#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv s GLU 2 N 0.00 3.13 -0.85 0.03 8.01 -1.26 -4.97 118.70 122.78 2kkv s GLU 2 Ca 0.00 -0.79 -0.18 0.00 0.01 0.00 0.00 54.97 54.01 2kkv s GLU 2 Cb 0.00 -4.21 0.15 0.00 -4.31 0.00 0.00 34.13 25.76 2kkv s GLU 2 CO 0.00 -1.77 0.98 -0.80 0.01 0.00 0.00 175.26 173.69 2kkv s ASN 3 N 3.58 6.59 -0.40 -0.19 -0.87 -1.26 -5.00 114.94 117.39 2kkv s ASN 3 Ca 0.22 -2.09 -0.21 0.00 -1.57 0.00 0.00 52.86 49.21 2kkv s ASN 3 Cb -0.17 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.74 2kkv s ASN 3 CO 0.11 -0.96 0.67 -0.44 -2.57 0.00 0.00 177.10 173.90 2kkv s SER 4 N 3.26 6.39 0.08 -1.22 0.01 -1.26 -5.01 113.70 115.95 2kkv s SER 4 Ca 0.26 -0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 2kkv s SER 4 Cb -0.09 -2.34 0.06 0.00 0.21 0.00 0.00 66.02 63.87 2kkv s SER 4 CO -0.07 -0.73 0.56 -0.83 0.41 0.00 0.00 173.24 172.59 2kkv s GLY 5 N 1.93 -0.51 0.00 3.44 0.00 -1.26 -4.90 107.32 106.02 2kkv s GLY 5 Ca 0.25 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2kkv s GLY 5 CO 0.18 0.29 0.00 0.00 0.00 0.00 0.00 173.10 173.57 2kkv n ALA 6 N 0.13 0.26 -1.68 3.20 0.00 -1.26 -5.03 120.51 116.12 2kkv n ALA 6 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kkv n ALA 6 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2kkv n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kkv n TYR 7 N -0.63 0.00 -3.05 0.00 0.18 -1.26 -5.05 117.16 107.35 2kkv n TYR 7 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2kkv n TYR 7 Cb 0.00 0.20 0.00 0.00 -0.38 0.00 0.00 39.34 39.16 2kkv n TYR 7 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2kkv n THR 8 N 0.00 0.00 -0.03 -3.48 -2.24 -1.26 -4.91 114.28 102.36 2kkv n THR 8 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2kkv n THR 8 Cb 0.37 -0.69 0.18 0.00 -2.10 0.00 0.00 70.33 68.08 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2kkv h PHE 9 N 0.23 0.66 -0.69 4.78 3.57 -1.93 -3.08 116.94 120.48 2kkv h PHE 9 Ca 0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2kkv h PHE 9 Cb 0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 2kkv h PHE 9 CO 0.00 0.75 0.37 0.93 -2.23 0.00 0.00 178.31 178.13 2kkv h GLU 10 N 0.53 0.96 0.00 1.11 3.07 -2.00 -3.01 114.58 115.24 2kkv h GLU 10 Ca 0.08 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 2kkv h GLU 10 Cb 0.63 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2kkv h GLU 10 CO 0.04 0.73 -0.30 0.00 -1.40 0.00 0.00 179.01 178.08 2kkv h THR 11 N 0.94 1.19 -0.07 1.13 1.03 -1.88 0.56 112.91 115.81 2kkv h THR 11 Ca 0.24 -1.03 -0.07 0.00 -0.01 0.00 0.00 66.41 65.54 2kkv h THR 11 Cb 0.05 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 2kkv h THR 11 CO -0.04 0.29 -0.23 0.40 -0.01 0.00 0.00 175.52 175.93 2kkv h ILE 12 N 0.00 1.42 -0.63 0.00 1.08 -1.64 -2.95 117.51 114.79 2kkv h ILE 12 Ca -0.00 -1.61 -0.04 0.00 -0.39 0.00 0.00 64.86 62.82 2kkv h ILE 12 Cb 0.54 2.27 -0.03 0.00 -3.07 0.00 0.00 36.82 36.53 2kkv h ILE 12 CO 0.04 0.46 0.24 0.00 -0.69 0.00 0.00 178.15 178.20 2kkv h ALA 13 N 0.45 1.24 -0.11 1.87 0.00 -1.45 -2.50 119.26 118.75 2kkv h ALA 13 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kkv h ALA 13 Cb 0.86 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kkv h ALA 13 CO 0.05 0.56 0.09 -0.09 0.00 0.00 0.00 179.25 179.85 2kkv h ARG 14 N 0.91 0.00 0.36 0.00 1.12 -0.83 -0.41 114.38 115.53 2kkv h ARG 14 Ca 0.21 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.06 2kkv h ARG 14 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2kkv h ARG 14 CO -0.02 0.00 -0.17 1.49 -3.11 0.00 0.00 179.97 178.16 2kkv h GLU 15 N 0.00 -0.47 0.12 0.20 4.57 -1.27 -2.98 114.58 114.76 2kkv h GLU 15 Ca 0.05 0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.98 2kkv h GLU 15 Cb 0.22 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2kkv h GLU 15 CO -0.00 -0.26 -1.35 0.11 -1.18 0.00 0.00 179.01 176.33 2kkv h TRP 16 N -1.10 0.47 0.00 0.92 5.08 -1.62 -3.32 115.95 116.39 2kkv h TRP 16 Ca -0.05 -0.35 -0.03 0.00 1.08 0.00 0.00 58.89 59.54 2kkv h TRP 16 Cb 0.43 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.56 2kkv h TRP 16 CO 0.01 1.31 -0.15 1.25 -1.28 0.00 0.00 178.44 179.58 2kkv h HIS 17 N 0.07 0.00 -0.61 0.12 2.76 -1.23 -3.37 115.15 112.89 2kkv h HIS 17 Ca -0.17 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.12 2kkv h HIS 17 Cb 1.99 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.85 2kkv h HIS 17 CO 0.06 0.15 0.04 1.49 -1.30 0.00 0.00 177.93 178.38 2kkv h GLU 18 N 0.00 0.15 -0.07 5.26 4.81 -1.62 -0.05 114.58 123.06 2kkv h GLU 18 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kkv h GLU 18 Cb 0.79 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2kkv h GLU 18 CO 0.02 0.10 0.00 0.45 -0.73 0.00 0.00 179.01 178.85 2kkv n SER 19 N -5.23 0.76 -3.70 1.04 2.88 -1.26 -4.63 113.62 103.48 2kkv n SER 19 Ca 0.09 -1.52 -0.30 0.00 -1.33 0.00 0.00 58.87 55.81 2kkv n SER 19 Cb 0.35 -0.04 -0.15 0.00 -0.75 0.00 0.00 64.21 63.62 2kkv n SER 19 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2kkv s ASN 20 N -1.61 3.94 0.00 -3.46 2.47 -0.03 -4.91 114.94 111.34 2kkv s ASN 20 Ca 0.31 -1.60 0.00 0.00 0.42 0.00 0.00 52.86 51.99 2kkv s ASN 20 Cb 0.15 -0.78 0.00 0.00 -1.45 0.00 0.00 41.25 39.17 2kkv s ASN 20 CO 0.25 -0.42 0.00 1.17 -3.72 0.00 0.00 177.10 174.38 2kkv n LYS 21 N 4.89 0.00 -3.34 0.43 0.00 -1.26 -4.90 118.16 113.98 2kkv n LYS 21 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.31 2kkv n LYS 21 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.42 2kkv n LYS 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kkv s ARG 22 N -0.68 0.49 -0.88 1.64 3.00 -1.26 -5.10 118.95 116.17 2kkv s ARG 22 Ca 0.00 1.03 -0.25 0.00 -1.00 0.00 0.00 55.73 55.52 2kkv s ARG 22 Cb 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 34.95 35.52 2kkv s ARG 22 CO 0.00 -0.38 1.83 -1.58 0.00 0.00 0.00 175.30 175.18 2kkv s TRP 23 N 2.83 1.92 0.00 5.12 0.51 -1.26 -4.57 118.94 123.50 2kkv s TRP 23 Ca 0.07 0.38 0.00 0.00 -2.12 0.00 0.00 56.10 54.44 2kkv s TRP 23 Cb -0.12 -4.18 0.00 0.00 -0.81 0.00 0.00 33.47 28.36 2kkv s TRP 23 CO -0.19 -1.86 0.00 -1.13 -0.51 0.00 0.00 176.95 173.26 2kkv n SER 24 N 12.83 0.00 0.09 2.95 3.41 -1.26 -5.05 113.62 126.59 2kkv n SER 24 Ca 0.35 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 2kkv n SER 24 Cb 0.48 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.85 2kkv n SER 24 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2kkv h GLU 25 N 0.00 0.33 -0.19 4.33 9.09 -1.97 0.25 114.58 126.42 2kkv h GLU 25 Ca 0.00 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.34 2kkv h GLU 25 Cb 0.00 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 2kkv h GLU 25 CO 0.00 0.35 0.05 -0.44 0.05 0.00 0.00 179.01 179.02 2kkv h ASP 26 N 0.32 0.28 0.36 3.06 5.19 -1.97 0.14 116.42 123.81 2kkv h ASP 26 Ca 0.08 -0.22 -0.16 0.00 -0.62 0.00 0.00 57.03 56.11 2kkv h ASP 26 Cb 0.21 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2kkv h ASP 26 CO 0.00 0.42 -0.65 0.45 -3.12 0.00 0.00 179.24 176.35 2kkv h HIS 27 N 0.12 0.35 -0.51 4.55 3.86 -1.77 -1.97 115.15 119.78 2kkv h HIS 27 Ca 0.06 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 2kkv h HIS 27 Cb 0.25 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2kkv h HIS 27 CO 0.00 0.84 -0.01 -0.09 0.86 0.00 0.00 177.93 179.53 2kkv h ARG 28 N 0.19 0.86 0.10 2.45 9.65 -0.37 -3.13 114.38 124.13 2kkv h ARG 28 Ca -0.01 -0.25 -0.29 0.00 -1.10 0.00 0.00 59.98 58.33 2kkv h ARG 28 Cb 1.18 -0.09 0.03 0.00 -1.39 0.00 0.00 29.97 29.69 2kkv h ARG 28 CO 0.10 0.86 -1.21 1.03 2.80 0.00 0.00 179.97 183.56 2kkv h SER 29 N 0.80 0.89 -0.12 -3.80 0.87 -0.47 -3.32 113.55 108.40 2kkv h SER 29 Ca 0.15 -0.80 -0.06 0.00 -1.23 0.00 0.00 61.79 59.85 2kkv h SER 29 Cb 0.49 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2kkv h SER 29 CO 0.02 1.60 -0.09 0.08 -0.53 0.00 0.00 176.83 177.91 2kkv h ARG 30 N 0.31 0.44 0.00 2.24 0.11 -1.38 -2.08 114.38 114.02 2kkv h ARG 30 Ca -0.18 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2kkv h ARG 30 Cb 1.88 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.90 2kkv h ARG 30 CO 0.23 0.54 0.00 -0.39 0.10 0.00 0.00 179.97 180.45 2kkv h VAL 31 N 0.41 0.00 -0.45 0.08 -1.51 -1.63 -1.38 116.25 111.76 2kkv h VAL 31 Ca 0.08 -0.19 -0.06 0.00 -1.23 0.00 0.00 66.70 65.30 2kkv h VAL 31 Cb 0.42 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 2kkv h VAL 31 CO 0.02 0.00 0.01 0.25 -1.23 0.00 0.00 177.57 176.63 2kkv h LEU 32 N 0.00 0.69 -0.66 4.19 5.85 -1.52 0.29 115.31 124.16 2kkv h LEU 32 Ca 0.00 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 2kkv h LEU 32 Cb 0.25 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2kkv h LEU 32 CO 0.00 0.76 -0.59 0.03 -0.34 0.00 0.00 178.44 178.30 2kkv h ARG 33 N 0.69 0.25 0.00 1.25 -0.00 -1.40 -2.81 114.38 112.37 2kkv h ARG 33 Ca 0.14 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.98 59.39 2kkv h ARG 33 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 2kkv h ARG 33 CO 0.01 0.77 -0.30 -0.92 0.00 0.00 0.00 179.97 179.54 2kkv h TYR 34 N 0.19 0.00 -0.18 3.04 3.20 -1.34 -2.72 116.97 119.16 2kkv h TYR 34 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2kkv h TYR 34 Cb 1.09 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2kkv h TYR 34 CO 0.02 0.30 0.07 1.25 -1.64 0.00 0.00 178.16 178.16 2kkv h LEU 35 N 0.00 0.22 -0.48 2.82 5.85 -0.68 -1.31 115.31 121.73 2kkv h LEU 35 Ca -0.00 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2kkv h LEU 35 Cb 0.92 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2kkv h LEU 35 CO 0.04 0.20 -0.71 -0.33 -0.34 0.00 0.00 178.44 177.30 2kkv h GLU 36 N 0.25 0.00 0.00 1.25 4.39 -1.53 -3.03 114.58 115.90 2kkv h GLU 36 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kkv h GLU 36 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2kkv h GLU 36 CO -0.01 0.71 -0.03 1.25 -1.16 0.00 0.00 179.01 179.77 2kkv h LEU 37 N 0.00 0.00 -2.38 1.33 6.46 -1.28 -3.40 115.31 116.04 2kkv h LEU 37 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2kkv h LEU 37 Cb 1.31 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 2kkv h LEU 37 CO 0.09 0.25 0.00 -1.22 -0.62 0.00 0.00 178.44 176.95 2kkv n TYR 38 N -3.33 0.50 -5.04 1.25 4.01 -0.90 -4.79 117.16 108.87 2kkv n TYR 38 Ca -0.00 -0.29 -0.31 0.00 -0.16 0.00 0.00 57.90 57.13 2kkv n TYR 38 Cb 0.02 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.87 2kkv n TYR 38 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kkv s ILE 39 N -1.29 1.90 -0.84 -0.72 -1.09 -1.14 -4.71 121.20 113.30 2kkv s ILE 39 Ca 0.35 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.83 2kkv s ILE 39 Cb 0.20 -1.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.40 2kkv s ILE 39 CO 0.28 0.52 0.72 0.49 -1.23 0.00 0.00 174.94 175.72 2kkv n PHE 40 N 3.65 -1.74 0.25 3.97 3.72 -1.26 -4.48 117.46 121.57 2kkv n PHE 40 Ca -0.20 0.67 -0.15 0.00 -0.05 0.00 0.00 57.45 57.73 2kkv n PHE 40 Cb 0.53 -4.02 -0.08 0.00 -0.94 0.00 0.00 39.48 34.96 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kkv h PRO 41 N -1.12 -0.60 0.00 -1.08 0.13 -1.86 -2.69 132.00 124.77 2kkv h PRO 41 Ca -0.45 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kkv h PRO 41 Cb 1.24 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2kkv h PRO 41 CO 0.35 -0.32 -0.82 1.58 -0.23 0.00 0.00 178.00 178.56 2kkv n HIS 42 N -5.28 0.00 -0.58 1.56 -0.00 -1.26 -4.54 115.22 105.11 2kkv n HIS 42 Ca -0.11 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.68 2kkv n HIS 42 Cb 0.30 -0.03 0.19 0.00 -0.00 0.00 0.00 29.99 30.45 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kkv n ILE 43 N -1.43 1.63 0.26 3.57 -5.35 -1.25 -4.66 119.36 112.13 2kkv n ILE 43 Ca 0.02 -1.47 0.08 0.00 -0.27 0.00 0.00 62.75 61.12 2kkv n ILE 43 Cb 0.26 0.12 0.65 0.00 -1.74 0.00 0.00 39.64 38.93 2kkv n ILE 43 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2kkv h GLY 44 N 1.67 0.00 -2.79 3.28 0.00 -1.71 -2.07 103.07 101.45 2kkv h GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kkv h GLY 44 CO 0.10 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.08 2kkv n SER 45 N -4.37 4.31 -4.81 0.19 7.64 -1.26 -4.94 113.62 110.37 2kkv n SER 45 Ca -0.03 -2.49 -0.29 0.00 1.01 0.00 0.00 58.87 57.08 2kkv n SER 45 Cb 0.13 -0.57 0.13 0.00 -1.01 0.00 0.00 64.21 62.89 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kkv s SER 46 N -0.77 3.70 0.33 6.43 0.01 -0.78 -5.08 113.70 117.54 2kkv s SER 46 Ca 0.43 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.71 2kkv s SER 46 Cb 0.30 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 2kkv s SER 46 CO 0.18 -2.43 0.34 -0.62 0.41 0.00 0.00 173.24 171.12 2kkv s ASP 47 N -4.12 5.46 0.07 2.44 -1.08 -0.78 -4.98 116.67 113.68 2kkv s ASP 47 Ca 0.63 -0.42 -0.11 0.00 -0.52 0.00 0.00 52.55 52.14 2kkv s ASP 47 Cb -0.14 -1.04 -0.25 0.00 -1.46 0.00 0.00 42.92 40.03 2kkv s ASP 47 CO 0.53 -0.37 1.15 -0.29 0.52 0.00 0.00 175.17 176.71 2kkv h ILE 48 N 1.16 1.34 0.00 4.11 2.10 -1.91 -2.98 117.51 121.33 2kkv h ILE 48 Ca -0.45 -2.54 -0.06 0.00 1.08 0.00 0.00 64.86 62.89 2kkv h ILE 48 Cb 1.25 2.67 -0.01 0.00 -1.09 0.00 0.00 36.82 39.64 2kkv h ILE 48 CO 0.57 0.77 -0.35 0.03 -1.08 0.00 0.00 178.15 178.08 2kkv h ARG 49 N 0.24 0.00 -2.78 2.19 3.08 -1.94 -3.38 114.38 111.80 2kkv h ARG 49 Ca -0.16 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.29 2kkv h ARG 49 Cb 1.86 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.51 2kkv h ARG 49 CO 0.22 0.28 -0.79 -0.65 -1.07 0.00 0.00 179.97 177.96 2kkv s GLN 50 N -3.07 1.32 0.33 0.04 -1.52 -1.23 -4.64 119.66 110.89 2kkv s GLN 50 Ca 0.05 -2.23 0.02 0.00 -1.95 0.00 0.00 55.36 51.25 2kkv s GLN 50 Cb 0.07 -2.16 -0.03 0.00 -0.22 0.00 0.00 33.01 30.67 2kkv s GLN 50 CO 0.72 -1.26 0.51 -1.17 -0.25 0.00 0.00 175.29 173.84 2kkv s LEU 51 N -0.01 4.05 0.65 2.90 2.96 -1.13 -1.87 118.68 126.23 2kkv s LEU 51 Ca 0.24 0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 54.30 2kkv s LEU 51 Cb -0.12 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 2kkv s LEU 51 CO -0.09 -0.30 1.05 -0.54 -1.32 0.00 0.00 176.35 175.15 2kkv s LYS 52 N -4.24 3.19 0.00 1.98 -0.14 -1.26 -4.97 119.74 114.30 2kkv s LYS 52 Ca 0.40 0.98 0.00 0.00 -1.36 0.00 0.00 55.97 55.99 2kkv s LYS 52 Cb -0.09 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 2kkv s LYS 52 CO 0.34 -0.90 0.00 0.25 -0.76 0.00 0.00 175.35 174.28 2kkv n THR 53 N -2.71 0.00 0.55 2.17 -2.24 -1.26 -4.79 114.28 106.00 2kkv n THR 53 Ca 0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.86 2kkv n THR 53 Cb 0.53 -1.89 0.04 0.00 -2.10 0.00 0.00 70.33 66.92 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kkv n SER 54 N -0.69 0.00 0.20 3.42 7.64 -1.26 -1.67 113.62 121.26 2kkv n SER 54 Ca 0.00 -0.50 0.06 0.00 1.01 0.00 0.00 58.87 59.44 2kkv n SER 54 Cb 0.00 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 63.60 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kkv h HIS 55 N 0.00 0.00 0.00 1.43 -0.00 -1.99 -2.60 115.15 111.99 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kkv h HIS 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2kkv h HIS 55 CO 0.00 0.34 0.00 1.37 -0.00 0.00 0.00 177.93 179.64 2kkv h LEU 56 N 0.00 0.00 -1.39 2.43 8.10 -1.65 -2.41 115.31 120.39 2kkv h LEU 56 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2kkv h LEU 56 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 2kkv h LEU 56 CO 0.04 0.00 -0.19 0.25 -4.11 0.00 0.00 178.44 174.43 2kkv h LEU 57 N 0.00 0.00 0.53 0.17 5.85 -1.70 -3.16 115.31 117.00 2kkv h LEU 57 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2kkv h LEU 57 Cb 0.22 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.25 2kkv h LEU 57 CO 0.00 0.19 -0.25 0.00 -0.34 0.00 0.00 178.44 178.04 2kkv h ALA 58 N 1.81 -0.71 0.00 1.25 0.00 -1.62 0.88 119.26 120.87 2kkv h ALA 58 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2kkv h ALA 58 Cb 0.61 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2kkv h ALA 58 CO 0.02 -0.88 -0.18 -1.00 0.00 0.00 0.00 179.25 177.22 2kkv h PRO 59 N -0.75 0.00 0.00 0.00 0.13 -1.78 -1.99 132.00 127.61 2kkv h PRO 59 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 2kkv h PRO 59 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2kkv h PRO 59 CO 0.12 0.18 -0.30 0.82 -0.23 0.00 0.00 178.00 178.59 2kkv h ILE 60 N 0.00 0.64 -0.35 -3.56 1.08 -1.44 -3.11 117.51 110.77 2kkv h ILE 60 Ca -0.00 -1.41 -0.17 0.00 -0.39 0.00 0.00 64.86 62.89 2kkv h ILE 60 Cb 0.55 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2kkv h ILE 60 CO 0.02 0.29 -0.44 0.50 -0.69 0.00 0.00 178.15 177.83 2kkv h LYS 61 N 0.00 0.91 -0.12 2.37 1.63 -0.04 0.73 116.57 122.06 2kkv h LYS 61 Ca -0.00 -0.51 -0.14 0.00 -0.85 0.00 0.00 60.65 59.15 2kkv h LYS 61 Cb 0.92 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 2kkv h LYS 61 CO 0.04 1.16 -0.53 1.05 -3.45 0.00 0.00 179.45 177.72 2kkv h GLU 62 N 0.73 0.33 -0.02 1.90 4.11 -1.54 -0.06 114.58 120.02 2kkv h GLU 62 Ca 0.04 -0.20 -0.16 0.00 0.07 0.00 0.00 59.36 59.11 2kkv h GLU 62 Cb 1.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kkv h GLU 62 CO 0.10 0.77 -0.73 -0.39 0.07 0.00 0.00 179.01 178.84 2kkv h VAL 63 N 0.25 1.47 0.58 -1.06 -1.51 -1.46 -0.80 116.25 113.72 2kkv h VAL 63 Ca 0.01 -2.37 -0.02 0.00 -1.23 0.00 0.00 66.70 63.08 2kkv h VAL 63 Cb 1.01 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 32.45 2kkv h VAL 63 CO 0.09 0.69 -0.32 -0.78 -1.23 0.00 0.00 177.57 176.02 2kkv h ASP 64 N 0.08 -0.78 0.77 4.19 1.82 -0.47 -2.87 116.42 119.16 2kkv h ASP 64 Ca -0.02 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2kkv h ASP 64 Cb 1.30 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.52 2kkv h ASP 64 CO 0.11 -0.51 0.00 0.41 -1.61 0.00 0.00 179.24 177.63 2kkv n THR 65 N -5.46 0.76 0.32 2.25 -1.04 -0.07 -2.14 114.28 108.91 2kkv n THR 65 Ca -0.12 0.14 0.07 0.00 -2.04 0.00 0.00 64.05 62.10 2kkv n THR 65 Cb 0.35 -0.95 0.30 0.00 -1.82 0.00 0.00 70.33 68.21 2kkv n THR 65 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2kkv n SER 66 N -1.89 0.20 0.00 8.00 2.88 -0.31 -4.79 113.62 117.71 2kkv n SER 66 Ca 0.04 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2kkv n SER 66 Cb 0.25 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2kkv n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkv n GLY 67 N -0.50 1.11 2.72 0.46 0.00 -0.91 -5.03 105.19 103.04 2kkv n GLY 67 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2kkv n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kkv n LYS 68 N 0.00 3.07 -0.29 1.61 2.85 -1.09 -4.84 118.16 119.46 2kkv n LYS 68 Ca 0.00 -4.58 -0.03 0.00 -1.05 0.00 0.00 58.31 52.66 2kkv n LYS 68 Cb 0.00 -2.17 0.09 0.00 -0.65 0.00 0.00 35.03 32.31 2kkv n LYS 68 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kkv h HIS 69 N 2.84 0.97 -0.55 5.58 3.86 -1.79 -0.51 115.15 125.56 2kkv h HIS 69 Ca 0.18 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2kkv h HIS 69 Cb 0.70 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2kkv h HIS 69 CO 0.79 0.57 0.31 -0.44 0.86 0.00 0.00 177.93 180.02 2kkv h ASP 70 N 1.02 0.68 -0.26 2.45 3.32 -1.90 -0.97 116.42 120.75 2kkv h ASP 70 Ca 0.32 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2kkv h ASP 70 Cb -0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2kkv h ASP 70 CO -0.10 0.56 0.08 0.58 -1.72 0.00 0.00 179.24 178.64 2kkv h VAL 71 N 0.73 1.19 -0.40 -1.35 2.07 -1.84 -1.89 116.25 114.77 2kkv h VAL 71 Ca 0.19 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2kkv h VAL 71 Cb 0.03 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2kkv h VAL 71 CO -0.03 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.88 2kkv h ALA 72 N 0.91 0.46 -0.54 1.67 0.00 -0.73 0.18 119.26 121.21 2kkv h ALA 72 Ca 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kkv h ALA 72 Cb 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kkv h ALA 72 CO -0.00 -0.28 0.32 1.96 0.00 0.00 0.00 179.25 181.25 2kkv h GLN 73 N 0.27 0.73 -0.89 0.00 1.08 -1.10 -2.08 115.11 113.12 2kkv h GLN 73 Ca 0.19 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2kkv h GLN 73 Cb 0.20 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2kkv h GLN 73 CO -0.22 0.54 0.58 0.00 -0.95 0.00 0.00 178.83 178.78 2kkv h ARG 74 N 0.72 1.18 -0.60 1.46 -0.00 -0.60 -2.71 114.38 113.84 2kkv h ARG 74 Ca 0.19 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 2kkv h ARG 74 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 29.97 29.68 2kkv h ARG 74 CO -0.03 0.79 0.33 -0.07 0.00 0.00 0.00 179.97 180.99 2kkv h LEU 75 N 1.21 0.73 -0.16 3.04 3.38 -0.03 -1.98 115.31 121.50 2kkv h LEU 75 Ca 0.33 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.28 2kkv h LEU 75 Cb -0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2kkv h LEU 75 CO -0.07 0.59 -0.07 1.56 0.09 0.00 0.00 178.44 180.54 2kkv h GLN 76 N 0.83 -0.04 0.00 1.13 1.08 -1.07 -1.64 115.11 115.40 2kkv h GLN 76 Ca 0.21 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2kkv h GLN 76 Cb 0.01 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2kkv h GLN 76 CO -0.04 -0.03 -0.01 1.96 -0.95 0.00 0.00 178.83 179.76 2kkv h GLN 77 N -0.05 0.00 0.14 1.46 4.20 -1.28 -2.88 115.11 116.71 2kkv h GLN 77 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2kkv h GLN 77 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kkv h GLN 77 CO -0.19 0.01 -0.07 0.00 -0.67 0.00 0.00 178.83 177.91 2kkv h ARG 78 N 0.00 -0.18 -0.31 1.46 -0.00 -0.72 -3.06 114.38 111.57 2kkv h ARG 78 Ca -0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.42 2kkv h ARG 78 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.20 2kkv h ARG 78 CO 0.00 0.27 -0.11 -0.39 0.00 0.00 0.00 179.97 179.74 2kkv h VAL 79 N -0.81 1.23 -0.73 2.04 -1.51 -1.29 -1.37 116.25 113.81 2kkv h VAL 79 Ca -0.02 -1.02 -0.07 0.00 -1.23 0.00 0.00 66.70 64.37 2kkv h VAL 79 Cb 0.54 1.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.79 2kkv h VAL 79 CO 0.03 0.33 0.20 0.74 -1.23 0.00 0.00 177.57 177.65 2kkv h THR 80 N 0.48 1.26 -0.39 7.19 2.02 -1.64 -0.31 112.91 121.52 2kkv h THR 80 Ca 0.09 -0.95 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 2kkv h THR 80 Cb 0.49 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2kkv h THR 80 CO 0.03 0.37 -0.26 0.00 0.37 0.00 0.00 175.52 176.03 2kkv h ALA 81 N 1.10 0.80 0.14 6.16 0.00 -1.27 -1.03 119.26 125.18 2kkv h ALA 81 Ca 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kkv h ALA 81 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kkv h ALA 81 CO -0.00 0.65 -0.07 0.82 0.00 0.00 0.00 179.25 180.65 2kkv h ILE 82 N 0.70 0.97 -1.01 0.00 2.04 -1.04 -3.01 117.51 116.16 2kkv h ILE 82 Ca 0.09 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2kkv h ILE 82 Cb 0.79 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 2kkv h ILE 82 CO 0.07 0.11 0.67 -0.03 0.00 0.00 0.00 178.15 178.97 2kkv h MET 83 N -0.42 1.30 0.00 2.37 4.05 -0.98 -2.40 114.93 118.85 2kkv h MET 83 Ca -0.02 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 2kkv h MET 83 Cb 0.33 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2kkv h MET 83 CO 0.03 0.86 -0.27 -0.09 0.23 0.00 0.00 176.91 177.67 2kkv h ARG 84 N 1.34 0.00 -0.03 0.39 9.65 -1.16 -1.66 114.38 122.91 2kkv h ARG 84 Ca 0.38 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 59.06 2kkv h ARG 84 Cb -0.12 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2kkv h ARG 84 CO -0.09 0.27 -0.83 -0.92 2.80 0.00 0.00 179.97 181.20 2kkv h TYR 85 N 0.00 0.51 0.00 2.20 3.20 -1.30 -3.14 116.97 118.44 2kkv h TYR 85 Ca -0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2kkv h TYR 85 Cb 0.51 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2kkv h TYR 85 CO 0.00 1.04 0.00 0.00 -1.64 0.00 0.00 178.16 177.56 2kkv h ALA 86 N 0.88 1.00 -0.61 1.82 0.00 -1.01 -2.46 119.26 118.88 2kkv h ALA 86 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kkv h ALA 86 Cb 1.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2kkv h ALA 86 CO 0.14 0.00 0.38 0.28 0.00 0.00 0.00 179.25 180.05 2kkv h VAL 87 N 0.00 1.09 0.00 0.00 2.07 -1.43 -1.99 116.25 115.99 2kkv h VAL 87 Ca 0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2kkv h VAL 87 Cb 0.39 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2kkv h VAL 87 CO 0.00 0.14 -0.21 -0.61 0.02 0.00 0.00 177.57 176.91 2kkv h GLN 88 N 0.75 0.00 -0.20 1.57 4.15 -1.61 -2.56 115.11 117.21 2kkv h GLN 88 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2kkv h GLN 88 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2kkv h GLN 88 CO -0.09 0.21 0.00 0.09 -1.93 0.00 0.00 178.83 177.11 2kkv n ASN 89 N -3.38 1.40 0.00 -0.69 5.03 -0.77 -4.89 115.26 111.96 2kkv n ASN 89 Ca 0.00 -1.81 0.00 0.00 0.87 0.00 0.00 54.58 53.64 2kkv n ASN 89 Cb 0.42 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kkv n ASP 90 N 0.20 -1.35 0.10 6.41 2.03 -0.96 -4.87 116.55 118.11 2kkv n ASP 90 Ca 0.13 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.31 2kkv n ASP 90 Cb 0.26 -1.36 -0.08 0.00 -0.72 0.00 0.00 41.12 39.22 2kkv n ASP 90 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2kkv h TYR 91 N 0.00 -0.25 -2.13 -0.67 0.05 -1.73 -3.46 116.97 108.77 2kkv h TYR 91 Ca 0.00 -0.01 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 2kkv h TYR 91 Cb 0.14 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2kkv h TYR 91 CO 0.09 0.08 -0.46 0.96 -1.05 0.00 0.00 178.16 177.77 2kkv s ILE 92 N -4.78 4.73 -0.08 -2.88 -4.36 -1.25 -4.63 121.20 107.95 2kkv s ILE 92 Ca -0.15 -1.17 0.06 0.00 -0.26 0.00 0.00 60.65 59.14 2kkv s ILE 92 Cb 0.03 -3.60 -0.09 0.00 1.25 0.00 0.00 42.46 40.04 2kkv s ILE 92 CO 0.59 -0.31 0.01 -0.67 0.24 0.00 0.00 174.94 174.80 2kkv n ASP 93 N -1.34 3.06 -4.25 4.36 2.03 -1.26 -4.83 116.55 114.32 2kkv n ASP 93 Ca -0.07 -0.01 -0.16 0.00 0.52 0.00 0.00 54.79 55.07 2kkv n ASP 93 Cb 0.58 0.59 -0.11 0.00 -0.72 0.00 0.00 41.12 41.46 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kkv s SER 94 N -4.11 1.92 -0.69 1.67 0.15 -1.26 -5.11 113.70 106.27 2kkv s SER 94 Ca -0.05 -0.89 -0.02 0.00 0.70 0.00 0.00 55.95 55.69 2kkv s SER 94 Cb 0.03 -0.05 0.17 0.00 -1.71 0.00 0.00 66.02 64.46 2kkv s SER 94 CO 0.31 -0.22 0.52 0.20 1.20 0.00 0.00 173.24 175.25 2kkv s ASN 95 N -2.76 5.33 0.35 5.45 0.02 -1.26 -4.91 114.94 117.16 2kkv s ASN 95 Ca 0.12 -3.14 0.26 0.00 -1.02 0.00 0.00 52.86 49.08 2kkv s ASN 95 Cb -0.02 -1.84 1.15 0.00 0.02 0.00 0.00 41.25 40.56 2kkv s ASN 95 CO 0.02 -0.30 1.79 -0.65 0.02 0.00 0.00 177.10 177.99 2kkv h PRO 96 N 6.65 0.00 0.00 -0.60 0.11 -1.93 -3.03 132.00 133.20 2kkv h PRO 96 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2kkv h PRO 96 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2kkv h PRO 96 CO 0.74 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 2kkv n ALA 97 N -1.86 2.44 1.08 -0.75 0.00 -1.26 -2.78 120.51 117.38 2kkv n ALA 97 Ca 0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2kkv n ALA 97 Cb 0.21 -1.14 0.26 0.00 0.00 0.00 0.00 19.45 18.78 2kkv n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kkv n SER 98 N -0.65 0.73 -0.06 0.00 7.64 -1.15 -4.19 113.62 115.94 2kkv n SER 98 Ca 0.07 -0.52 -0.08 0.00 1.01 0.00 0.00 58.87 59.34 2kkv n SER 98 Cb 0.03 0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.44 2kkv n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kkv n ASP 99 N -1.20 3.00 0.19 6.43 2.03 -1.12 -4.68 116.55 121.21 2kkv n ASP 99 Ca 0.08 -0.06 0.05 0.00 0.52 0.00 0.00 54.79 55.37 2kkv n ASP 99 Cb 0.34 -0.14 0.38 0.00 -0.72 0.00 0.00 41.12 40.98 2kkv n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkv h MET 100 N 0.00 0.00 -6.01 -0.67 -0.00 -1.76 -3.43 114.93 103.07 2kkv h MET 100 Ca -0.28 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 58.86 2kkv h MET 100 Cb 1.44 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.98 2kkv h MET 100 CO -0.04 0.36 0.20 0.00 -0.00 0.00 0.00 176.91 177.43 2kkv s ALA 101 N -3.83 3.39 0.30 -3.00 0.00 -1.26 -4.98 121.76 112.39 2kkv s ALA 101 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2kkv s ALA 101 Cb 0.12 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2kkv s ALA 101 CO 0.69 -0.32 0.28 0.20 0.00 0.00 0.00 175.76 176.61 2kkv s GLY 102 N 0.96 2.01 -0.29 0.00 0.00 -1.26 -5.01 107.32 103.73 2kkv s GLY 102 Ca 0.38 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 43.20 2kkv s GLY 102 CO 0.17 -1.38 0.03 0.00 0.00 0.00 0.00 173.10 171.92 2kkv s ALA 103 N -3.56 1.97 -0.06 3.20 0.00 -1.26 -4.92 121.76 117.14 2kkv s ALA 103 Ca 0.39 -1.72 0.11 0.00 0.00 0.00 0.00 51.96 50.74 2kkv s ALA 103 Cb 0.03 -1.62 -0.17 0.00 0.00 0.00 0.00 23.12 21.36 2kkv s ALA 103 CO 0.23 -1.49 0.17 1.47 0.00 0.00 0.00 175.76 176.14 2kkv n LEU 104 N 4.66 0.00 -0.08 0.00 -0.00 -1.26 -4.57 117.00 115.74 2kkv n LEU 104 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.84 2kkv n LEU 104 Cb 0.43 0.12 -0.08 0.00 -0.00 0.00 0.00 43.42 43.89 2kkv n LEU 104 CO 0.16 0.12 -0.22 0.28 -0.00 0.00 0.00 177.39 177.74 2kkv h SER 105 N 0.00 0.00 -4.10 1.45 0.02 -1.95 -3.51 113.55 105.46 2kkv h SER 105 Ca -0.13 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2kkv h SER 105 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2kkv h SER 105 CO 0.01 1.07 -0.51 0.41 -1.14 0.00 0.00 176.83 176.67 2kkv n THR 106 N -4.56 -3.47 -3.59 -2.27 -1.04 -1.26 -5.05 114.28 93.05 2kkv n THR 106 Ca -0.17 1.37 -0.18 0.00 -2.04 0.00 0.00 64.05 63.03 2kkv n THR 106 Cb 0.44 -2.08 -0.15 0.00 -1.82 0.00 0.00 70.33 66.72 2kkv n THR 106 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2kkv s THR 107 N -2.14 -0.27 -0.44 12.58 -4.23 -1.26 -5.10 115.64 114.78 2kkv s THR 107 Ca 0.00 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 2kkv s THR 107 Cb 0.00 -0.50 0.13 0.00 1.34 0.00 0.00 72.50 73.47 2kkv s THR 107 CO 0.00 -0.06 0.23 -0.54 -0.54 0.00 0.00 174.62 173.70 2kkv s LYS 108 N 2.29 1.36 0.00 3.99 3.01 -1.26 -4.73 119.74 124.40 2kkv s LYS 108 Ca 0.04 -2.04 0.00 0.00 -1.01 0.00 0.00 55.97 52.97 2kkv s LYS 108 Cb -0.14 -2.49 0.00 0.00 -1.01 0.00 0.00 37.83 34.19 2kkv s LYS 108 CO -0.09 -1.14 0.00 0.00 0.51 0.00 0.00 175.35 174.63 2kkv n ALA 109 N 3.58 0.00 -2.73 5.17 0.00 -1.26 -5.07 120.51 120.19 2kkv n ALA 109 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2kkv n ALA 109 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 2kkv n ALA 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kkv s ARG 110 N -0.78 3.18 -0.33 0.00 6.06 -1.26 -4.89 118.95 120.94 2kkv s ARG 110 Ca 0.00 -0.55 -0.01 0.00 -2.50 0.00 0.00 55.73 52.67 2kkv s ARG 110 Cb 0.00 -4.18 0.19 0.00 0.06 0.00 0.00 34.95 31.02 2kkv s ARG 110 CO 0.00 -1.83 0.81 -1.58 -2.50 0.00 0.00 175.30 170.19 2kkv s HIS 111 N 4.48 -1.19 -0.35 5.12 2.46 -1.26 -5.11 115.29 119.44 2kkv s HIS 111 Ca 0.27 0.49 0.02 0.00 0.47 0.00 0.00 55.06 56.31 2kkv s HIS 111 Cb -0.14 0.21 0.10 0.00 -0.13 0.00 0.00 32.58 32.62 2kkv s HIS 111 CO 0.14 -0.74 0.07 -0.47 -2.47 0.00 0.00 174.74 171.27 2kkv s TYR 112 N 2.48 3.65 0.77 3.88 5.04 -1.26 -5.11 117.35 126.80 2kkv s TYR 112 Ca 0.17 -2.74 -0.11 0.00 -2.44 0.00 0.00 57.07 51.95 2kkv s TYR 112 Cb -0.04 -2.87 0.06 0.00 0.35 0.00 0.00 41.96 39.46 2kkv s TYR 112 CO -0.19 -0.94 1.14 -1.25 -1.34 0.00 0.00 175.55 172.97 2kkv s PRO 113 N 1.00 2.23 0.00 4.97 0.04 -1.26 -5.04 135.00 136.93 2kkv s PRO 113 Ca 0.08 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2kkv s PRO 113 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2kkv s PRO 113 CO -0.06 -1.41 0.00 -0.11 0.04 0.00 0.00 177.00 175.46 2kkv n LEU 114 N -3.19 0.00 -4.15 -3.56 7.94 -1.26 -5.04 117.00 107.74 2kkv n LEU 114 Ca 0.08 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.60 2kkv n LEU 114 Cb 0.60 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.52 2kkv n LEU 114 CO 0.57 -0.11 -0.31 1.21 -1.11 0.00 0.00 177.39 177.64 2kkv n GLU 115 N -1.33 -0.89 -3.89 1.96 4.07 -1.26 -4.93 120.64 114.37 2kkv n GLU 115 Ca 0.00 0.13 -0.30 0.00 -0.06 0.00 0.00 57.16 56.93 2kkv n GLU 115 Cb 0.00 -3.26 -0.15 0.00 -0.06 0.00 0.00 31.44 27.98 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kkv s HIS 116 N -3.95 2.87 -0.19 4.31 2.46 -1.26 -5.05 115.29 114.48 2kkv s HIS 116 Ca 0.23 -2.63 -0.04 0.00 0.47 0.00 0.00 55.06 53.09 2kkv s HIS 116 Cb -0.12 -2.44 0.10 0.00 -0.13 0.00 0.00 32.58 29.98 2kkv s HIS 116 CO 0.97 -0.87 0.29 -3.38 -2.47 0.00 0.00 174.74 169.28 2kkv s HIS 117 N 0.78 -0.51 -0.28 3.88 -3.43 -1.26 -5.13 115.29 109.34 2kkv s HIS 117 Ca 0.13 0.70 -0.16 0.00 -0.80 0.00 0.00 55.06 54.92 2kkv s HIS 117 Cb -0.21 -0.12 0.11 0.00 -1.43 0.00 0.00 32.58 30.93 2kkv s HIS 117 CO -0.10 -0.56 0.81 -1.58 -2.00 0.00 0.00 174.74 171.31 2kkv s HIS 118 N 2.44 -0.86 -0.04 0.38 2.46 -1.26 -5.16 115.29 113.24 2kkv s HIS 118 Ca 0.06 1.73 -0.01 0.00 0.47 0.00 0.00 55.06 57.32 2kkv s HIS 118 Cb -0.14 0.51 0.03 0.00 -0.13 0.00 0.00 32.58 32.85 2kkv s HIS 118 CO -0.12 -0.43 0.02 -3.38 -2.47 0.00 0.00 174.74 168.37 2kkv s HIS 119 N 1.48 0.25 -0.12 3.88 -3.43 -1.26 -5.12 115.29 110.98 2kkv s HIS 119 Ca -0.09 0.07 -0.03 0.00 -0.80 0.00 0.00 55.06 54.21 2kkv s HIS 119 Cb -0.04 -0.48 0.05 0.00 -1.43 0.00 0.00 32.58 30.68 2kkv s HIS 119 CO -0.17 -0.18 0.06 -1.58 -2.00 0.00 0.00 174.74 170.87 2kkv s HIS 120 N 1.56 0.35 -2.11 0.38 5.04 -1.26 -5.38 115.29 113.87 2kkv s HIS 120 Ca -0.02 -0.19 0.17 0.00 -1.54 0.00 0.00 55.06 53.48 2kkv s HIS 120 Cb -0.13 -0.69 0.13 0.00 0.04 0.00 0.00 32.58 31.93 2kkv s HIS 120 CO -0.03 -0.39 1.03 -2.39 -2.34 0.00 0.00 174.74 170.62