#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv h GLU 2 N 0.00 -0.13 -6.43 2.12 4.39 -2.09 -3.37 114.58 109.08 2kkv h GLU 2 Ca 0.00 0.01 -0.54 0.00 0.34 0.00 0.00 59.36 59.17 2kkv h GLU 2 Cb 0.00 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 2kkv h GLU 2 CO 0.00 -0.03 1.05 -0.80 -1.16 0.00 0.00 179.01 178.07 2kkv s ASN 3 N -5.13 6.22 -0.10 1.42 -0.87 -1.26 -4.97 114.94 110.25 2kkv s ASN 3 Ca -0.14 -0.13 -0.29 0.00 -1.57 0.00 0.00 52.86 50.73 2kkv s ASN 3 Cb 0.05 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 2kkv s ASN 3 CO 0.65 -1.72 1.50 -0.44 -2.57 0.00 0.00 177.10 174.52 2kkv s SER 4 N 3.75 6.77 0.00 -1.22 0.01 -1.26 -4.87 113.70 116.88 2kkv s SER 4 Ca 0.41 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.69 2kkv s SER 4 Cb -0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2kkv s SER 4 CO 0.20 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2kkv n GLY 5 N 3.94 2.07 2.68 3.44 0.00 -1.26 -5.04 105.19 111.02 2kkv n GLY 5 Ca 0.16 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv n ALA 6 N -1.43 -0.74 1.21 4.61 0.00 -1.26 -4.87 120.51 118.03 2kkv n ALA 6 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2kkv n ALA 6 Cb 0.00 -2.98 0.33 0.00 0.00 0.00 0.00 19.45 16.80 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 -4.24 0.25 -1.41 0.00 4.11 -1.26 -4.49 117.16 110.12 2kkv n TYR 7 Ca -0.13 -0.13 -0.28 0.00 -0.00 0.00 0.00 57.90 57.36 2kkv n TYR 7 Cb 0.62 0.00 0.22 0.00 -0.00 0.00 0.00 39.34 40.18 2kkv n TYR 7 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2kkv n THR 8 N 0.29 0.00 0.23 -3.48 -2.24 -1.26 -4.84 114.28 102.98 2kkv n THR 8 Ca 0.15 -0.67 0.16 0.00 -2.27 0.00 0.00 64.05 61.42 2kkv n THR 8 Cb 0.30 -1.37 0.84 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.24 0.00 0.45 4.78 3.57 -1.96 -2.70 116.94 118.84 2kkv h PHE 9 Ca -0.40 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 2kkv h PHE 9 Cb 1.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 2kkv h PHE 9 CO 0.00 0.00 -0.25 0.93 -2.23 0.00 0.00 178.31 176.76 2kkv h GLU 10 N 0.00 -0.63 -0.01 1.11 5.08 -1.92 -3.11 114.58 115.10 2kkv h GLU 10 Ca 0.06 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2kkv h GLU 10 Cb 0.35 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2kkv h GLU 10 CO -0.00 -0.42 -0.66 1.15 -1.00 0.00 0.00 179.01 178.08 2kkv h THR 11 N -0.65 1.46 -0.41 1.13 2.02 -1.71 -2.85 112.91 111.90 2kkv h THR 11 Ca -0.06 -2.22 -0.01 0.00 0.77 0.00 0.00 66.41 64.89 2kkv h THR 11 Cb 0.52 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 2kkv h THR 11 CO 0.08 0.64 0.22 0.40 0.37 0.00 0.00 175.52 177.23 2kkv h ILE 12 N 0.04 1.13 -0.10 3.11 1.08 -1.54 0.08 117.51 121.31 2kkv h ILE 12 Ca -0.01 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.04 2kkv h ILE 12 Cb 1.17 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2kkv h ILE 12 CO 0.09 0.14 -0.33 0.00 -0.69 0.00 0.00 178.15 177.36 2kkv h ALA 13 N 1.68 1.25 -0.09 1.87 0.00 -1.43 -2.74 119.26 119.80 2kkv h ALA 13 Ca 0.15 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2kkv h ALA 13 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kkv h ALA 13 CO -0.02 0.51 -0.68 -0.09 0.00 0.00 0.00 179.25 178.96 2kkv h ARG 14 N 0.17 0.38 0.18 0.00 1.12 -1.04 -2.92 114.38 112.28 2kkv h ARG 14 Ca 0.02 -0.29 0.01 0.00 -1.11 0.00 0.00 59.98 58.61 2kkv h ARG 14 Cb 0.68 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.67 2kkv h ARG 14 CO 0.05 0.92 -0.23 0.93 -3.11 0.00 0.00 179.97 178.53 2kkv h GLU 15 N 0.27 -0.45 0.00 0.20 4.39 -0.89 0.38 114.58 118.48 2kkv h GLU 15 Ca -0.02 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 2kkv h GLU 15 Cb 1.24 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 2kkv h GLU 15 CO 0.12 -0.30 -0.43 0.11 -1.16 0.00 0.00 179.01 177.35 2kkv h TRP 16 N -0.47 0.00 -0.23 4.33 5.08 -1.69 -3.27 115.95 119.71 2kkv h TRP 16 Ca 0.01 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.89 2kkv h TRP 16 Cb 0.46 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.61 2kkv h TRP 16 CO -0.19 0.43 -0.25 1.25 -1.28 0.00 0.00 178.44 178.40 2kkv h HIS 17 N 0.00 0.47 0.00 0.12 2.76 -1.13 -3.13 115.15 114.24 2kkv h HIS 17 Ca -0.00 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2kkv h HIS 17 Cb 1.19 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2kkv h HIS 17 CO 0.00 0.64 0.00 -0.85 -1.30 0.00 0.00 177.93 176.42 2kkv n GLU 18 N -4.13 0.02 0.00 5.26 -0.00 0.04 0.18 120.64 122.02 2kkv n GLU 18 Ca -0.00 0.32 0.15 0.00 -0.00 0.00 0.00 57.16 57.63 2kkv n GLU 18 Cb 0.39 -1.55 0.73 0.00 -0.00 0.00 0.00 31.44 31.02 2kkv n GLU 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kkv n SER 19 N -1.59 0.18 -2.50 -1.84 7.64 -1.18 -4.98 113.62 109.34 2kkv n SER 19 Ca 0.03 -0.44 -0.01 0.00 1.01 0.00 0.00 58.87 59.46 2kkv n SER 19 Cb 0.14 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 2kkv n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kkv n ASN 20 N -1.11 -5.22 -0.09 6.43 2.85 0.13 -5.01 115.26 113.24 2kkv n ASN 20 Ca 0.16 1.21 -0.11 0.00 -0.11 0.00 0.00 54.58 55.72 2kkv n ASN 20 Cb 0.24 -4.69 -0.11 0.00 1.24 0.00 0.00 39.78 36.46 2kkv n ASN 20 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2kkv n LYS 21 N 0.85 0.96 -4.16 1.20 0.00 -1.26 -5.06 118.16 110.69 2kkv n LYS 21 Ca -0.11 0.06 -0.11 0.00 0.00 0.00 0.00 58.31 58.15 2kkv n LYS 21 Cb 0.17 -1.40 -0.09 0.00 0.00 0.00 0.00 35.03 33.70 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 -2.39 1.18 0.13 1.64 3.52 -1.26 -5.18 118.95 116.59 2kkv s ARG 22 Ca -0.18 -1.55 0.02 0.00 -0.13 0.00 0.00 55.73 53.90 2kkv s ARG 22 Cb 0.06 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2kkv s ARG 22 CO 0.55 -0.39 0.16 -2.67 -0.81 0.00 0.00 175.30 172.14 2kkv n TRP 23 N -0.25 -2.52 -1.51 5.12 4.27 -1.26 -4.70 117.44 116.60 2kkv n TRP 23 Ca 0.00 -0.48 -0.08 0.00 -3.89 0.00 0.00 57.50 53.05 2kkv n TRP 23 Cb 0.65 -0.12 -0.03 0.00 -1.36 0.00 0.00 31.31 30.46 2kkv n TRP 23 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2kkv n SER 24 N -2.67 -3.72 0.20 -0.67 2.88 -1.26 -4.90 113.62 103.48 2kkv n SER 24 Ca 0.03 0.15 0.06 0.00 -1.33 0.00 0.00 58.87 57.77 2kkv n SER 24 Cb 0.13 -2.27 0.41 0.00 -0.75 0.00 0.00 64.21 61.73 2kkv n SER 24 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2kkv h GLU 25 N 0.00 0.00 -0.95 -1.46 4.11 -2.01 -2.94 114.58 111.33 2kkv h GLU 25 Ca -0.18 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.30 2kkv h GLU 25 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2kkv h GLU 25 CO 0.25 0.34 0.62 0.38 0.07 0.00 0.00 179.01 180.67 2kkv h ASP 26 N 0.00 0.99 0.93 3.06 2.03 -1.99 -2.14 116.42 119.31 2kkv h ASP 26 Ca -0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.15 2kkv h ASP 26 Cb 0.74 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 2kkv h ASP 26 CO 0.04 0.65 -0.68 -0.74 -1.03 0.00 0.00 179.24 177.48 2kkv h HIS 27 N 1.14 0.00 0.00 4.15 2.76 -1.93 -3.29 115.15 117.97 2kkv h HIS 27 Ca 0.40 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.56 2kkv h HIS 27 Cb 0.12 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 2kkv h HIS 27 CO -0.00 0.68 -0.05 0.00 -1.30 0.00 0.00 177.93 177.27 2kkv h ARG 28 N 0.00 0.00 -0.43 5.26 2.47 -1.40 -2.34 114.38 117.94 2kkv h ARG 28 Ca -0.01 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2kkv h ARG 28 Cb 1.33 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.60 2kkv h ARG 28 CO 0.09 0.05 0.10 1.03 0.56 0.00 0.00 179.97 181.80 2kkv h SER 29 N 0.00 0.05 0.18 7.04 0.87 -1.65 0.28 113.55 120.32 2kkv h SER 29 Ca -0.00 0.07 -0.29 0.00 -1.23 0.00 0.00 61.79 60.34 2kkv h SER 29 Cb 0.17 0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2kkv h SER 29 CO 0.01 0.06 -1.35 -0.09 -0.53 0.00 0.00 176.83 174.93 2kkv h ARG 30 N 0.24 0.38 -0.05 2.24 2.43 -1.72 -3.33 114.38 114.58 2kkv h ARG 30 Ca 0.21 -0.65 0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2kkv h ARG 30 Cb 0.24 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2kkv h ARG 30 CO -0.25 1.31 0.11 0.28 -1.51 0.00 0.00 179.97 179.91 2kkv h VAL 31 N -0.10 0.20 -0.91 0.20 2.07 -1.24 -2.56 116.25 113.91 2kkv h VAL 31 Ca -0.26 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.45 2kkv h VAL 31 Cb 1.92 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 32.48 2kkv h VAL 31 CO 0.17 0.00 0.48 0.25 0.02 0.00 0.00 177.57 178.49 2kkv h LEU 32 N 0.00 0.54 -0.21 2.57 5.85 -1.05 0.11 115.31 123.12 2kkv h LEU 32 Ca 0.02 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2kkv h LEU 32 Cb 0.25 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2kkv h LEU 32 CO -0.00 0.16 0.06 0.03 -0.34 0.00 0.00 178.44 178.35 2kkv h ARG 33 N 0.59 0.15 -0.34 1.25 3.08 -1.72 0.75 114.38 118.15 2kkv h ARG 33 Ca 0.53 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.46 2kkv h ARG 33 Cb 0.86 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2kkv h ARG 33 CO -0.42 0.10 -0.26 -0.92 -1.07 0.00 0.00 179.97 177.40 2kkv h TYR 34 N 0.15 0.78 0.53 3.04 3.20 -1.37 -3.04 116.97 120.27 2kkv h TYR 34 Ca 0.09 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 2kkv h TYR 34 Cb 0.07 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.16 2kkv h TYR 34 CO -0.13 0.88 -0.26 1.25 -1.64 0.00 0.00 178.16 178.26 2kkv h LEU 35 N 0.60 -0.61 -1.05 2.82 7.12 -0.37 -2.89 115.31 120.93 2kkv h LEU 35 Ca 0.08 -0.05 0.14 0.00 0.13 0.00 0.00 57.88 58.18 2kkv h LEU 35 Cb 0.75 0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 40.95 2kkv h LEU 35 CO 0.06 -0.22 0.62 -0.33 -0.13 0.00 0.00 178.44 178.44 2kkv h GLU 36 N -1.07 0.88 -0.55 1.25 4.39 -0.93 0.23 114.58 118.78 2kkv h GLU 36 Ca -0.07 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 2kkv h GLU 36 Cb 0.62 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2kkv h GLU 36 CO 0.12 0.58 -0.02 1.25 -1.16 0.00 0.00 179.01 179.78 2kkv h LEU 37 N 0.90 0.95 0.00 1.33 5.85 -1.56 -2.25 115.31 120.54 2kkv h LEU 37 Ca 0.51 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2kkv h LEU 37 Cb 0.61 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2kkv h LEU 37 CO -0.28 1.02 -1.58 -1.22 -0.34 0.00 0.00 178.44 176.04 2kkv n TYR 38 N -4.18 0.53 0.04 1.25 4.02 -0.47 -3.37 117.16 114.99 2kkv n TYR 38 Ca 0.03 0.16 -0.09 0.00 -0.01 0.00 0.00 57.90 57.99 2kkv n TYR 38 Cb 0.35 -0.82 -0.13 0.00 -0.02 0.00 0.00 39.34 38.72 2kkv n TYR 38 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 2kkv h ILE 39 N 0.00 1.46 -2.26 -0.72 6.09 -0.63 -3.37 117.51 118.08 2kkv h ILE 39 Ca -0.08 -3.19 -0.60 0.00 -1.37 0.00 0.00 64.86 59.62 2kkv h ILE 39 Cb 1.23 2.75 -0.42 0.00 0.47 0.00 0.00 36.82 40.85 2kkv h ILE 39 CO 0.01 0.85 -0.65 0.49 -3.07 0.00 0.00 178.15 175.78 2kkv n PHE 40 N -3.30 3.16 -0.06 2.19 3.72 -0.85 -4.92 117.46 117.39 2kkv n PHE 40 Ca -0.06 -4.10 -0.07 0.00 -0.05 0.00 0.00 57.45 53.17 2kkv n PHE 40 Cb 0.98 -0.53 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 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 4.28 0.00 -0.02 -1.08 0.14 -1.73 -3.15 132.00 130.44 2kkv h PRO 41 Ca 0.18 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.32 2kkv h PRO 41 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.83 2kkv h PRO 41 CO 0.78 0.46 -0.22 1.58 0.14 0.00 0.00 178.00 180.74 2kkv n HIS 42 N -4.68 0.00 -0.43 1.56 -0.00 -1.26 -4.25 115.22 106.16 2kkv n HIS 42 Ca -0.07 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.14 2kkv n HIS 42 Cb 0.26 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.17 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2kkv n ILE 43 N 0.57 1.18 1.80 3.57 -5.35 -1.26 -4.69 119.36 115.18 2kkv n ILE 43 Ca 0.10 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.29 2kkv n ILE 43 Cb 0.48 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kkv n GLY 44 N -0.74 -0.71 0.85 3.28 0.00 -1.19 -2.99 105.19 103.69 2kkv n GLY 44 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2kkv n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkv n SER 45 N -0.45 3.22 -4.53 1.61 7.64 -1.26 -4.99 113.62 114.86 2kkv n SER 45 Ca 0.00 -1.99 -0.25 0.00 1.01 0.00 0.00 58.87 57.63 2kkv n SER 45 Cb 0.02 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.00 3.99 0.48 6.43 0.01 -1.16 -5.14 113.70 117.30 2kkv s SER 46 Ca 0.31 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 2kkv s SER 46 Cb 0.16 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 2kkv s SER 46 CO 0.21 0.06 0.76 -0.62 0.41 0.00 0.00 173.24 174.06 2kkv s ASP 47 N -3.19 6.09 0.51 2.44 2.15 -1.26 -4.98 116.67 118.42 2kkv s ASP 47 Ca 0.27 0.75 0.23 0.00 0.43 0.00 0.00 52.55 54.23 2kkv s ASP 47 Cb -0.07 -2.03 1.35 0.00 -0.30 0.00 0.00 42.92 41.86 2kkv s ASP 47 CO 0.15 -0.64 2.07 -0.29 -0.17 0.00 0.00 175.17 176.29 2kkv h ILE 48 N 0.24 0.76 -0.21 4.11 2.10 -1.97 -0.38 117.51 122.17 2kkv h ILE 48 Ca -0.47 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 64.98 2kkv h ILE 48 Cb 1.22 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2kkv h ILE 48 CO 0.61 0.12 0.00 0.54 -1.08 0.00 0.00 178.15 178.34 2kkv n ARG 49 N -3.91 1.58 -3.20 2.19 1.74 -1.26 -4.18 116.66 109.62 2kkv n ARG 49 Ca -0.02 -0.89 -0.23 0.00 -0.77 0.00 0.00 57.85 55.93 2kkv n ARG 49 Cb 0.22 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.32 2kkv n ARG 49 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2kkv n GLN 50 N 0.18 0.62 -3.33 5.56 -0.06 -0.15 -4.94 117.38 115.25 2kkv n GLN 50 Ca 0.12 -3.12 -0.23 0.00 -2.00 0.00 0.00 57.00 51.77 2kkv n GLN 50 Cb 0.24 -1.31 -0.00 0.00 -4.06 0.00 0.00 30.24 25.10 2kkv n GLN 50 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2kkv s LEU 51 N -0.91 3.93 0.45 1.69 2.01 -1.25 -4.31 118.68 120.29 2kkv s LEU 51 Ca 0.34 0.27 0.03 0.00 0.01 0.00 0.00 54.13 54.79 2kkv s LEU 51 Cb 0.15 -3.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.18 2kkv s LEU 51 CO -0.13 -0.41 0.04 -0.54 1.01 0.00 0.00 176.35 176.32 2kkv s LYS 52 N -4.34 2.05 0.00 1.70 1.02 -1.26 -4.80 119.74 114.11 2kkv s LYS 52 Ca 0.43 -2.26 0.00 0.00 0.02 0.00 0.00 55.97 54.15 2kkv s LYS 52 Cb -0.10 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 2kkv s LYS 52 CO 0.35 -0.34 0.00 2.41 -0.92 0.00 0.00 175.35 176.85 2kkv n THR 53 N -1.08 0.00 0.74 2.17 -1.04 -1.25 -4.13 114.28 109.69 2kkv n THR 53 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2kkv n THR 53 Cb 0.66 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kkv n SER 54 N -1.54 0.31 0.14 8.00 7.64 -1.26 -2.73 113.62 124.18 2kkv n SER 54 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2kkv n SER 54 Cb 0.00 -0.15 0.17 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.28 0.00 0.00 1.43 -0.00 -1.98 -2.70 115.15 112.19 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2kkv h HIS 55 CO 0.00 0.59 0.00 1.47 -0.00 0.00 0.00 177.93 179.99 2kkv n LEU 56 N -3.62 0.54 0.20 2.43 -0.00 -1.10 -2.69 117.00 112.76 2kkv n LEU 56 Ca -0.00 0.62 0.14 0.00 -0.00 0.00 0.00 56.01 56.77 2kkv n LEU 56 Cb 0.63 -0.53 0.51 0.00 -0.00 0.00 0.00 43.42 44.04 2kkv n LEU 56 CO 0.41 -0.45 0.91 0.25 -0.00 0.00 0.00 177.39 178.51 2kkv h LEU 57 N 0.00 0.00 -0.09 1.47 5.85 -1.73 -3.34 115.31 117.48 2kkv h LEU 57 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2kkv h LEU 57 Cb 0.39 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2kkv h LEU 57 CO 0.00 0.00 -0.21 0.00 -0.34 0.00 0.00 178.44 177.89 2kkv h ALA 58 N 2.16 -0.21 0.00 1.25 0.00 -1.68 -0.84 119.26 119.94 2kkv h ALA 58 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kkv h ALA 58 Cb 0.56 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2kkv h ALA 58 CO 0.00 -0.68 -0.15 -1.00 0.00 0.00 0.00 179.25 177.41 2kkv h PRO 59 N -0.29 0.00 0.00 0.00 0.13 -1.84 -1.35 132.00 128.65 2kkv h PRO 59 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2kkv h PRO 59 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2kkv h PRO 59 CO -0.26 0.15 -0.27 0.82 -0.23 0.00 0.00 178.00 178.21 2kkv h ILE 60 N 0.00 0.67 0.00 -3.56 1.08 -1.47 -2.40 117.51 111.84 2kkv h ILE 60 Ca -0.00 -1.22 -0.05 0.00 -0.39 0.00 0.00 64.86 63.20 2kkv h ILE 60 Cb 0.30 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 2kkv h ILE 60 CO 0.02 0.27 -0.22 0.50 -0.69 0.00 0.00 178.15 178.03 2kkv h LYS 61 N 0.00 0.00 -0.25 2.37 3.11 -0.00 -3.02 116.57 118.78 2kkv h LYS 61 Ca -0.00 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2kkv h LYS 61 Cb 0.77 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.98 2kkv h LYS 61 CO 0.04 0.22 0.09 1.49 -2.81 0.00 0.00 179.45 178.47 2kkv h GLU 62 N 0.00 0.20 0.00 1.90 4.57 -1.40 -0.58 114.58 119.27 2kkv h GLU 62 Ca -0.00 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2kkv h GLU 62 Cb 0.67 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2kkv h GLU 62 CO 0.03 0.13 -0.51 -0.24 -1.18 0.00 0.00 179.01 177.24 2kkv h VAL 63 N 0.21 1.23 -0.80 0.32 3.04 -1.68 -2.51 116.25 116.06 2kkv h VAL 63 Ca 0.11 -1.82 0.06 0.00 -1.01 0.00 0.00 66.70 64.03 2kkv h VAL 63 Cb 0.07 2.02 -0.06 0.00 -2.01 0.00 0.00 31.29 31.31 2kkv h VAL 63 CO -0.10 0.50 0.49 -0.78 -1.01 0.00 0.00 177.57 176.67 2kkv h ASP 64 N 0.00 0.77 0.51 3.17 1.82 -1.24 -2.20 116.42 119.24 2kkv h ASP 64 Ca -0.01 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 2kkv h ASP 64 Cb 0.98 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 2kkv h ASP 64 CO 0.07 0.50 -0.16 0.74 -1.61 0.00 0.00 179.24 178.77 2kkv h THR 65 N 0.90 0.60 0.00 2.25 2.02 -0.67 -2.55 112.91 115.47 2kkv h THR 65 Ca 0.35 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2kkv h THR 65 Cb 0.16 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2kkv h THR 65 CO -0.17 0.16 0.00 -1.20 0.37 0.00 0.00 175.52 174.68 2kkv n SER 66 N -3.60 0.00 0.00 4.18 7.64 -0.83 -4.80 113.62 116.21 2kkv n SER 66 Ca -0.01 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kkv n SER 66 Cb 0.30 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2kkv n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkv n GLY 67 N 0.27 0.63 2.04 0.23 0.00 -0.96 -4.90 105.19 102.49 2kkv n GLY 67 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2kkv n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kkv n LYS 68 N -2.00 3.15 0.09 1.61 4.76 -1.23 -4.70 118.16 119.84 2kkv n LYS 68 Ca 0.00 -2.90 0.20 0.00 -2.87 0.00 0.00 58.31 52.74 2kkv n LYS 68 Cb 0.00 -2.16 0.70 0.00 -1.84 0.00 0.00 35.03 31.73 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2kkv h HIS 69 N 2.03 0.00 -0.16 2.13 2.07 -1.67 0.29 115.15 119.83 2kkv h HIS 69 Ca 0.38 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.84 2kkv h HIS 69 Cb 2.45 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.42 2kkv h HIS 69 CO 1.34 0.00 -0.15 0.22 -3.07 0.00 0.00 177.93 176.26 2kkv h ASP 70 N 0.00 0.25 0.04 3.10 1.82 -1.91 -2.55 116.42 117.17 2kkv h ASP 70 Ca 0.20 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.71 2kkv h ASP 70 Cb 1.27 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 2kkv h ASP 70 CO -0.00 0.43 -0.21 -0.37 -1.61 0.00 0.00 179.24 177.48 2kkv h VAL 71 N 0.25 1.23 -0.88 2.25 -1.51 -1.33 -2.55 116.25 113.72 2kkv h VAL 71 Ca 0.05 -1.05 0.05 0.00 -1.23 0.00 0.00 66.70 64.52 2kkv h VAL 71 Cb 0.43 1.32 -0.06 0.00 -2.13 0.00 0.00 31.29 30.85 2kkv h VAL 71 CO 0.03 0.33 0.56 0.00 -1.23 0.00 0.00 177.57 177.25 2kkv h ALA 72 N 1.51 1.19 -0.44 5.19 0.00 -1.59 0.16 119.26 125.27 2kkv h ALA 72 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kkv h ALA 72 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kkv h ALA 72 CO 0.04 0.35 0.13 1.96 0.00 0.00 0.00 179.25 181.73 2kkv h GLN 73 N 1.04 0.69 -0.44 0.00 1.08 -1.53 0.87 115.11 116.82 2kkv h GLN 73 Ca 0.37 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 2kkv h GLN 73 Cb 0.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2kkv h GLN 73 CO -0.15 0.67 0.24 0.00 -0.95 0.00 0.00 178.83 178.64 2kkv h ARG 74 N 0.58 0.60 0.04 1.46 2.47 -1.02 -2.39 114.38 116.11 2kkv h ARG 74 Ca 0.14 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2kkv h ARG 74 Cb 0.27 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2kkv h ARG 74 CO -0.00 0.45 -0.02 -0.07 0.56 0.00 0.00 179.97 180.88 2kkv h LEU 75 N 0.61 -0.04 -1.19 3.04 3.38 -0.28 -3.34 115.31 117.49 2kkv h LEU 75 Ca 0.16 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.57 2kkv h LEU 75 Cb 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2kkv h LEU 75 CO -0.03 0.61 0.56 0.06 0.09 0.00 0.00 178.44 179.73 2kkv h GLN 76 N -0.73 1.02 -0.55 1.13 3.07 -0.71 -2.04 115.11 116.31 2kkv h GLN 76 Ca -0.01 -0.06 0.16 0.00 0.09 0.00 0.00 58.65 58.83 2kkv h GLN 76 Cb 0.64 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 27.95 2kkv h GLN 76 CO 0.01 0.67 0.46 1.96 0.09 0.00 0.00 178.83 182.02 2kkv h GLN 77 N 1.05 0.00 0.31 0.06 4.20 -1.55 -0.90 115.11 118.28 2kkv h GLN 77 Ca 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 2kkv h GLN 77 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2kkv h GLN 77 CO -0.10 0.00 -0.15 -0.09 -0.67 0.00 0.00 178.83 177.82 2kkv h ARG 78 N 0.00 -0.40 -0.19 1.46 2.43 -1.53 -1.27 114.38 114.88 2kkv h ARG 78 Ca 0.26 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.31 2kkv h ARG 78 Cb 1.17 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2kkv h ARG 78 CO -0.00 -0.12 -0.48 -0.24 -1.51 0.00 0.00 179.97 177.62 2kkv h VAL 79 N -0.64 1.32 -0.31 0.20 3.04 -1.35 -0.33 116.25 118.17 2kkv h VAL 79 Ca -0.04 -1.69 -0.03 0.00 -1.01 0.00 0.00 66.70 63.94 2kkv h VAL 79 Cb 0.45 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2kkv h VAL 79 CO 0.07 0.52 0.09 0.74 -1.01 0.00 0.00 177.57 177.98 2kkv h THR 80 N 0.40 1.21 0.00 3.17 2.02 -1.27 -0.76 112.91 117.68 2kkv h THR 80 Ca 0.02 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2kkv h THR 80 Cb 0.98 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2kkv h THR 80 CO 0.09 0.23 -0.00 0.00 0.37 0.00 0.00 175.52 176.20 2kkv h ALA 81 N 0.92 -0.00 -0.95 6.16 0.00 -1.08 -3.02 119.26 121.30 2kkv h ALA 81 Ca 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kkv h ALA 81 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2kkv h ALA 81 CO -0.00 -0.28 0.63 0.82 0.00 0.00 0.00 179.25 180.41 2kkv h ILE 82 N -0.44 1.25 0.00 0.00 2.04 -1.07 -1.51 117.51 117.77 2kkv h ILE 82 Ca -0.00 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2kkv h ILE 82 Cb 0.44 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2kkv h ILE 82 CO 0.00 0.24 -0.09 -0.03 0.00 0.00 0.00 178.15 178.26 2kkv h MET 83 N 1.29 0.00 -0.45 2.37 4.05 -1.15 0.17 114.93 121.21 2kkv h MET 83 Ca 0.35 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.63 2kkv h MET 83 Cb -0.14 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 2kkv h MET 83 CO -0.07 0.09 -0.27 0.00 0.23 0.00 0.00 176.91 176.89 2kkv h ARG 84 N 0.00 0.98 -0.21 0.39 2.47 -1.14 -0.05 114.38 116.82 2kkv h ARG 84 Ca -0.00 -0.45 -0.11 0.00 -1.26 0.00 0.00 59.98 58.16 2kkv h ARG 84 Cb 0.18 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2kkv h ARG 84 CO 0.01 1.12 -0.33 1.88 0.56 0.00 0.00 179.97 183.22 2kkv h TYR 85 N 0.83 0.49 -0.87 3.04 0.05 -1.02 -0.75 116.97 118.74 2kkv h TYR 85 Ca 0.09 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2kkv h TYR 85 Cb 0.86 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 2kkv h TYR 85 CO 0.06 0.71 0.44 0.00 -1.05 0.00 0.00 178.16 178.32 2kkv h ALA 86 N 1.29 1.15 -0.04 3.88 0.00 -0.27 0.26 119.26 125.53 2kkv h ALA 86 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2kkv h ALA 86 Cb 0.76 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kkv h ALA 86 CO 0.06 0.66 -0.81 0.28 0.00 0.00 0.00 179.25 179.44 2kkv h VAL 87 N 1.22 1.42 0.00 0.00 2.07 -0.81 -0.81 116.25 119.35 2kkv h VAL 87 Ca 0.30 -2.33 -0.09 0.00 0.82 0.00 0.00 66.70 65.40 2kkv h VAL 87 Cb 0.07 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2kkv h VAL 87 CO -0.04 0.69 -0.44 -0.61 0.02 0.00 0.00 177.57 177.19 2kkv h GLN 88 N 0.21 0.00 -0.01 1.57 4.15 -0.57 -1.00 115.11 119.46 2kkv h GLN 88 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2kkv h GLN 88 Cb 1.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.10 2kkv h GLN 88 CO 0.13 0.44 -0.28 0.09 -1.93 0.00 0.00 178.83 177.28 2kkv n ASN 89 N -3.74 0.90 -2.62 -0.69 5.03 0.85 -4.96 115.26 110.02 2kkv n ASN 89 Ca -0.01 -0.76 -0.19 0.00 0.87 0.00 0.00 54.58 54.49 2kkv n ASN 89 Cb 0.51 0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.40 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kkv n ASP 90 N -0.81 -5.31 -0.70 6.41 8.00 -0.34 -4.84 116.55 118.96 2kkv n ASP 90 Ca 0.11 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.68 2kkv n ASP 90 Cb 0.34 -4.40 0.12 0.00 -0.02 0.00 0.00 41.12 37.16 2kkv n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkv n TYR 91 N -3.97 0.00 0.03 1.24 0.18 -1.00 -3.94 117.16 109.71 2kkv n TYR 91 Ca -0.18 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.64 2kkv n TYR 91 Cb 0.64 -0.01 -0.05 0.00 -0.38 0.00 0.00 39.34 39.55 2kkv n TYR 91 CO 0.00 0.00 0.00 0.44 -2.08 0.00 0.00 176.86 175.22 2kkv n ILE 92 N 0.60 0.00 0.00 -3.48 -5.35 -1.25 -4.92 119.36 104.97 2kkv n ILE 92 Ca 0.13 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2kkv n ILE 92 Cb 0.51 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 2kkv n ILE 92 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kkv n ASP 93 N -1.64 0.00 -4.70 7.28 2.03 -1.25 -4.82 116.55 113.44 2kkv n ASP 93 Ca -0.01 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.07 2kkv n ASP 93 Cb 0.15 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.00 4.38 -0.53 1.67 0.15 -1.26 -5.01 113.70 113.10 2kkv s SER 94 Ca 0.00 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.23 2kkv s SER 94 Cb 0.00 0.09 0.15 0.00 -1.71 0.00 0.00 66.02 64.55 2kkv s SER 94 CO 0.00 -1.84 0.32 0.21 1.20 0.00 0.00 173.24 173.13 2kkv s ASN 95 N -4.75 4.00 0.12 5.45 3.04 -1.26 -4.83 114.94 116.71 2kkv s ASN 95 Ca 0.66 -3.12 -0.24 0.00 0.04 0.00 0.00 52.86 50.21 2kkv s ASN 95 Cb -0.05 -1.35 -0.06 0.00 -1.54 0.00 0.00 41.25 38.25 2kkv s ASN 95 CO 0.44 -0.20 1.67 -0.65 -3.04 0.00 0.00 177.10 175.32 2kkv h PRO 96 N 6.21 -0.25 -3.67 0.43 0.11 -1.87 -3.30 132.00 129.66 2kkv h PRO 96 Ca 0.03 0.02 -0.79 0.00 0.11 0.00 0.00 66.00 65.37 2kkv h PRO 96 Cb 0.87 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 31.76 2kkv h PRO 96 CO 0.60 -0.17 0.26 0.00 -0.21 0.00 0.00 178.00 178.49 2kkv s ALA 97 N -6.13 4.42 -0.15 -0.75 0.00 -1.26 -3.86 121.76 114.04 2kkv s ALA 97 Ca -0.15 -3.61 0.20 0.00 0.00 0.00 0.00 51.96 48.40 2kkv s ALA 97 Cb 0.09 -3.50 0.38 0.00 0.00 0.00 0.00 23.12 20.09 2kkv s ALA 97 CO 0.67 -2.23 1.59 1.03 0.00 0.00 0.00 175.76 176.82 2kkv h SER 98 N 7.12 0.00 0.00 0.00 0.87 -1.96 -3.41 113.55 116.17 2kkv h SER 98 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2kkv h SER 98 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2kkv h SER 98 CO 0.89 0.29 0.00 -0.67 -0.53 0.00 0.00 176.83 176.81 2kkv n ASP 99 N -3.23 0.32 -2.81 6.23 2.03 -1.26 -5.09 116.55 112.74 2kkv n ASP 99 Ca 0.02 0.08 -0.04 0.00 0.52 0.00 0.00 54.79 55.37 2kkv n ASP 99 Cb 0.60 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2kkv n ASP 99 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2kkv n MET 100 N -2.86 -2.95 -3.56 -0.67 0.00 -1.26 -4.15 117.12 101.67 2kkv n MET 100 Ca 0.00 2.45 -0.21 0.00 -0.00 0.00 0.00 57.70 59.94 2kkv n MET 100 Cb 0.00 -5.19 0.08 0.00 0.00 0.00 0.00 33.22 28.11 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kkv n ALA 101 N 0.38 -1.70 -2.28 -5.12 0.00 -1.26 -4.94 120.51 105.58 2kkv n ALA 101 Ca 0.04 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2kkv n ALA 101 Cb 0.20 -3.67 -0.03 0.00 0.00 0.00 0.00 19.45 15.95 2kkv n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kkv s GLY 102 N -3.90 2.39 -0.14 0.00 0.00 -1.26 -4.48 107.32 99.93 2kkv s GLY 102 Ca 0.27 0.93 -0.08 0.00 0.00 0.00 0.00 44.72 45.84 2kkv s GLY 102 CO 0.75 2.05 0.15 0.00 0.00 0.00 0.00 173.10 176.05 2kkv n ALA 103 N 3.59 -3.49 -0.05 3.20 0.00 -1.26 -5.01 120.51 117.49 2kkv n ALA 103 Ca 0.08 1.53 -0.02 0.00 0.00 0.00 0.00 53.44 55.03 2kkv n ALA 103 Cb 0.45 -2.99 -0.02 0.00 0.00 0.00 0.00 19.45 16.89 2kkv n ALA 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kkv h LEU 104 N 2.70 0.00 0.00 0.00 7.12 -2.02 -3.49 115.31 119.63 2kkv h LEU 104 Ca -0.35 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.52 2kkv h LEU 104 Cb 0.79 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 2kkv h LEU 104 CO 0.01 0.58 0.00 -0.24 -0.13 0.00 0.00 178.44 178.67 2kkv n SER 105 N -4.75 0.00 -4.38 1.25 2.88 -1.26 -5.07 113.62 102.29 2kkv n SER 105 Ca -0.02 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.07 2kkv n SER 105 Cb 0.08 0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kkv s THR 106 N -0.69 4.98 0.24 2.46 -4.23 -1.26 -5.04 115.64 112.09 2kkv s THR 106 Ca 0.00 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.22 2kkv s THR 106 Cb 0.00 -4.36 -0.09 0.00 1.34 0.00 0.00 72.50 69.39 2kkv s THR 106 CO 0.00 -0.92 1.01 0.42 -0.54 0.00 0.00 174.62 174.59 2kkv s THR 107 N 2.29 3.89 0.00 3.99 -4.23 -1.26 -5.06 115.64 115.26 2kkv s THR 107 Ca 0.09 1.85 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 2kkv s THR 107 Cb -0.24 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.42 2kkv s THR 107 CO 0.07 0.42 0.00 1.17 -0.54 0.00 0.00 174.62 175.74 2kkv n LYS 108 N 1.56 0.92 -0.13 3.99 3.00 -1.26 -5.06 118.16 121.18 2kkv n LYS 108 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.10 2kkv n LYS 108 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.38 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kkv n ALA 109 N -3.00 1.40 -3.14 3.14 0.00 -1.26 -5.05 120.51 112.60 2kkv n ALA 109 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.23 2kkv n ALA 109 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.40 2kkv n ALA 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kkv n ARG 110 N -3.41 -1.75 -2.93 0.00 3.00 -1.26 -4.92 116.66 105.38 2kkv n ARG 110 Ca -0.47 1.58 -0.43 0.00 -0.00 0.00 0.00 57.85 58.53 2kkv n ARG 110 Cb 0.97 -4.87 -0.05 0.00 0.00 0.00 0.00 32.46 28.51 2kkv n ARG 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2kkv s HIS 111 N -2.72 2.99 -0.34 -0.14 5.65 -1.26 -4.28 115.29 115.19 2kkv s HIS 111 Ca 0.12 0.26 -0.09 0.00 0.25 0.00 0.00 55.06 55.60 2kkv s HIS 111 Cb -0.03 -3.69 0.01 0.00 -1.18 0.00 0.00 32.58 27.69 2kkv s HIS 111 CO 0.79 -0.98 0.33 0.98 -0.65 0.00 0.00 174.74 175.21 2kkv n TYR 112 N 6.78 -3.24 -1.96 3.88 9.36 -1.26 -4.99 117.16 125.72 2kkv n TYR 112 Ca 0.03 1.36 -0.33 0.00 3.32 0.00 0.00 57.90 62.28 2kkv n TYR 112 Cb 0.48 -3.76 0.02 0.00 -0.63 0.00 0.00 39.34 35.46 2kkv n TYR 112 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2kkv s PRO 113 N -2.05 3.19 -0.00 2.98 0.04 -1.26 -4.97 135.00 132.92 2kkv s PRO 113 Ca 0.14 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2kkv s PRO 113 Cb -0.04 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2kkv s PRO 113 CO 0.68 -0.92 0.18 -0.11 0.04 0.00 0.00 177.00 176.88 2kkv n LEU 114 N -2.17 0.14 -1.74 -3.56 7.94 -1.26 -4.76 117.00 111.59 2kkv n LEU 114 Ca 0.09 -0.27 -0.02 0.00 -1.11 0.00 0.00 56.01 54.70 2kkv n LEU 114 Cb 0.53 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 2kkv n LEU 114 CO 0.48 0.03 0.95 -0.62 -1.11 0.00 0.00 177.39 177.12 2kkv n GLU 115 N -1.40 1.00 0.00 1.96 4.71 -1.26 -2.99 120.64 122.66 2kkv n GLU 115 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 2kkv n GLU 115 Cb 0.12 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 2kkv n GLU 115 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2kkv n HIS 116 N 1.87 0.00 -3.68 -0.32 8.25 -1.26 -5.02 115.22 115.06 2kkv n HIS 116 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 2kkv n HIS 116 Cb 0.48 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 2kkv n HIS 116 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kkv s HIS 117 N -0.37 -0.39 -0.21 4.41 -3.43 -1.16 -5.13 115.29 109.01 2kkv s HIS 117 Ca 0.00 0.91 -0.07 0.00 -0.80 0.00 0.00 55.06 55.10 2kkv s HIS 117 Cb 0.00 -0.03 0.10 0.00 -1.43 0.00 0.00 32.58 31.21 2kkv s HIS 117 CO 0.00 -0.32 0.44 -1.58 -2.00 0.00 0.00 174.74 171.28 2kkv s HIS 118 N 2.15 -0.86 -0.30 0.38 5.04 -1.26 -5.07 115.29 115.37 2kkv s HIS 118 Ca -0.01 1.60 -0.01 0.00 -1.54 0.00 0.00 55.06 55.09 2kkv s HIS 118 Cb -0.12 0.35 0.19 0.00 0.04 0.00 0.00 32.58 33.05 2kkv s HIS 118 CO -0.08 -0.51 0.66 -3.38 -2.34 0.00 0.00 174.74 169.09 2kkv s HIS 119 N 2.64 -1.52 -0.30 3.88 -3.43 -1.26 -5.14 115.29 110.17 2kkv s HIS 119 Ca -0.02 1.45 -0.17 0.00 -0.80 0.00 0.00 55.06 55.52 2kkv s HIS 119 Cb -0.12 0.47 0.19 0.00 -1.43 0.00 0.00 32.58 31.69 2kkv s HIS 119 CO -0.13 -0.84 1.20 -1.58 -2.00 0.00 0.00 174.74 171.38 2kkv s HIS 120 N 2.87 -0.22 -1.62 0.38 5.04 -1.26 -5.34 115.29 115.14 2kkv s HIS 120 Ca 0.17 0.40 0.13 0.00 -1.54 0.00 0.00 55.06 54.22 2kkv s HIS 120 Cb -0.13 0.13 0.10 0.00 0.04 0.00 0.00 32.58 32.72 2kkv s HIS 120 CO -0.21 -0.11 0.91 1.58 -2.34 0.00 0.00 174.74 174.57