.37 0.19 -0.09 0.02 0.00 0.00 177.57 178.21 2kkp h ARG 76 N 0.60 0.38 -0.73 1.57 2.43 -0.65 -0.99 114.38 116.99 2kkp h ARG 76 Ca 0.11 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2kkp h ARG 76 Cb 0.55 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2kkp h ARG 76 CO 0.03 0.25 0.46 -0.92 -1.51 0.00 0.00 179.97 178.28 2kkp h TYR 77 N 0.39 0.95 -0.88 2.20 3.20 -1.09 0.23 116.97 121.97 2kkp h TYR 77 Ca 0.20 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2kkp h TYR 77 Cb 0.15 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 2kkp h TYR 77 CO -0.12 0.63 0.55 0.82 -1.64 0.00 0.00 178.16 178.40 2kkp h ILE 78 N 1.00 1.06 -0.60 1.81 2.04 -0.98 0.41 117.51 122.24 2kkp h ILE 78 Ca 0.26 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2kkp h ILE 78 Cb -0.06 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 35.95 2kkp h ILE 78 CO -0.05 0.18 0.04 -0.74 0.00 0.00 0.00 178.15 177.58 2kkp h HIS 79 N 1.01 1.09 0.18 1.37 2.76 -0.28 -1.55 115.15 119.74 2kkp h HIS 79 Ca 0.38 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2kkp h HIS 79 Cb 0.15 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2kkp h HIS 79 CO -0.03 0.95 -0.09 0.28 -1.30 0.00 0.00 177.93 177.75 2kkp h VAL 80 N 0.94 0.91 -0.65 5.26 2.07 0.09 -2.14 116.25 122.72 2kkp h VAL 80 Ca 0.18 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2kkp h VAL 80 Cb 0.49 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2kkp h VAL 80 CO 0.02 0.19 0.30 1.62 0.02 0.00 0.00 177.57 179.72 2kkp h VAL 81 N -0.71 1.22 -0.61 2.57 3.04 -0.24 0.44 116.25 121.95 2kkp h VAL 81 Ca -0.03 -0.62 -0.09 0.00 -1.01 0.00 0.00 66.70 64.95 2kkp h VAL 81 Cb 0.50 0.39 -0.02 0.00 -2.01 0.00 0.00 31.29 30.15 2kkp h VAL 81 CO 0.04 0.26 0.04 0.25 -1.01 0.00 0.00 177.57 177.15 2kkp h LEU 82 N 0.93 1.03 -0.27 3.16 5.85 -1.33 0.84 115.31 125.51 2kkp h LEU 82 Ca 0.23 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2kkp h LEU 82 Cb 0.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2kkp h LEU 82 CO -0.03 1.07 -0.19 -0.74 -0.34 0.00 0.00 178.44 178.21 2kkp h HIS 83 N 0.96 0.72 -0.42 1.25 2.76 -0.63 -1.41 115.15 118.39 2kkp h HIS 83 Ca 0.18 -0.20 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 2kkp h HIS 83 Cb 0.52 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2kkp h HIS 83 CO 0.04 0.89 -0.13 1.49 -1.30 0.00 0.00 177.93 178.91 2kkp h GLU 84 N 0.34 0.82 0.08 5.26 4.81 0.02 -1.95 114.58 123.97 2kkp h GLU 84 Ca 0.05 -0.33 -0.21 0.00 -0.13 0.00 0.00 59.36 58.75 2kkp h GLU 84 Cb 0.73 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.09 2kkp h GLU 84 CO 0.05 0.96 -0.86 0.00 -0.73 0.00 0.00 179.01 178.43 2kkp h ALA 85 N 0.84 -0.00 -0.06 2.92 0.00 -0.89 -3.29 119.26 118.77 2kkp h ALA 85 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kkp h ALA 85 Cb 0.67 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kkp h ALA 85 CO 0.05 0.46 0.00 -1.33 0.00 0.00 0.00 179.25 178.42 2kkp n MET 86 N -4.06 1.23 -0.01 0.00 2.81 -0.53 -3.12 117.12 113.44 2kkp n MET 86 Ca -0.12 -0.35 -0.03 0.00 -1.81 0.00 0.00 57.70 55.38 2kkp n MET 86 Cb 0.81 -1.28 0.21 0.00 -0.71 0.00 0.00 33.22 32.26 2kkp n MET 86 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kkp h SER 87 N 0.68 0.54 -0.73 7.83 4.64 -1.42 -2.74 113.55 122.36 2kkp h SER 87 Ca 0.00 -0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2kkp h SER 87 Cb 0.15 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 2kkp h SER 87 CO 0.00 0.72 0.48 -0.61 -0.87 0.00 0.00 176.83 176.55 2kkp h GLN 88 N 0.49 0.69 -0.15 4.77 4.15 -1.77 0.25 115.11 123.54 2kkp h GLN 88 Ca 0.08 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2kkp h GLN 88 Cb 0.57 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2kkp h GLN 88 CO 0.04 0.46 0.08 0.00 -1.93 0.00 0.00 178.83 177.48 2kkp h ALA 89 N 1.62 0.20 -0.27 3.38 0.00 -1.71 0.22 119.26 122.70 2kkp h ALA 89 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2kkp h ALA 89 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kkp h ALA 89 CO -0.11 -0.26 -0.09 -0.09 0.00 0.00 0.00 179.25 178.70 2kkp h ARG 90 N 0.14 0.53 -0.02 0.00 9.65 -1.37 -0.90 114.38 122.40 2kkp h ARG 90 Ca 0.05 -0.21 -0.07 0.00 -1.10 0.00 0.00 59.98 58.65 2kkp h ARG 90 Cb 0.09 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2kkp h ARG 90 CO -0.01 0.76 -0.31 0.93 2.80 0.00 0.00 179.97 184.14 2kkp h GLU 91 N 0.27 0.04 -0.00 0.20 5.08 -0.37 -0.24 114.58 119.55 2kkp h GLU 91 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2kkp h GLU 91 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2kkp h GLU 91 CO 0.03 0.35 -0.09 0.45 -1.00 0.00 0.00 179.01 178.75 2kkp n SER 92 N -4.16 0.48 0.00 1.42 2.88 0.76 -4.91 113.62 110.10 2kkp n SER 92 Ca -0.02 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 2kkp n SER 92 Cb 0.36 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 1.25 0.47 0.09 0.46 0.00 -0.10 -4.87 105.19 102.49 2kkp n GLY 93 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2kkp n GLY 93 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kkp h LEU 94 N 0.00 0.00 -8.88 0.99 8.10 -1.42 -3.43 115.31 110.67 2kkp h LEU 94 Ca 0.00 -0.12 -0.69 0.00 0.11 0.00 0.00 57.88 57.18 2kkp h LEU 94 Cb 0.07 0.00 -0.23 0.00 -0.44 0.00 0.00 40.66 40.05 2kkp h LEU 94 CO 0.00 0.06 -0.76 -0.76 -4.11 0.00 0.00 178.44 172.87 2kkp s LEU 95 N -4.56 2.77 0.09 0.17 2.01 -0.62 -4.63 118.68 113.90 2kkp s LEU 95 Ca 0.07 -0.20 -0.29 0.00 0.01 0.00 0.00 54.13 53.72 2kkp s LEU 95 Cb 0.12 -1.57 -0.15 0.00 0.01 0.00 0.00 46.19 44.60 2kkp s LEU 95 CO 0.69 0.32 1.66 0.25 1.01 0.00 0.00 176.35 180.28 2kkp h LEU 96 N 5.55 -0.59 0.00 1.79 5.85 -1.90 -3.41 115.31 122.60 2kkp h LEU 96 Ca -0.43 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 2kkp h LEU 96 Cb 1.16 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2kkp h LEU 96 CO 0.51 -0.36 -0.05 0.00 -0.34 0.00 0.00 178.44 178.20 2kkp n GLN 97 N -5.36 0.15 -3.44 1.25 6.02 -1.26 -5.05 117.38 109.68 2kkp n GLN 97 Ca -0.10 -0.35 -0.43 0.00 -0.01 0.00 0.00 57.00 56.11 2kkp n GLN 97 Cb 0.27 0.27 -0.06 0.00 1.02 0.00 0.00 30.24 31.74 2kkp n GLN 97 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kkp s ASN 98 N -1.24 6.10 0.38 1.08 4.22 -1.26 -4.76 114.94 119.46 2kkp s ASN 98 Ca 0.04 -2.27 0.21 0.00 -2.14 0.00 0.00 52.86 48.70 2kkp s ASN 98 Cb 0.00 -2.10 0.43 0.00 1.28 0.00 0.00 41.25 40.86 2kkp s ASN 98 CO 0.03 -0.65 1.62 -0.65 -2.04 0.00 0.00 177.10 175.41 2kkp h PRO 99 N 8.14 0.00 0.00 3.55 0.11 -1.96 -3.16 132.00 138.68 2kkp h PRO 99 Ca -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2kkp h PRO 99 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2kkp h PRO 99 CO 0.85 0.27 -0.06 1.79 -0.21 0.00 0.00 178.00 180.64 2kkp h THR 100 N 0.00 0.15 0.00 -1.15 1.35 -1.93 -1.87 112.91 109.46 2kkp h THR 100 Ca -0.00 -0.74 -0.19 0.00 -0.55 0.00 0.00 66.41 64.92 2kkp h THR 100 Cb 1.07 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 2kkp h THR 100 CO 0.03 0.06 -1.59 1.21 -0.25 0.00 0.00 175.52 174.98 2kkp n GLU 101 N -3.17 0.63 0.19 4.72 2.13 -1.20 -4.03 120.64 119.92 2kkp n GLU 101 Ca 0.01 0.18 0.08 0.00 0.66 0.00 0.00 57.16 58.08 2kkp n GLU 101 Cb 0.37 -1.76 0.29 0.00 0.27 0.00 0.00 31.44 30.61 2kkp n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kkp h ALA 102 N 1.37 0.91 -2.18 4.31 0.00 -1.40 -3.42 119.26 118.84 2kkp h ALA 102 Ca -0.21 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 2kkp h ALA 102 Cb 1.66 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.30 2kkp h ALA 102 CO 0.04 0.37 0.42 0.00 0.00 0.00 0.00 179.25 180.08 2kkp s ALA 103 N -3.39 3.46 0.04 0.00 0.00 -0.75 -5.01 121.76 116.11 2kkp s ALA 103 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2kkp s ALA 103 Cb 0.09 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2kkp s ALA 103 CO 0.68 -1.40 -0.06 0.15 0.00 0.00 0.00 175.76 175.13 2kkp s LYS 104 N 3.10 2.48 0.36 0.00 1.02 -1.26 -4.95 119.74 120.49 2kkp s LYS 104 Ca 0.33 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 55.24 2kkp s LYS 104 Cb -0.13 -2.48 -0.12 0.00 -0.52 0.00 0.00 37.83 34.58 2kkp s LYS 104 CO 0.16 0.57 1.41 -2.30 -0.92 0.00 0.00 175.35 174.26 2kkp n PRO 105 N 1.19 2.43 0.00 -1.68 -0.02 -1.26 -4.86 135.00 130.80 2kkp n PRO 105 Ca -0.14 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2kkp n PRO 105 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2kkp n PRO 105 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kkp n PRO 106 N 0.59 0.70 0.23 0.52 -0.02 -1.26 -3.81 135.00 131.94 2kkp n PRO 106 Ca 0.03 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.58 2kkp n PRO 106 Cb 0.37 -1.34 0.53 0.00 -0.02 0.00 0.00 33.50 33.04 2kkp n PRO 106 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2kkp h ARG 107 N 0.31 0.00 -5.10 -0.52 2.43 -2.03 -3.48 114.38 105.99 2kkp h ARG 107 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kkp h ARG 107 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2kkp h ARG 107 CO 0.00 0.21 -0.25 0.72 -1.51 0.00 0.00 179.97 179.15 2kkp n HIS 108 N -4.05 -2.96 -2.43 2.20 8.25 -1.25 -4.98 115.22 110.01 2kkp n HIS 108 Ca -0.02 1.16 -0.40 0.00 -0.26 0.00 0.00 57.72 58.21 2kkp n HIS 108 Cb 0.29 -3.86 -0.04 0.00 1.12 0.00 0.00 29.99 27.50 2kkp n HIS 108 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2kkp s PRO 109 N -2.71 4.48 0.05 -0.41 0.02 -1.26 -4.96 135.00 130.21 2kkp s PRO 109 Ca 0.12 1.81 0.20 0.00 0.02 0.00 0.00 61.00 63.16 2kkp s PRO 109 Cb -0.03 -3.03 -0.17 0.00 0.02 0.00 0.00 34.50 31.29 2kkp s PRO 109 CO 0.69 0.06 0.71 1.28 -0.33 0.00 0.00 177.00 179.41 2kkp n LEU 110 N 0.85 0.51 -4.14 -5.54 7.99 -1.26 -4.70 117.00 110.71 2kkp n LEU 110 Ca 0.00 0.21 -0.35 0.00 -0.01 0.00 0.00 56.01 55.86 2kkp n LEU 110 Cb 0.45 0.05 -0.13 0.00 -0.11 0.00 0.00 43.42 43.69 2kkp n LEU 110 CO 0.53 0.03 -0.28 -0.70 -1.51 0.00 0.00 177.39 175.47 2kkp s GLU 111 N -3.20 2.16 0.31 3.23 2.12 -1.26 -4.75 118.70 117.31 2kkp s GLU 111 Ca -0.04 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.73 2kkp s GLU 111 Cb 0.10 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2kkp s GLU 111 CO 0.84 -0.84 0.00 1.58 -0.54 0.00 0.00 175.26 176.30 2kkp n HIS 112 N 4.57 -3.97 0.00 5.30 -0.00 -1.26 -5.11 115.22 114.76 2kkp n HIS 112 Ca -0.07 1.07 0.00 0.00 0.46 0.00 0.00 57.72 59.18 2kkp n HIS 112 Cb 0.42 2.82 0.00 0.00 -0.12 0.00 0.00 29.99 33.12 2kkp n HIS 112 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkp n HIS 113 N -3.30 0.00 -1.31 1.57 -0.00 -1.26 -5.06 115.22 105.86 2kkp n HIS 113 Ca 0.00 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.90 2kkp n HIS 113 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 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 0.00 1.52 -3.39 1.57 -0.00 -1.26 -4.60 115.22 109.05 2kkp n HIS 114 Ca 0.00 -2.38 -0.14 0.00 0.46 0.00 0.00 57.72 55.65 2kkp n HIS 114 Cb 0.00 -1.98 -0.09 0.00 -0.12 0.00 0.00 29.99 27.80 2kkp n HIS 114 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kkp s HIS 115 N 0.90 -0.59 -0.17 1.57 3.76 -1.26 -5.00 115.29 114.50 2kkp s HIS 115 Ca 0.66 0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 55.74 2kkp s HIS 115 Cb 0.25 -0.30 -0.10 0.00 1.11 0.00 0.00 32.58 33.54 2kkp s HIS 115 CO -0.06 -0.83 -0.17 0.72 -0.85 0.00 0.00 174.74 173.55 2kkp n HIS 116 N 5.33 0.00 -0.34 1.40 8.25 -1.26 -5.23 115.22 123.37 2kkp n HIS 116 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2kkp n HIS 116 Cb 0.48 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.94 2kkp n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56