#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 4.78 -0.10 2.02 2.07 -1.26 -5.07 121.20 123.65 2kkp s ILE 2 Ca 0.00 1.29 -0.04 0.00 -1.41 0.00 0.00 60.65 60.49 2kkp s ILE 2 Cb 0.00 -3.94 0.05 0.00 0.13 0.00 0.00 42.46 38.69 2kkp s ILE 2 CO 0.00 0.48 0.21 -0.70 -1.91 0.00 0.00 174.94 173.02 2kkp s GLU 3 N -0.66 0.14 0.05 3.50 2.12 -1.26 -5.09 118.70 117.50 2kkp s GLU 3 Ca 0.31 0.54 -0.15 0.00 0.36 0.00 0.00 54.97 56.02 2kkp s GLU 3 Cb -0.19 -0.14 -0.06 0.00 0.26 0.00 0.00 34.13 33.99 2kkp s GLU 3 CO 0.19 -0.21 1.25 -1.00 -0.54 0.00 0.00 175.26 174.95 2kkp h PRO 4 N 7.60 -0.26 0.00 4.30 0.13 -1.97 -3.43 132.00 138.37 2kkp h PRO 4 Ca -0.32 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2kkp h PRO 4 Cb 1.14 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kkp h PRO 4 CO 0.31 -0.17 0.00 -1.13 -0.23 0.00 0.00 178.00 176.78 2kkp n SER 5 N -3.87 0.00 0.00 1.44 3.41 -1.26 -4.81 113.62 108.53 2kkp n SER 5 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2kkp n SER 5 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2kkp n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kkp n LYS 6 N 0.00 0.00 -3.00 4.33 5.02 -1.26 -4.19 118.16 119.06 2kkp n LYS 6 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 2kkp n LYS 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2kkp n LYS 6 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2kkp n ILE 7 N 0.00 4.73 -3.01 -0.18 3.06 -1.26 -4.88 119.36 117.82 2kkp n ILE 7 Ca 0.00 -5.28 -0.17 0.00 -2.50 0.00 0.00 62.75 54.79 2kkp n ILE 7 Cb 0.00 -2.37 0.01 0.00 0.54 0.00 0.00 39.64 37.83 2kkp n ILE 7 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2kkp s THR 8 N -0.98 2.94 0.18 9.51 2.01 -1.26 -0.77 115.64 127.27 2kkp s THR 8 Ca 0.35 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 2kkp s THR 8 Cb -0.01 -2.94 0.08 0.00 0.01 0.00 0.00 72.50 69.64 2kkp s THR 8 CO 0.01 0.00 1.79 0.58 -0.69 0.00 0.00 174.62 176.31 2kkp h VAL 9 N 0.60 0.97 -0.35 3.82 2.07 -1.88 -1.62 116.25 119.86 2kkp h VAL 9 Ca -0.39 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2kkp h VAL 9 Cb 1.28 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2kkp h VAL 9 CO 0.45 0.10 -0.01 1.05 0.02 0.00 0.00 177.57 179.18 2kkp h GLU 10 N 0.53 0.55 -0.18 1.57 -0.00 -1.93 -1.08 114.58 114.05 2kkp h GLU 10 Ca 0.23 -0.12 -0.15 0.00 -0.00 0.00 0.00 59.36 59.31 2kkp h GLU 10 Cb 0.12 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.80 2kkp h GLU 10 CO -0.15 0.58 -0.48 0.37 -0.00 0.00 0.00 179.01 179.34 2kkp h GLN 11 N 0.53 0.64 0.16 1.06 5.75 -1.80 -2.35 115.11 119.10 2kkp h GLN 11 Ca 0.11 -0.45 -0.01 0.00 -0.15 0.00 0.00 58.65 58.16 2kkp h GLN 11 Cb 0.35 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2kkp h GLN 11 CO 0.01 1.07 -0.08 2.35 -2.65 0.00 0.00 178.83 179.53 2kkp h TRP 12 N 0.31 -0.20 -0.88 3.99 7.01 -0.90 -1.94 115.95 123.34 2kkp h TRP 12 Ca -0.01 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.02 2kkp h TRP 12 Cb 1.09 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.17 2kkp h TRP 12 CO 0.09 0.05 0.58 -0.07 -2.79 0.00 0.00 178.44 176.30 2kkp h LEU 13 N -0.44 0.96 -0.50 0.65 -0.00 -1.31 0.50 115.31 115.17 2kkp h LEU 13 Ca -0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2kkp h LEU 13 Cb 0.34 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.75 2kkp h LEU 13 CO 0.04 0.67 0.33 -1.13 -0.00 0.00 0.00 178.44 178.34 2kkp h ASN 14 N 1.12 0.57 0.20 -0.43 -1.24 -1.24 -2.21 115.58 112.35 2kkp h ASN 14 Ca 0.35 -0.01 -0.25 0.00 0.71 0.00 0.00 56.30 57.10 2kkp h ASN 14 Cb -0.00 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 38.92 2kkp h ASN 14 CO -0.10 0.41 -1.00 -0.09 -1.29 0.00 0.00 177.43 175.36 2kkp h ARG 15 N 0.67 0.54 -0.00 6.67 2.43 -0.73 -3.14 114.38 120.82 2kkp h ARG 15 Ca 0.18 -0.58 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 2kkp h ARG 15 Cb -0.07 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2kkp h ARG 15 CO -0.04 1.21 -0.40 2.35 -1.51 0.00 0.00 179.97 181.57 2kkp h TRP 16 N 0.30 -1.14 -0.22 2.20 7.01 0.34 0.30 115.95 124.74 2kkp h TRP 16 Ca -0.10 0.04 -0.12 0.00 2.11 0.00 0.00 58.89 60.81 2kkp h TRP 16 Cb 1.64 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 29.19 2kkp h TRP 16 CO 0.08 -0.48 -0.38 1.37 -2.79 0.00 0.00 178.44 176.24 2kkp h LEU 17 N -0.56 0.52 -0.53 0.65 8.10 -1.54 0.17 115.31 122.12 2kkp h LEU 17 Ca 0.05 -0.22 -0.15 0.00 0.11 0.00 0.00 57.88 57.67 2kkp h LEU 17 Cb 0.64 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2kkp h LEU 17 CO -0.31 0.85 -0.49 0.74 -4.11 0.00 0.00 178.44 175.12 2kkp h THR 18 N 0.42 1.31 0.03 0.15 2.02 -1.36 -2.81 112.91 112.66 2kkp h THR 18 Ca 0.04 -1.71 -0.34 0.00 0.77 0.00 0.00 66.41 65.18 2kkp h THR 18 Cb 0.85 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.88 2kkp h THR 18 CO 0.07 0.54 -1.88 -0.67 0.37 0.00 0.00 175.52 173.95 2kkp n ASP 19 N -3.99 1.96 -0.73 4.18 -0.08 0.10 -4.51 116.55 113.48 2kkp n ASP 19 Ca -0.03 0.29 0.13 0.00 -1.51 0.00 0.00 54.79 53.67 2kkp n ASP 19 Cb 0.58 -0.84 0.32 0.00 2.34 0.00 0.00 41.12 43.52 2kkp n ASP 19 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kkp n TYR 20 N -4.04 0.09 0.44 -0.67 4.01 0.58 -4.12 117.16 113.45 2kkp n TYR 20 Ca -0.39 -0.05 -0.19 0.00 -0.16 0.00 0.00 57.90 57.11 2kkp n TYR 20 Cb 0.85 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.79 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 4.44 -1.10 -5.59 -0.72 0.00 -1.59 -3.49 119.26 111.22 2kkp h ALA 21 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2kkp h ALA 21 Cb 0.72 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kkp h ALA 21 CO 0.00 -1.10 -0.75 1.17 0.00 0.00 0.00 179.25 178.57 2kkp n LYS 22 N -5.55 -2.35 -0.08 0.00 3.00 -1.26 -4.91 118.16 107.00 2kkp n LYS 22 Ca -0.15 2.01 -0.07 0.00 -0.00 0.00 0.00 58.31 60.10 2kkp n LYS 22 Cb 0.44 -4.64 0.00 0.00 0.00 0.00 0.00 35.03 30.84 2kkp n LYS 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2kkp h PRO 23 N 2.26 0.20 0.00 1.64 0.11 -1.94 -3.46 132.00 130.81 2kkp h PRO 23 Ca -0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2kkp h PRO 23 Cb 0.94 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2kkp h PRO 23 CO 0.18 0.13 0.00 1.58 -0.21 0.00 0.00 178.00 179.69 2kkp n HIS 24 N -5.06 0.00 -2.74 0.65 -0.00 -1.26 -1.52 115.22 105.29 2kkp n HIS 24 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 2kkp n HIS 24 Cb 0.12 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.02 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 0.00 -2.94 -1.57 0.27 7.94 -1.26 -4.93 117.00 114.51 2kkp n LEU 25 Ca 0.00 -2.86 -0.18 0.00 -1.11 0.00 0.00 56.01 51.86 2kkp n LEU 25 Cb 0.00 0.76 -0.06 0.00 0.53 0.00 0.00 43.42 44.66 2kkp n LEU 25 CO 0.00 1.89 -0.19 0.54 -1.11 0.00 0.00 177.39 178.52 2kkp n ARG 26 N 2.28 -1.30 -3.36 1.96 1.74 -1.22 -4.94 116.66 111.82 2kkp n ARG 26 Ca 0.13 1.05 -0.46 0.00 -0.77 0.00 0.00 57.85 57.80 2kkp n ARG 26 Cb 0.61 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 26.63 2kkp n ARG 26 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2kkp s GLN 27 N -3.92 3.29 -0.33 5.56 0.74 -0.57 -4.89 119.66 119.54 2kkp s GLN 27 Ca 0.00 -2.22 0.00 0.00 0.05 0.00 0.00 55.36 53.19 2kkp s GLN 27 Cb 0.00 -4.31 0.19 0.00 1.10 0.00 0.00 33.01 29.98 2kkp s GLN 27 CO 0.00 -1.29 0.78 0.45 -0.55 0.00 0.00 175.29 174.68 2kkp s SER 28 N 2.49 -1.12 0.06 6.67 0.15 -1.26 -4.44 113.70 116.24 2kkp s SER 28 Ca 0.13 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.65 2kkp s SER 28 Cb -0.17 1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 65.68 2kkp s SER 28 CO -0.05 -0.17 -0.13 0.28 1.20 0.00 0.00 173.24 174.37 2kkp s THR 29 N 2.43 1.00 -1.07 6.45 -1.32 -1.26 -4.89 115.64 116.97 2kkp s THR 29 Ca 0.16 -1.18 -0.07 0.00 -1.21 0.00 0.00 61.69 59.39 2kkp s THR 29 Cb -0.04 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 2kkp s THR 29 CO -0.18 -0.20 0.91 0.79 -2.21 0.00 0.00 174.62 173.73 2kkp n TRP 30 N 1.47 -2.39 -0.35 9.09 7.02 -1.26 -4.91 117.44 126.11 2kkp n TRP 30 Ca -0.21 0.82 0.12 0.00 -1.02 0.00 0.00 57.50 57.21 2kkp n TRP 30 Cb 0.54 -4.13 0.32 0.00 -2.42 0.00 0.00 31.31 25.62 2kkp n TRP 30 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 2kkp n GLU 31 N -3.40 2.74 0.33 -0.99 0.00 -1.26 -4.58 120.64 113.47 2kkp n GLU 31 Ca -0.09 -2.64 0.21 0.00 0.00 0.00 0.00 57.16 54.64 2kkp n GLU 31 Cb 0.62 -1.56 1.12 0.00 0.00 0.00 0.00 31.44 31.63 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 4.21 0.00 1.19 -1.84 0.02 -2.02 0.15 113.55 115.26 2kkp h SER 32 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkp h SER 32 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 2kkp h SER 32 CO 0.00 0.00 -0.01 0.10 -1.14 0.00 0.00 176.83 175.78 2kkp h TYR 33 N 0.00 0.00 -0.07 3.45 -0.00 -2.01 -2.32 116.97 116.03 2kkp h TYR 33 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.59 2kkp h TYR 33 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.78 2kkp h TYR 33 CO 0.00 0.01 -0.59 1.49 -0.00 0.00 0.00 178.16 179.06 2kkp h GLU 34 N 0.00 0.22 0.50 0.10 4.22 -1.33 -2.94 114.58 115.36 2kkp h GLU 34 Ca -0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.27 2kkp h GLU 34 Cb 0.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2kkp h GLU 34 CO 0.00 0.75 -0.24 1.15 -2.18 0.00 0.00 179.01 178.49 2kkp h THR 35 N 0.17 0.46 -0.80 0.32 2.02 -1.52 -1.34 112.91 112.21 2kkp h THR 35 Ca -0.00 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 66.95 2kkp h THR 35 Cb 1.09 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 2kkp h THR 35 CO 0.09 0.04 0.52 -0.37 0.37 0.00 0.00 175.52 176.18 2kkp h VAL 36 N -0.86 1.07 0.30 3.16 -1.51 -1.61 0.05 116.25 116.85 2kkp h VAL 36 Ca -0.07 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 2kkp h VAL 36 Cb 0.59 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 2kkp h VAL 36 CO 0.11 0.16 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.39 2kkp h LEU 37 N 0.90 -0.38 -1.61 4.19 3.38 -1.37 -2.25 115.31 118.17 2kkp h LEU 37 Ca 0.33 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.33 2kkp h LEU 37 Cb 0.17 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2kkp h LEU 37 CO -0.11 -0.26 0.27 0.08 0.09 0.00 0.00 178.44 178.51 2kkp h ARG 38 N -0.42 0.52 -0.37 1.13 0.11 -1.09 0.85 114.38 115.10 2kkp h ARG 38 Ca -0.04 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 2kkp h ARG 38 Cb 0.33 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2kkp h ARG 38 CO 0.06 0.34 0.03 1.25 0.10 0.00 0.00 179.97 181.75 2kkp h LEU 39 N 0.53 0.53 0.00 0.08 5.85 -0.95 -2.99 115.31 118.36 2kkp h LEU 39 Ca 0.15 -0.09 -0.43 0.00 0.84 0.00 0.00 57.88 58.35 2kkp h LEU 39 Cb -0.03 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 2kkp h LEU 39 CO -0.03 0.58 -2.52 1.41 -0.34 0.00 0.00 178.44 177.54 2kkp n HIS 40 N -4.29 0.00 0.12 1.25 8.25 -0.63 -4.60 115.22 115.32 2kkp n HIS 40 Ca 0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.27 2kkp n HIS 40 Cb 0.23 -1.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.20 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 -0.53 1.33 0.02 1.59 3.04 -0.99 -3.34 116.25 117.37 2kkp h VAL 41 Ca -0.65 -2.83 -0.00 0.00 -1.01 0.00 0.00 66.70 62.22 2kkp h VAL 41 Cb 1.75 2.97 0.00 0.00 -2.01 0.00 0.00 31.29 34.00 2kkp h VAL 41 CO -0.27 0.84 -0.01 0.40 -1.01 0.00 0.00 177.57 177.53 2kkp h ILE 42 N 0.11 1.22 -0.06 3.17 2.04 -1.69 0.24 117.51 122.55 2kkp h ILE 42 Ca -0.22 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 2kkp h ILE 42 Cb 2.09 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.89 2kkp h ILE 42 CO 0.24 0.19 -0.13 -0.65 0.00 0.00 0.00 178.15 177.80 2kkp h PRO 43 N -0.35 0.10 0.00 2.37 0.11 -1.74 -0.45 132.00 132.03 2kkp h PRO 43 Ca -0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 2kkp h PRO 43 Cb 0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2kkp h PRO 43 CO 0.00 0.23 -1.71 -2.37 -0.21 0.00 0.00 178.00 173.95 2kkp n THR 44 N -4.34 0.26 -1.60 -1.15 5.66 -1.20 -4.56 114.28 107.36 2kkp n THR 44 Ca -0.02 -0.39 0.06 0.00 -3.05 0.00 0.00 64.05 60.66 2kkp n THR 44 Cb 0.23 -0.07 0.11 0.00 -1.55 0.00 0.00 70.33 69.05 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 -2.13 1.68 0.00 1.09 4.32 0.85 -4.79 117.00 118.02 2kkp n LEU 45 Ca -0.08 -2.61 0.09 0.00 -0.02 0.00 0.00 56.01 53.39 2kkp n LEU 45 Cb 0.53 -0.29 0.54 0.00 -1.62 0.00 0.00 43.42 42.58 2kkp n LEU 45 CO 0.29 0.72 0.80 0.61 -1.22 0.00 0.00 177.39 178.59 2kkp n GLY 46 N -0.76 -0.86 0.92 -0.72 0.00 -0.18 -1.99 105.19 101.59 2kkp n GLY 46 Ca 0.11 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2kkp n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkp n SER 47 N -0.83 3.24 -4.15 1.61 2.88 -1.26 -4.86 113.62 110.25 2kkp n SER 47 Ca 0.14 -1.95 -0.33 0.00 -1.33 0.00 0.00 58.87 55.39 2kkp n SER 47 Cb 0.06 -0.30 -0.15 0.00 -0.75 0.00 0.00 64.21 63.08 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kkp s ILE 48 N -1.06 2.48 0.73 2.46 1.01 -0.84 -4.89 121.20 121.09 2kkp s ILE 48 Ca 0.33 -1.14 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 2kkp s ILE 48 Cb 0.18 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.44 2kkp s ILE 48 CO 0.23 0.25 1.20 -2.84 0.00 0.00 0.00 174.94 173.78 2kkp s PRO 49 N 1.26 2.14 0.34 2.79 0.02 -1.26 -4.05 135.00 136.24 2kkp s PRO 49 Ca -0.01 1.71 0.04 0.00 0.02 0.00 0.00 61.00 62.77 2kkp s PRO 49 Cb -0.16 -1.84 0.66 0.00 0.02 0.00 0.00 34.50 33.18 2kkp s PRO 49 CO -0.07 -1.83 1.93 -0.07 -0.33 0.00 0.00 177.00 176.63 2kkp h LEU 50 N -0.36 0.76 -0.95 -5.54 3.38 -1.25 -0.22 115.31 111.12 2kkp h LEU 50 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kkp h LEU 50 Cb 1.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2kkp h LEU 50 CO 0.50 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.80 2kkp n LYS 51 N -4.49 1.63 -0.00 1.13 5.02 -1.26 -2.71 118.16 117.47 2kkp n LYS 51 Ca 0.12 -0.94 0.08 0.00 -2.02 0.00 0.00 58.31 55.55 2kkp n LYS 51 Cb 0.24 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.16 1.03 -1.76 1.97 4.81 -0.18 -4.96 118.16 119.24 2kkp n LYS 52 Ca 0.17 -0.09 -0.40 0.00 -0.87 0.00 0.00 58.31 57.12 2kkp n LYS 52 Cb 0.30 -1.33 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 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 -3.56 3.42 0.27 3.14 1.98 -0.71 -4.95 118.68 118.27 2kkp s LEU 53 Ca -0.01 1.25 0.07 0.00 -2.89 0.00 0.00 54.13 52.55 2kkp s LEU 53 Cb 0.11 -3.05 -0.03 0.00 0.66 0.00 0.00 46.19 43.88 2kkp s LEU 53 CO 0.66 -2.25 0.22 -1.10 -1.89 0.00 0.00 176.35 171.99 2kkp s GLN 54 N 6.88 2.92 0.53 1.98 -1.52 -1.26 -4.87 119.66 124.32 2kkp s GLN 54 Ca 0.89 -1.08 0.25 0.00 -1.95 0.00 0.00 55.36 53.47 2kkp s GLN 54 Cb -0.22 -2.57 1.39 0.00 -0.22 0.00 0.00 33.01 31.39 2kkp s GLN 54 CO 0.30 0.35 2.01 -1.35 -0.25 0.00 0.00 175.29 176.34 2kkp h PRO 55 N 1.43 0.00 0.00 2.91 0.11 -1.93 0.50 132.00 135.02 2kkp h PRO 55 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2kkp h PRO 55 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2kkp h PRO 55 CO 0.60 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 178.06 2kkp h ALA 56 N 1.75 1.33 0.01 -0.75 0.00 -1.91 -1.25 119.26 118.44 2kkp h ALA 56 Ca 0.23 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2kkp h ALA 56 Cb 0.94 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2kkp h ALA 56 CO -0.00 0.41 -0.99 -0.44 0.00 0.00 0.00 179.25 178.23 2kkp h ASP 57 N 0.00 0.04 0.00 0.00 3.32 -1.29 -2.59 116.42 115.90 2kkp h ASP 57 Ca -0.00 -0.04 -0.23 0.00 0.02 0.00 0.00 57.03 56.77 2kkp h ASP 57 Cb 0.63 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.18 2kkp h ASP 57 CO 0.04 1.01 -0.86 0.40 -1.72 0.00 0.00 179.24 178.11 2kkp h ILE 58 N 0.01 1.30 -0.13 0.35 2.04 -1.09 -2.29 117.51 117.71 2kkp h ILE 58 Ca -0.02 -2.12 -0.08 0.00 1.00 0.00 0.00 64.86 63.64 2kkp h ILE 58 Cb 1.74 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 2kkp h ILE 58 CO 0.13 0.66 -0.28 0.06 0.00 0.00 0.00 178.15 178.72 2kkp h GLN 59 N 0.43 0.24 -0.78 2.37 3.07 -1.29 -1.30 115.11 117.86 2kkp h GLN 59 Ca -0.07 -0.08 0.04 0.00 0.09 0.00 0.00 58.65 58.63 2kkp h GLN 59 Cb 1.49 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 28.98 2kkp h GLN 59 CO 0.17 0.51 0.49 -0.09 0.09 0.00 0.00 178.83 179.99 2kkp h ARG 60 N 0.21 0.90 0.77 0.06 2.43 -1.32 0.36 114.38 117.79 2kkp h ARG 60 Ca 0.03 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2kkp h ARG 60 Cb 0.61 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2kkp h ARG 60 CO 0.04 0.59 -0.40 1.25 -1.51 0.00 0.00 179.97 179.95 2kkp h LEU 61 N 0.93 -0.97 -0.22 3.80 6.46 -0.71 -0.51 115.31 124.08 2kkp h LEU 61 Ca 0.33 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.15 2kkp h LEU 61 Cb 0.08 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2kkp h LEU 61 CO -0.14 -0.66 0.06 1.88 -0.62 0.00 0.00 178.44 178.96 2kkp h TYR 62 N -1.07 0.10 -0.25 1.25 0.05 -1.09 -1.99 116.97 113.97 2kkp h TYR 62 Ca -0.10 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2kkp h TYR 62 Cb 0.84 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2kkp h TYR 62 CO -0.05 0.04 0.13 0.00 -1.05 0.00 0.00 178.16 177.24 2kkp h ALA 63 N 1.15 0.32 -0.52 3.88 0.00 -0.23 0.61 119.26 124.47 2kkp h ALA 63 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kkp h ALA 63 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2kkp h ALA 63 CO -0.12 -0.13 0.26 1.03 0.00 0.00 0.00 179.25 180.29 2kkp h SER 64 N 0.28 0.65 0.61 0.00 0.87 -0.97 -1.76 113.55 113.25 2kkp h SER 64 Ca 0.09 -0.05 -0.27 0.00 -1.23 0.00 0.00 61.79 60.33 2kkp h SER 64 Cb 0.09 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2kkp h SER 64 CO -0.01 0.55 -1.54 0.11 -0.53 0.00 0.00 176.83 175.40 2kkp h LYS 65 N 0.73 0.00 -0.72 2.24 6.56 -0.96 -3.22 116.57 121.20 2kkp h LYS 65 Ca 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.76 2kkp h LYS 65 Cb 0.06 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 2kkp h LYS 65 CO -0.03 0.57 0.40 1.25 -2.06 0.00 0.00 179.45 179.58 2kkp h LEU 66 N 0.00 0.90 -1.91 2.94 5.85 0.45 -1.66 115.31 121.89 2kkp h LEU 66 Ca -0.22 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2kkp h LEU 66 Cb 1.93 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 2kkp h LEU 66 CO 0.09 0.74 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.75 2kkp h GLU 67 N 1.00 0.00 0.00 1.25 4.81 -1.41 -1.23 114.58 119.00 2kkp h GLU 67 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2kkp h GLU 67 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2kkp h GLU 67 CO -0.04 0.09 0.00 0.43 -0.73 0.00 0.00 179.01 178.76 2kkp n SER 68 N -4.22 0.43 0.00 1.04 7.64 -0.64 -4.84 113.62 113.03 2kkp n SER 68 Ca -0.03 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kkp n SER 68 Cb 0.17 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 0.37 1.59 3.77 0.23 0.00 -0.47 -5.11 105.19 105.56 2kkp n GLY 69 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 4.34 0.35 0.99 1.43 -1.14 -5.03 118.68 119.61 2kkp s LEU 70 Ca 0.00 2.21 -0.18 0.00 -1.03 0.00 0.00 54.13 55.13 2kkp s LEU 70 Cb 0.00 -3.89 -0.10 0.00 0.03 0.00 0.00 46.19 42.23 2kkp s LEU 70 CO 0.00 -0.37 0.82 -0.55 0.23 0.00 0.00 176.35 176.48 2kkp s SER 71 N -1.15 6.90 0.52 2.29 0.15 -1.26 -4.72 113.70 116.42 2kkp s SER 71 Ca 0.51 1.46 0.28 0.00 0.70 0.00 0.00 55.95 58.91 2kkp s SER 71 Cb -0.28 -2.45 1.42 0.00 -1.71 0.00 0.00 66.02 63.00 2kkp s SER 71 CO 0.36 -0.22 1.92 -0.65 1.20 0.00 0.00 173.24 175.85 2kkp h PRO 72 N 2.33 0.04 -0.18 5.44 0.11 -1.98 -0.22 132.00 137.55 2kkp h PRO 72 Ca -0.48 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2kkp h PRO 72 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kkp h PRO 72 CO 0.64 0.03 -0.29 1.79 -0.21 0.00 0.00 178.00 179.96 2kkp h THR 73 N 0.04 1.35 -0.45 -1.15 1.35 -1.98 0.54 112.91 112.61 2kkp h THR 73 Ca 0.38 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2kkp h THR 73 Cb 1.46 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.76 2kkp h THR 73 CO -0.02 0.46 0.28 -0.09 -0.25 0.00 0.00 175.52 175.90 2kkp h ARG 74 N 0.15 0.60 -0.47 4.72 9.65 -1.49 -2.06 114.38 125.47 2kkp h ARG 74 Ca 0.01 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 2kkp h ARG 74 Cb 0.87 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 2kkp h ARG 74 CO 0.07 0.43 0.08 0.28 2.80 0.00 0.00 179.97 183.62 2kkp h VAL 75 N 0.60 1.22 -0.66 0.20 2.07 -1.10 -2.78 116.25 115.80 2kkp h VAL 75 Ca 0.16 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2kkp h VAL 75 Cb -0.03 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2kkp h VAL 75 CO -0.03 0.29 0.25 -0.09 0.02 0.00 0.00 177.57 178.01 2kkp h ARG 76 N 0.70 0.97 -0.05 1.57 2.43 -0.30 -1.00 114.38 118.70 2kkp h ARG 76 Ca 0.15 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kkp h ARG 76 Cb 0.31 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2kkp h ARG 76 CO 0.00 0.80 0.02 -0.92 -1.51 0.00 0.00 179.97 178.37 2kkp h TYR 77 N 0.95 0.08 -0.92 2.20 3.20 -1.12 -1.88 116.97 119.47 2kkp h TYR 77 Ca 0.22 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.23 2kkp h TYR 77 Cb 0.21 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 2kkp h TYR 77 CO 0.02 0.18 0.59 0.82 -1.64 0.00 0.00 178.16 178.12 2kkp h ILE 78 N -0.05 0.83 -0.53 1.81 1.08 -1.31 0.08 117.51 119.41 2kkp h ILE 78 Ca 0.02 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2kkp h ILE 78 Cb 0.13 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 2kkp h ILE 78 CO -0.00 0.13 0.26 -0.74 -0.69 0.00 0.00 178.15 177.11 2kkp h HIS 79 N 0.74 0.76 -0.16 1.37 2.76 -0.57 0.55 115.15 120.60 2kkp h HIS 79 Ca 0.47 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.54 2kkp h HIS 79 Cb 0.72 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2kkp h HIS 79 CO -0.00 0.59 -0.14 0.28 -1.30 0.00 0.00 177.93 177.36 2kkp h VAL 80 N 0.72 1.34 -0.04 5.26 2.07 -0.50 -2.38 116.25 122.71 2kkp h VAL 80 Ca 0.18 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 2kkp h VAL 80 Cb 0.11 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2kkp h VAL 80 CO -0.02 0.38 -0.49 1.62 0.02 0.00 0.00 177.57 179.07 2kkp h VAL 81 N 0.01 1.35 -0.13 2.57 3.04 -0.96 -2.14 116.25 119.99 2kkp h VAL 81 Ca 0.03 -1.70 -0.12 0.00 -1.01 0.00 0.00 66.70 63.90 2kkp h VAL 81 Cb 0.66 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 2kkp h VAL 81 CO 0.03 0.49 -0.42 0.25 -1.01 0.00 0.00 177.57 176.91 2kkp h LEU 82 N 0.08 0.33 -0.99 3.16 5.85 -0.88 -2.22 115.31 120.64 2kkp h LEU 82 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kkp h LEU 82 Cb 0.90 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2kkp h LEU 82 CO 0.07 0.72 0.60 -0.74 -0.34 0.00 0.00 178.44 178.75 2kkp h HIS 83 N 0.26 1.25 -0.26 1.25 2.76 -0.85 -0.08 115.15 119.46 2kkp h HIS 83 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kkp h HIS 83 Cb 0.86 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2kkp h HIS 83 CO 0.02 0.81 0.17 1.49 -1.30 0.00 0.00 177.93 179.12 2kkp h GLU 84 N 1.32 0.33 0.13 5.26 4.57 -0.93 -1.28 114.58 123.98 2kkp h GLU 84 Ca 0.35 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 2kkp h GLU 84 Cb -0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2kkp h GLU 84 CO -0.07 0.22 -0.06 0.00 -1.18 0.00 0.00 179.01 177.92 2kkp h ALA 85 N 1.10 -0.17 -0.23 2.92 0.00 -1.00 -2.93 119.26 118.96 2kkp h ALA 85 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2kkp h ALA 85 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kkp h ALA 85 CO -0.03 -0.46 -0.08 0.52 0.00 0.00 0.00 179.25 179.20 2kkp h MET 86 N -0.45 0.35 -0.60 0.00 2.86 -1.01 -2.17 114.93 113.92 2kkp h MET 86 Ca -0.02 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2kkp h MET 86 Cb 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2kkp h MET 86 CO 0.03 0.45 0.15 0.77 1.06 0.00 0.00 176.91 179.37 2kkp h SER 87 N 0.34 0.90 -0.74 1.22 0.02 -1.22 0.21 113.55 114.27 2kkp h SER 87 Ca 0.07 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2kkp h SER 87 Cb 0.36 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2kkp h SER 87 CO 0.02 0.89 0.38 1.56 -1.14 0.00 0.00 176.83 178.54 2kkp h GLN 88 N 0.86 1.05 -0.38 3.45 4.20 -1.22 0.60 115.11 123.68 2kkp h GLN 88 Ca 0.19 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2kkp h GLN 88 Cb 0.34 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2kkp h GLN 88 CO 0.00 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 2kkp h ALA 89 N 1.19 0.51 0.08 3.87 0.00 -1.13 -2.78 119.26 121.00 2kkp h ALA 89 Ca 0.26 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kkp h ALA 89 Cb 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2kkp h ALA 89 CO -0.04 0.28 -0.28 -0.09 0.00 0.00 0.00 179.25 179.13 2kkp h ARG 90 N 0.49 -0.45 0.00 0.00 2.43 -0.13 0.60 114.38 117.32 2kkp h ARG 90 Ca 0.11 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2kkp h ARG 90 Cb 0.46 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2kkp h ARG 90 CO 0.02 -0.30 0.00 0.39 -1.51 0.00 0.00 179.97 178.57 2kkp n GLU 91 N -5.39 0.83 -0.03 0.20 1.02 0.16 -1.08 120.64 116.34 2kkp n GLU 91 Ca -0.06 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.09 2kkp n GLU 91 Cb 0.30 -1.04 0.03 0.00 -0.02 0.00 0.00 31.44 30.71 2kkp n GLU 91 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kkp n SER 92 N -0.54 2.02 -0.11 1.62 7.64 -0.70 -4.98 113.62 118.57 2kkp n SER 92 Ca 0.02 -1.81 -0.01 0.00 1.01 0.00 0.00 58.87 58.07 2kkp n SER 92 Cb 0.01 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 93 N -0.16 0.49 0.06 0.23 0.00 -0.24 -4.87 105.19 100.70 2kkp n GLY 93 Ca 0.03 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2kkp n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kkp n LEU 94 N -0.16 0.60 -3.71 0.99 4.77 0.12 -4.82 117.00 114.78 2kkp n LEU 94 Ca -0.01 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2kkp n LEU 94 Cb 0.13 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2kkp n LEU 94 CO 0.02 -0.06 -0.27 -0.22 -1.33 0.00 0.00 177.39 175.54 2kkp s LEU 95 N -4.57 0.44 0.38 2.23 2.96 -1.08 -4.31 118.68 114.74 2kkp s LEU 95 Ca 0.00 0.23 0.24 0.00 -0.22 0.00 0.00 54.13 54.39 2kkp s LEU 95 Cb 0.12 0.18 0.50 0.00 0.50 0.00 0.00 46.19 47.50 2kkp s LEU 95 CO 0.81 -0.19 1.67 0.17 -1.32 0.00 0.00 176.35 177.48 2kkp h LEU 96 N 7.79 0.00 -8.90 -0.68 -0.00 -1.87 -3.33 115.31 108.31 2kkp h LEU 96 Ca -0.30 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.23 2kkp h LEU 96 Cb 1.13 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.64 2kkp h LEU 96 CO 0.30 0.00 -0.63 0.00 -0.00 0.00 0.00 178.44 178.12 2kkp s GLN 97 N -3.20 1.39 -0.57 0.17 -2.07 -1.26 -5.09 119.66 109.03 2kkp s GLN 97 Ca 0.08 -1.74 -0.07 0.00 -1.82 0.00 0.00 55.36 51.80 2kkp s GLN 97 Cb 0.07 -0.38 0.15 0.00 -1.09 0.00 0.00 33.01 31.76 2kkp s GLN 97 CO 0.64 -0.24 0.43 0.54 -1.32 0.00 0.00 175.29 175.35 2kkp s ASN 98 N -3.31 5.68 0.53 12.60 6.03 -1.26 -4.82 114.94 130.38 2kkp s ASN 98 Ca 0.35 -2.35 0.32 0.00 -1.03 0.00 0.00 52.86 50.15 2kkp s ASN 98 Cb 0.07 -1.98 1.32 0.00 -3.03 0.00 0.00 41.25 37.63 2kkp s ASN 98 CO 0.12 -0.56 1.97 -0.65 -2.03 0.00 0.00 177.10 175.95 2kkp h PRO 99 N 7.86 0.00 -0.62 3.55 0.11 -1.95 -3.07 132.00 137.88 2kkp h PRO 99 Ca -0.09 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 2kkp h PRO 99 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2kkp h PRO 99 CO 0.78 0.06 0.25 1.79 -0.21 0.00 0.00 178.00 180.67 2kkp h THR 100 N 0.00 1.22 0.00 -1.15 1.35 -1.92 -0.16 112.91 112.25 2kkp h THR 100 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2kkp h THR 100 Cb 0.53 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2kkp h THR 100 CO 0.01 0.27 0.00 -0.33 -0.25 0.00 0.00 175.52 175.22 2kkp h GLU 101 N 0.89 0.00 -0.01 4.72 4.39 -1.94 -1.64 114.58 120.99 2kkp h GLU 101 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2kkp h GLU 101 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kkp h GLU 101 CO -0.02 0.00 -0.49 0.00 -1.16 0.00 0.00 179.01 177.34 2kkp n ALA 102 N -2.03 3.52 -2.86 3.43 0.00 -0.95 -4.87 120.51 116.75 2kkp n ALA 102 Ca 0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 2kkp n ALA 102 Cb 0.34 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.14 3.16 -0.06 0.00 0.00 -0.11 -4.93 121.76 117.67 2kkp s ALA 103 Ca 0.11 -2.11 0.02 0.00 0.00 0.00 0.00 51.96 49.97 2kkp s ALA 103 Cb 0.13 -3.95 0.02 0.00 0.00 0.00 0.00 23.12 19.31 2kkp s ALA 103 CO 0.50 -2.88 -0.10 -1.59 0.00 0.00 0.00 175.76 171.69 2kkp s LYS 104 N 3.75 1.42 -0.19 0.00 -2.85 -1.26 -4.90 119.74 115.70 2kkp s LYS 104 Ca 0.26 -0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.64 2kkp s LYS 104 Cb -0.13 -1.24 -0.05 0.00 -2.06 0.00 0.00 37.83 34.35 2kkp s LYS 104 CO 0.04 -0.03 2.02 -2.14 0.10 0.00 0.00 175.35 175.35 2kkp s PRO 105 N 0.81 3.42 0.37 1.78 0.02 -1.26 -4.92 135.00 135.22 2kkp s PRO 105 Ca -0.12 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 2kkp s PRO 105 Cb -0.15 -4.26 -0.09 0.00 0.02 0.00 0.00 34.50 30.01 2kkp s PRO 105 CO 0.02 -1.76 0.82 -1.25 -0.33 0.00 0.00 177.00 174.49 2kkp s PRO 106 N 5.69 4.04 0.00 5.54 0.05 -1.26 -5.09 135.00 143.97 2kkp s PRO 106 Ca 0.91 0.80 0.00 0.00 0.05 0.00 0.00 61.00 62.76 2kkp s PRO 106 Cb -0.32 -2.34 0.00 0.00 0.05 0.00 0.00 34.50 31.90 2kkp s PRO 106 CO 0.35 0.06 0.00 2.89 0.05 0.00 0.00 177.00 180.35 2kkp n ARG 107 N -0.60 1.07 -3.08 4.56 1.85 -1.26 -4.76 116.66 114.44 2kkp n ARG 107 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.82 2kkp n ARG 107 Cb 0.54 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.98 2kkp n ARG 107 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2kkp n HIS 108 N -0.43 -2.60 0.10 2.89 -0.00 -1.26 -4.96 115.22 108.96 2kkp n HIS 108 Ca 0.00 0.95 -0.06 0.00 0.46 0.00 0.00 57.72 59.07 2kkp n HIS 108 Cb 0.00 -4.02 -0.03 0.00 -0.12 0.00 0.00 29.99 25.81 2kkp n HIS 108 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kkp h PRO 109 N -0.30 -0.32 -4.89 1.57 0.13 -2.05 -3.49 132.00 122.66 2kkp h PRO 109 Ca -0.29 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kkp h PRO 109 Cb 1.15 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kkp h PRO 109 CO 0.35 -0.21 -0.90 1.28 -0.23 0.00 0.00 178.00 178.29 2kkp n LEU 110 N -3.33 -7.34 -4.68 1.56 7.99 -1.26 -4.99 117.00 104.96 2kkp n LEU 110 Ca -0.04 1.30 -0.31 0.00 -0.01 0.00 0.00 56.01 56.95 2kkp n LEU 110 Cb 0.15 -3.10 0.16 0.00 -0.11 0.00 0.00 43.42 40.53 2kkp n LEU 110 CO 0.09 -2.89 0.69 -1.61 -1.51 0.00 0.00 177.39 172.15 2kkp s GLU 111 N -1.44 1.09 0.00 3.23 8.01 -1.26 -4.84 118.70 123.49 2kkp s GLU 111 Ca -0.01 1.55 0.00 0.00 0.01 0.00 0.00 54.97 56.53 2kkp s GLU 111 Cb 0.00 -1.74 0.00 0.00 -4.31 0.00 0.00 34.13 28.09 2kkp s GLU 111 CO 0.70 -2.58 1.59 1.58 0.01 0.00 0.00 175.26 176.55 2kkp n HIS 112 N -4.17 0.00 0.00 1.61 -0.00 -1.26 -4.83 115.22 106.57 2kkp n HIS 112 Ca 0.12 -0.79 0.00 0.00 -0.00 0.00 0.00 57.72 57.05 2kkp n HIS 112 Cb 0.52 -0.41 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 2kkp n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kkp n HIS 113 N 1.23 0.00 -3.74 1.57 -0.00 -1.26 -4.57 115.22 108.45 2kkp n HIS 113 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2kkp n HIS 113 Cb 0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.32 2kkp n HIS 113 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kkp s HIS 114 N 0.00 -0.25 -0.04 4.41 -3.43 -1.26 -5.08 115.29 109.64 2kkp s HIS 114 Ca 0.00 0.64 -0.11 0.00 -0.80 0.00 0.00 55.06 54.79 2kkp s HIS 114 Cb 0.00 -0.00 -0.06 0.00 -1.43 0.00 0.00 32.58 31.09 2kkp s HIS 114 CO 0.00 -0.19 0.48 1.25 -2.00 0.00 0.00 174.74 174.28 2kkp h HIS 115 N 7.10 -0.35 -3.27 0.38 2.76 -2.00 -3.50 115.15 116.26 2kkp h HIS 115 Ca -0.40 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2kkp h HIS 115 Cb 1.15 0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.23 2kkp h HIS 115 CO 0.39 -0.22 -0.64 1.58 -1.30 0.00 0.00 177.93 177.74 2kkp n HIS 116 N -4.63 -3.34 1.80 5.26 -0.00 -1.26 -5.15 115.22 107.90 2kkp n HIS 116 Ca -0.05 2.01 0.15 0.00 0.46 0.00 0.00 57.72 60.30 2kkp n HIS 116 Cb 0.15 -3.15 0.78 0.00 -0.12 0.00 0.00 29.99 27.65 2kkp n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38