#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 -0.06 -6.25 0.03 4.81 -2.08 -3.42 114.58 107.60 2kkv h GLU 2 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.68 2kkv h GLU 2 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2kkv h GLU 2 CO 0.00 0.50 1.10 1.21 -0.73 0.00 0.00 179.01 181.09 2kkv s ASN 3 N -5.72 6.56 0.00 1.04 3.84 -1.26 -4.80 114.94 114.60 2kkv s ASN 3 Ca -0.16 1.96 0.00 0.00 0.21 0.00 0.00 52.86 54.88 2kkv s ASN 3 Cb 0.01 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2kkv s ASN 3 CO 0.63 -1.06 0.20 -0.24 -2.79 0.00 0.00 177.10 173.83 2kkv n SER 4 N 7.68 0.39 -4.05 -4.21 2.88 -1.26 -5.07 113.62 109.97 2kkv n SER 4 Ca 0.18 -0.72 -0.12 0.00 -1.33 0.00 0.00 58.87 56.88 2kkv n SER 4 Cb 0.44 0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 64.09 2kkv n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kkv s GLY 5 N -0.30 0.47 -0.17 0.46 0.00 -1.26 -4.99 107.32 101.53 2kkv s GLY 5 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 2kkv s GLY 5 CO 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 173.10 172.27 2kkv n ALA 6 N 1.34 -3.30 -3.17 3.20 0.00 -1.26 -4.95 120.51 112.37 2kkv n ALA 6 Ca -0.22 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.17 2kkv n ALA 6 Cb 0.55 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 0.46 3.74 -2.83 0.00 4.11 -1.26 -4.93 117.16 116.45 2kkv n TYR 7 Ca -0.02 -3.24 -0.23 0.00 -0.00 0.00 0.00 57.90 54.41 2kkv n TYR 7 Cb 0.03 -1.47 0.02 0.00 -0.00 0.00 0.00 39.34 37.92 2kkv n TYR 7 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2kkv s THR 8 N -2.07 3.73 0.33 -3.48 -4.23 -1.26 -2.55 115.64 106.12 2kkv s THR 8 Ca 0.31 -0.43 0.26 0.00 -1.18 0.00 0.00 61.69 60.65 2kkv s THR 8 Cb -0.02 -3.40 0.27 0.00 1.34 0.00 0.00 72.50 70.69 2kkv s THR 8 CO 0.02 -0.31 2.00 2.19 -0.54 0.00 0.00 174.62 177.98 2kkv h PHE 9 N 0.24 0.00 -0.73 3.99 -0.00 -1.80 -2.55 116.94 116.10 2kkv h PHE 9 Ca -0.45 0.00 0.12 0.00 -0.00 0.00 0.00 57.97 57.64 2kkv h PHE 9 Cb 1.26 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 37.12 2kkv h PHE 9 CO 0.44 0.16 0.31 1.49 -0.00 0.00 0.00 178.31 180.71 2kkv h GLU 10 N 0.00 0.47 -0.82 6.09 4.81 -1.89 0.30 114.58 123.54 2kkv h GLU 10 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kkv h GLU 10 Cb 0.46 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 2kkv h GLU 10 CO 0.02 0.31 0.53 1.15 -0.73 0.00 0.00 179.01 180.29 2kkv h THR 11 N 0.49 1.22 -0.39 0.32 2.02 -1.81 -1.14 112.91 113.61 2kkv h THR 11 Ca 0.38 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 2kkv h THR 11 Cb 0.52 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2kkv h THR 11 CO -0.35 0.22 -0.27 0.40 0.37 0.00 0.00 175.52 175.88 2kkv h ILE 12 N 1.12 1.27 -0.64 3.11 1.08 -1.27 -3.08 117.51 119.11 2kkv h ILE 12 Ca 0.30 -1.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.32 2kkv h ILE 12 Cb -0.10 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2kkv h ILE 12 CO -0.06 0.47 0.27 0.00 -0.69 0.00 0.00 178.15 178.14 2kkv h ALA 13 N 0.98 0.82 0.00 1.87 0.00 0.10 -2.65 119.26 120.39 2kkv h ALA 13 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2kkv h ALA 13 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kkv h ALA 13 CO 0.07 0.43 -0.23 -0.09 0.00 0.00 0.00 179.25 179.42 2kkv h ARG 14 N 0.89 0.00 0.68 0.00 1.12 -1.15 -0.93 114.38 114.98 2kkv h ARG 14 Ca 0.21 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.06 2kkv h ARG 14 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2kkv h ARG 14 CO -0.02 0.23 -0.49 1.49 -3.11 0.00 0.00 179.97 178.07 2kkv h GLU 15 N 0.00 -1.08 0.00 0.20 4.22 -1.38 -0.55 114.58 115.99 2kkv h GLU 15 Ca -0.00 0.07 -0.20 0.00 0.08 0.00 0.00 59.36 59.31 2kkv h GLU 15 Cb 0.43 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2kkv h GLU 15 CO 0.03 -0.72 -0.94 0.11 -2.18 0.00 0.00 179.01 175.31 2kkv h TRP 16 N -1.12 0.00 0.00 0.92 5.08 -1.63 -3.29 115.95 115.92 2kkv h TRP 16 Ca -0.09 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.81 2kkv h TRP 16 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 2kkv h TRP 16 CO -0.16 0.93 -0.32 1.25 -1.28 0.00 0.00 178.44 178.86 2kkv h HIS 17 N 0.00 0.00 0.00 0.12 2.76 -1.07 -2.99 115.15 113.97 2kkv h HIS 17 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kkv h HIS 17 Cb 1.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.68 2kkv h HIS 17 CO 0.00 0.32 0.00 -1.91 -1.30 0.00 0.00 177.93 175.04 2kkv n GLU 18 N -3.96 0.16 0.22 5.26 2.13 -0.22 -2.20 120.64 122.03 2kkv n GLU 18 Ca -0.02 0.14 0.08 0.00 0.66 0.00 0.00 57.16 58.03 2kkv n GLU 18 Cb 0.38 -1.50 0.49 0.00 0.27 0.00 0.00 31.44 31.08 2kkv n GLU 18 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2kkv h SER 19 N 0.00 0.00 -3.18 4.31 0.87 -1.73 -3.46 113.55 110.36 2kkv h SER 19 Ca 0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 2kkv h SER 19 Cb 0.23 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 2kkv h SER 19 CO 0.00 0.26 -0.21 0.59 -0.53 0.00 0.00 176.83 176.94 2kkv n ASN 20 N -3.62 -4.55 -0.09 6.23 5.03 -0.93 -4.51 115.26 112.82 2kkv n ASN 20 Ca -0.01 0.63 -0.17 0.00 0.87 0.00 0.00 54.58 55.90 2kkv n ASN 20 Cb 0.39 -1.78 -0.07 0.00 -1.02 0.00 0.00 39.78 37.30 2kkv n ASN 20 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2kkv n LYS 21 N -2.37 0.42 -3.18 3.52 0.00 -1.26 -4.74 118.16 110.54 2kkv n LYS 21 Ca 0.00 0.15 -0.46 0.00 0.00 0.00 0.00 58.31 58.01 2kkv n LYS 21 Cb 0.27 -1.25 -0.02 0.00 0.00 0.00 0.00 35.03 34.03 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 -2.35 3.68 -0.74 1.64 3.00 -1.26 -4.98 118.95 117.93 2kkv s ARG 22 Ca -0.26 -2.31 -0.25 0.00 -1.00 0.00 0.00 55.73 51.91 2kkv s ARG 22 Cb 0.09 -4.62 -0.15 0.00 0.00 0.00 0.00 34.95 30.26 2kkv s ARG 22 CO 0.37 -1.46 2.46 0.91 0.00 0.00 0.00 175.30 177.58 2kkv n TRP 23 N 4.76 0.99 -3.67 5.12 8.01 -1.26 -4.86 117.44 126.52 2kkv n TRP 23 Ca 0.19 0.15 -0.12 0.00 -1.31 0.00 0.00 57.50 56.41 2kkv n TRP 23 Cb 0.47 -2.33 -0.08 0.00 -2.01 0.00 0.00 31.31 27.36 2kkv n TRP 23 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2kkv s SER 24 N 9.77 -0.64 0.41 -0.99 0.01 -1.26 -5.05 113.70 115.95 2kkv s SER 24 Ca 1.11 1.18 0.19 0.00 1.31 0.00 0.00 55.95 59.75 2kkv s SER 24 Cb -0.53 1.16 0.87 0.00 0.21 0.00 0.00 66.02 67.73 2kkv s SER 24 CO 0.32 -0.21 1.84 1.05 0.41 0.00 0.00 173.24 176.65 2kkv h GLU 25 N 5.73 0.00 -0.02 12.44 9.09 -1.96 -2.43 114.58 137.42 2kkv h GLU 25 Ca -0.29 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.00 2kkv h GLU 25 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 2kkv h GLU 25 CO 0.16 0.31 -0.54 0.38 0.05 0.00 0.00 179.01 179.38 2kkv h ASP 26 N 0.00 0.08 0.68 3.06 2.03 -1.96 -2.86 116.42 117.45 2kkv h ASP 26 Ca -0.00 -0.04 -0.10 0.00 -0.73 0.00 0.00 57.03 56.15 2kkv h ASP 26 Cb 0.71 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.17 2kkv h ASP 26 CO 0.04 0.60 -0.49 0.45 -1.03 0.00 0.00 179.24 178.82 2kkv h HIS 27 N 0.06 0.00 -0.53 4.15 3.86 -1.77 -3.18 115.15 117.74 2kkv h HIS 27 Ca -0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2kkv h HIS 27 Cb 0.98 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.40 2kkv h HIS 27 CO 0.01 0.49 0.25 0.00 0.86 0.00 0.00 177.93 179.54 2kkv h ARG 28 N 0.00 0.47 -0.30 2.45 3.08 -1.41 0.12 114.38 118.79 2kkv h ARG 28 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2kkv h ARG 28 Cb 0.96 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2kkv h ARG 28 CO 0.06 0.31 0.04 0.77 -1.07 0.00 0.00 179.97 180.08 2kkv h SER 29 N 0.49 0.41 0.01 7.04 0.02 -1.65 -0.88 113.55 118.98 2kkv h SER 29 Ca 0.24 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2kkv h SER 29 Cb 0.18 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2kkv h SER 29 CO -0.19 0.45 -0.13 -0.09 -1.14 0.00 0.00 176.83 175.73 2kkv h ARG 30 N 0.43 0.07 0.00 3.45 9.65 -1.29 -3.24 114.38 123.46 2kkv h ARG 30 Ca 0.10 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2kkv h ARG 30 Cb 0.23 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2kkv h ARG 30 CO 0.00 0.90 0.00 -0.39 2.80 0.00 0.00 179.97 183.29 2kkv h VAL 31 N -0.72 0.00 -0.18 0.20 -1.51 -0.74 -2.55 116.25 110.76 2kkv h VAL 31 Ca -0.02 -0.36 -0.03 0.00 -1.23 0.00 0.00 66.70 65.07 2kkv h VAL 31 Cb 0.95 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2kkv h VAL 31 CO 0.02 0.00 -0.00 0.25 -1.23 0.00 0.00 177.57 176.61 2kkv h LEU 32 N 0.00 0.31 -0.93 4.19 7.12 -1.18 -0.24 115.31 124.57 2kkv h LEU 32 Ca 0.00 -0.31 -0.11 0.00 0.13 0.00 0.00 57.88 57.59 2kkv h LEU 32 Cb 0.45 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 2kkv h LEU 32 CO 0.00 0.55 -0.53 -0.09 -0.13 0.00 0.00 178.44 178.24 2kkv h ARG 33 N 0.06 0.00 -0.56 1.25 1.12 -1.53 -2.32 114.38 112.40 2kkv h ARG 33 Ca 0.05 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.85 2kkv h ARG 33 Cb 0.39 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 2kkv h ARG 33 CO 0.01 0.53 0.09 -0.92 -3.11 0.00 0.00 179.97 176.57 2kkv h TYR 34 N 0.00 0.94 -0.41 2.20 3.20 -1.29 -2.74 116.97 118.87 2kkv h TYR 34 Ca -0.01 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.78 2kkv h TYR 34 Cb 0.94 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2kkv h TYR 34 CO 0.00 0.81 0.23 1.25 -1.64 0.00 0.00 178.16 178.81 2kkv h LEU 35 N 0.85 0.36 -1.57 2.82 5.85 -0.49 -0.66 115.31 122.48 2kkv h LEU 35 Ca 0.18 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2kkv h LEU 35 Cb 0.38 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2kkv h LEU 35 CO 0.01 0.26 0.39 -0.33 -0.34 0.00 0.00 178.44 178.43 2kkv h GLU 36 N 0.47 0.51 0.05 1.25 5.08 -1.18 -1.47 114.58 119.28 2kkv h GLU 36 Ca 0.17 -0.03 -0.38 0.00 -1.00 0.00 0.00 59.36 58.12 2kkv h GLU 36 Cb 0.03 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2kkv h GLU 36 CO -0.09 0.33 -2.21 1.28 -1.00 0.00 0.00 179.01 177.32 2kkv n LEU 37 N -4.48 2.69 0.01 1.33 4.77 -1.04 -4.52 117.00 115.76 2kkv n LEU 37 Ca 0.09 0.08 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2kkv n LEU 37 Cb 0.27 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2kkv n LEU 37 CO 0.34 0.84 0.04 0.00 -1.33 0.00 0.00 177.39 177.28 2kkv n TYR 38 N -3.50 0.07 -3.86 -1.77 9.36 -0.28 -4.79 117.16 112.38 2kkv n TYR 38 Ca -0.40 0.02 -0.22 0.00 3.32 0.00 0.00 57.90 60.62 2kkv n TYR 38 Cb 0.99 -0.20 -0.17 0.00 -0.63 0.00 0.00 39.34 39.32 2kkv n TYR 38 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2kkv s ILE 39 N -3.08 0.42 -0.49 2.97 1.01 -0.56 -4.87 121.20 116.60 2kkv s ILE 39 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2kkv s ILE 39 Cb 0.16 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 2kkv s ILE 39 CO 0.81 0.25 0.41 0.49 0.00 0.00 0.00 174.94 176.91 2kkv n PHE 40 N 4.86 -0.99 0.04 3.97 3.72 -1.26 -4.52 117.46 123.28 2kkv n PHE 40 Ca -0.12 0.39 -0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2kkv n PHE 40 Cb 0.50 -3.27 -0.09 0.00 -0.94 0.00 0.00 39.48 35.68 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kkv h PRO 41 N -0.67 -0.13 -0.02 -1.08 0.11 -1.86 -2.52 132.00 125.82 2kkv h PRO 41 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2kkv h PRO 41 Cb 1.14 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kkv h PRO 41 CO 0.20 0.27 -0.17 0.72 -0.21 0.00 0.00 178.00 178.81 2kkv n HIS 42 N -4.96 0.00 -0.58 0.65 8.25 -1.26 -4.53 115.22 112.79 2kkv n HIS 42 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2kkv n HIS 42 Cb 0.24 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.36 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kkv n ILE 43 N 0.62 0.71 -0.05 1.59 -5.35 -1.24 -4.75 119.36 110.89 2kkv n ILE 43 Ca 0.10 -0.75 0.10 0.00 -0.27 0.00 0.00 62.75 61.94 2kkv n ILE 43 Cb 0.46 0.58 0.28 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.41 2.01 0.70 3.28 0.00 -0.95 -4.08 105.19 105.74 2kkv n GLY 44 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.42 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kkv n SER 45 N 1.36 2.66 -4.91 1.61 3.41 -1.26 -4.87 113.62 111.63 2kkv n SER 45 Ca 0.21 -1.78 -0.32 0.00 -0.26 0.00 0.00 58.87 56.72 2kkv n SER 45 Cb 0.55 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kkv s SER 46 N -1.13 6.39 0.90 4.04 0.01 -1.26 -5.09 113.70 117.56 2kkv s SER 46 Ca 0.23 0.36 -0.11 0.00 1.31 0.00 0.00 55.95 57.73 2kkv s SER 46 Cb 0.14 -2.00 0.13 0.00 0.21 0.00 0.00 66.02 64.50 2kkv s SER 46 CO 0.19 0.19 1.09 -1.81 0.41 0.00 0.00 173.24 173.32 2kkv s ASP 47 N -2.27 3.39 0.26 2.44 1.11 -1.26 -3.93 116.67 116.40 2kkv s ASP 47 Ca 0.33 1.65 0.12 0.00 0.18 0.00 0.00 52.55 54.83 2kkv s ASP 47 Cb -0.13 -2.30 0.24 0.00 1.07 0.00 0.00 42.92 41.80 2kkv s ASP 47 CO 0.24 -2.71 1.53 -0.29 1.18 0.00 0.00 175.17 175.11 2kkv h ILE 48 N -1.60 1.30 0.00 0.77 2.10 -1.75 -3.10 117.51 115.23 2kkv h ILE 48 Ca -0.48 -2.34 -0.02 0.00 1.08 0.00 0.00 64.86 63.10 2kkv h ILE 48 Cb 1.28 2.32 -0.00 0.00 -1.09 0.00 0.00 36.82 39.33 2kkv h ILE 48 CO 0.52 0.63 -0.08 0.03 -1.08 0.00 0.00 178.15 178.17 2kkv h ARG 49 N 0.00 0.00 -2.59 2.19 3.08 -1.85 -3.27 114.38 111.94 2kkv h ARG 49 Ca -0.01 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.38 2kkv h ARG 49 Cb 1.27 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.94 2kkv h ARG 49 CO 0.08 0.08 -0.20 0.94 -1.07 0.00 0.00 179.97 179.80 2kkv n GLN 50 N -3.19 2.94 -3.34 0.04 -0.06 -1.17 -4.81 117.38 107.79 2kkv n GLN 50 Ca 0.01 -4.61 -0.38 0.00 -2.00 0.00 0.00 57.00 50.02 2kkv n GLN 50 Cb 0.39 -2.34 -0.06 0.00 -4.06 0.00 0.00 30.24 24.17 2kkv n GLN 50 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2kkv s LEU 51 N -2.33 4.46 0.61 1.69 1.98 -1.24 -4.62 118.68 119.23 2kkv s LEU 51 Ca 0.35 1.08 -0.07 0.00 -2.89 0.00 0.00 54.13 52.61 2kkv s LEU 51 Cb 0.08 -2.77 0.01 0.00 0.66 0.00 0.00 46.19 44.17 2kkv s LEU 51 CO -0.01 0.22 0.93 -0.54 -1.89 0.00 0.00 176.35 175.06 2kkv s LYS 52 N -0.70 2.88 0.00 1.98 -0.14 -1.26 -4.86 119.74 117.65 2kkv s LYS 52 Ca 0.27 0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 2kkv s LYS 52 Cb -0.18 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 2kkv s LYS 52 CO 0.16 -0.77 0.00 2.41 -0.76 0.00 0.00 175.35 176.39 2kkv n THR 53 N -2.65 0.00 0.00 2.17 -1.04 -1.26 -4.58 114.28 106.92 2kkv n THR 53 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2kkv n THR 53 Cb 0.58 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 -0.58 0.00 -0.09 8.00 7.64 -1.26 -2.01 113.62 125.32 2kkv n SER 54 Ca 0.00 0.03 0.07 0.00 1.01 0.00 0.00 58.87 59.97 2kkv n SER 54 Cb 0.00 -0.03 0.41 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.60 0.00 1.43 -0.00 -1.95 -0.59 115.15 114.64 2kkv h HIS 55 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2kkv h HIS 55 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 2kkv h HIS 55 CO 0.00 0.34 0.00 1.47 -0.00 0.00 0.00 177.93 179.74 2kkv n LEU 56 N -4.47 0.77 0.21 2.43 -0.00 -0.85 -3.06 117.00 112.02 2kkv n LEU 56 Ca 0.07 0.60 0.13 0.00 -0.00 0.00 0.00 56.01 56.81 2kkv n LEU 56 Cb 0.19 -0.39 0.30 0.00 -0.00 0.00 0.00 43.42 43.52 2kkv n LEU 56 CO 0.34 -0.28 0.85 0.25 -0.00 0.00 0.00 177.39 178.56 2kkv h LEU 57 N 0.00 0.00 -0.04 1.47 5.85 -1.30 -3.34 115.31 117.95 2kkv h LEU 57 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2kkv h LEU 57 Cb 0.64 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2kkv h LEU 57 CO 0.00 0.00 -0.20 0.00 -0.34 0.00 0.00 178.44 177.90 2kkv h ALA 58 N 2.10 -0.23 -0.48 1.25 0.00 -1.54 0.32 119.26 120.67 2kkv h ALA 58 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kkv h ALA 58 Cb 0.86 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2kkv h ALA 58 CO 0.00 -0.69 0.22 -1.35 0.00 0.00 0.00 179.25 177.44 2kkv h PRO 59 N -0.31 0.67 0.00 0.00 0.11 -1.82 -2.06 132.00 128.60 2kkv h PRO 59 Ca 0.07 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 2kkv h PRO 59 Cb 0.40 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2kkv h PRO 59 CO -0.22 0.53 -0.26 0.82 -0.21 0.00 0.00 178.00 178.66 2kkv h ILE 60 N 0.68 0.63 0.00 4.15 1.08 -1.49 -2.72 117.51 119.83 2kkv h ILE 60 Ca 0.17 -1.21 -0.04 0.00 -0.39 0.00 0.00 64.86 63.39 2kkv h ILE 60 Cb 0.08 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2kkv h ILE 60 CO -0.02 0.25 -0.19 0.50 -0.69 0.00 0.00 178.15 178.01 2kkv h LYS 61 N 0.00 0.00 0.00 2.37 3.11 0.35 -0.34 116.57 122.06 2kkv h LYS 61 Ca -0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.76 2kkv h LYS 61 Cb 0.78 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2kkv h LYS 61 CO 0.03 0.19 -0.35 1.49 -2.81 0.00 0.00 179.45 178.00 2kkv h GLU 62 N 0.00 0.00 -0.32 1.90 4.57 -1.51 -2.10 114.58 117.13 2kkv h GLU 62 Ca -0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 2kkv h GLU 62 Cb 0.43 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2kkv h GLU 62 CO 0.02 0.35 -0.51 0.28 -1.18 0.00 0.00 179.01 177.97 2kkv h VAL 63 N 0.00 1.27 -0.02 0.32 2.07 -1.18 0.46 116.25 119.17 2kkv h VAL 63 Ca -0.00 -1.69 -0.26 0.00 0.82 0.00 0.00 66.70 65.57 2kkv h VAL 63 Cb 0.66 1.56 0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2kkv h VAL 63 CO 0.05 0.56 -0.99 -2.24 0.02 0.00 0.00 177.57 174.96 2kkv h ASP 64 N 0.70 0.91 0.09 0.57 3.04 -1.46 -2.19 116.42 118.08 2kkv h ASP 64 Ca 0.03 -0.72 -0.00 0.00 -3.24 0.00 0.00 57.03 53.09 2kkv h ASP 64 Cb 1.11 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 2kkv h ASP 64 CO 0.12 1.51 -0.04 0.74 -2.04 0.00 0.00 179.24 179.52 2kkv h THR 65 N 0.40 1.11 -0.36 1.15 2.02 -1.38 -2.75 112.91 113.10 2kkv h THR 65 Ca -0.12 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2kkv h THR 65 Cb 1.64 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 2kkv h THR 65 CO 0.20 0.30 0.00 -1.20 0.37 0.00 0.00 175.52 175.19 2kkv n SER 66 N -4.84 3.01 0.00 4.18 7.64 0.15 -4.89 113.62 118.86 2kkv n SER 66 Ca -0.08 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.51 2kkv n SER 66 Cb 0.29 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.70 3.31 3.46 0.23 0.00 -0.85 -4.97 105.19 107.08 2kkv n GLY 67 Ca 0.15 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2kkv n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkv s LYS 68 N 4.22 3.51 0.46 1.61 3.01 -1.04 -4.80 119.74 126.70 2kkv s LYS 68 Ca 0.00 -1.52 0.21 0.00 -1.01 0.00 0.00 55.97 53.65 2kkv s LYS 68 Cb 0.00 -4.84 1.12 0.00 -1.01 0.00 0.00 37.83 33.09 2kkv s LYS 68 CO 0.00 -1.83 1.96 1.12 0.51 0.00 0.00 175.35 177.11 2kkv h HIS 69 N 9.08 0.00 0.18 3.18 2.07 -1.68 0.56 115.15 128.54 2kkv h HIS 69 Ca 0.08 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.59 2kkv h HIS 69 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 2kkv h HIS 69 CO 1.14 0.22 -0.09 0.22 -3.07 0.00 0.00 177.93 176.35 2kkv h ASP 70 N 0.00 -0.21 -0.10 3.10 1.82 -1.88 -2.25 116.42 116.91 2kkv h ASP 70 Ca -0.00 -0.16 -0.22 0.00 -0.39 0.00 0.00 57.03 56.25 2kkv h ASP 70 Cb 0.49 0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.56 2kkv h ASP 70 CO 0.03 0.04 -0.78 0.58 -1.61 0.00 0.00 179.24 177.50 2kkv h VAL 71 N -0.47 1.29 -0.35 2.25 2.07 -1.93 -3.19 116.25 115.92 2kkv h VAL 71 Ca -0.03 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 2kkv h VAL 71 Cb 0.36 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2kkv h VAL 71 CO 0.04 0.63 0.04 0.00 0.02 0.00 0.00 177.57 178.31 2kkv h ALA 72 N 0.59 1.43 -0.35 1.67 0.00 -0.92 0.74 119.26 122.43 2kkv h ALA 72 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kkv h ALA 72 Cb 1.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2kkv h ALA 72 CO 0.16 0.41 0.17 0.37 0.00 0.00 0.00 179.25 180.35 2kkv h GLN 73 N 0.51 0.50 -0.64 0.00 5.75 -1.43 0.22 115.11 120.03 2kkv h GLN 73 Ca 0.12 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 2kkv h GLN 73 Cb 0.26 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 2kkv h GLN 73 CO 0.00 0.46 0.38 0.00 -2.65 0.00 0.00 178.83 177.02 2kkv h ARG 74 N 0.42 0.71 -0.01 1.69 3.08 -1.35 -2.98 114.38 115.95 2kkv h ARG 74 Ca 0.12 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2kkv h ARG 74 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2kkv h ARG 74 CO -0.01 0.47 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.67 2kkv h LEU 75 N 0.73 0.02 -0.40 3.04 3.38 -0.33 -3.13 115.31 118.64 2kkv h LEU 75 Ca 0.27 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 2kkv h LEU 75 Cb 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2kkv h LEU 75 CO -0.13 0.63 -0.65 0.06 0.09 0.00 0.00 178.44 178.45 2kkv h GLN 76 N 0.01 0.58 0.00 1.13 3.07 -0.45 -3.00 115.11 116.46 2kkv h GLN 76 Ca -0.01 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.32 2kkv h GLN 76 Cb 1.10 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.72 2kkv h GLN 76 CO 0.08 1.04 0.14 1.96 0.09 0.00 0.00 178.83 182.14 2kkv h GLN 77 N 0.42 0.00 -0.98 0.06 4.20 -1.46 -2.91 115.11 114.45 2kkv h GLN 77 Ca -0.01 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.94 2kkv h GLN 77 Cb 1.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.93 2kkv h GLN 77 CO 0.12 0.00 0.66 0.07 -0.67 0.00 0.00 178.83 179.01 2kkv h ARG 78 N 0.00 0.29 -0.09 1.46 0.11 -1.63 0.39 114.38 114.92 2kkv h ARG 78 Ca 0.00 -0.02 -0.15 0.00 0.10 0.00 0.00 59.98 59.91 2kkv h ARG 78 Cb 0.29 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 2kkv h ARG 78 CO 0.00 0.19 -0.62 0.28 0.10 0.00 0.00 179.97 179.93 2kkv h VAL 79 N 0.30 1.38 -0.28 0.08 2.07 -1.77 -0.07 116.25 117.95 2kkv h VAL 79 Ca 0.52 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 2kkv h VAL 79 Cb 1.48 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2kkv h VAL 79 CO -0.18 0.59 -0.18 0.74 0.02 0.00 0.00 177.57 178.57 2kkv h THR 80 N 0.23 1.25 -0.34 2.57 2.02 -1.06 -0.45 112.91 117.12 2kkv h THR 80 Ca -0.01 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 2kkv h THR 80 Cb 1.14 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2kkv h THR 80 CO 0.10 0.36 0.07 0.00 0.37 0.00 0.00 175.52 176.43 2kkv h ALA 81 N 1.36 0.45 -0.69 6.16 0.00 -0.85 -2.53 119.26 123.17 2kkv h ALA 81 Ca 0.08 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2kkv h ALA 81 Cb 0.57 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2kkv h ALA 81 CO 0.04 0.14 0.28 0.82 0.00 0.00 0.00 179.25 180.53 2kkv h ILE 82 N 0.40 0.74 -0.89 0.00 1.08 -0.62 -1.83 117.51 116.39 2kkv h ILE 82 Ca 0.11 -0.16 0.05 0.00 -0.39 0.00 0.00 64.86 64.47 2kkv h ILE 82 Cb 0.32 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 2kkv h ILE 82 CO 0.00 0.08 0.58 -0.03 -0.69 0.00 0.00 178.15 178.10 2kkv h MET 83 N 0.47 1.03 0.05 2.37 4.05 -0.74 -0.53 114.93 121.62 2kkv h MET 83 Ca 0.36 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.71 2kkv h MET 83 Cb 0.47 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2kkv h MET 83 CO -0.34 0.68 -0.02 -0.09 0.23 0.00 0.00 176.91 177.37 2kkv h ARG 84 N 1.06 -0.06 -0.04 0.39 2.43 -0.94 -2.60 114.38 114.63 2kkv h ARG 84 Ca 0.37 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2kkv h ARG 84 Cb 0.12 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2kkv h ARG 84 CO -0.13 0.43 0.02 1.88 -1.51 0.00 0.00 179.97 180.66 2kkv h TYR 85 N -0.58 0.05 -0.31 2.20 -1.99 -1.19 0.12 116.97 115.26 2kkv h TYR 85 Ca -0.01 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 2kkv h TYR 85 Cb 0.52 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 2kkv h TYR 85 CO 0.10 0.04 -0.18 0.00 -0.00 0.00 0.00 178.16 178.12 2kkv h ALA 86 N 1.97 1.11 0.23 3.88 0.00 -1.01 -1.67 119.26 123.76 2kkv h ALA 86 Ca 0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 2kkv h ALA 86 Cb 0.01 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 17.70 2kkv h ALA 86 CO -0.00 0.55 -1.33 0.28 0.00 0.00 0.00 179.25 178.75 2kkv h VAL 87 N 0.51 1.33 -0.26 0.00 2.07 -0.79 0.43 116.25 119.53 2kkv h VAL 87 Ca 0.08 -2.65 0.04 0.00 0.82 0.00 0.00 66.70 65.00 2kkv h VAL 87 Cb 0.60 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2kkv h VAL 87 CO 0.04 0.79 0.18 1.56 0.02 0.00 0.00 177.57 180.16 2kkv h GLN 88 N 0.05 0.18 -0.24 1.57 4.20 -0.72 -2.14 115.11 118.01 2kkv h GLN 88 Ca -0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2kkv h GLN 88 Cb 2.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.79 2kkv h GLN 88 CO 0.25 0.12 0.00 0.09 -0.67 0.00 0.00 178.83 178.62 2kkv n ASN 89 N -4.49 2.66 -3.20 1.46 3.02 -0.64 -5.03 115.26 109.03 2kkv n ASN 89 Ca 0.02 -2.01 -0.10 0.00 -0.03 0.00 0.00 54.58 52.46 2kkv n ASN 89 Cb 0.20 -0.17 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kkv n ASP 90 N 0.21 -7.04 -0.06 6.41 8.00 -0.69 -4.99 116.55 118.40 2kkv n ASP 90 Ca 0.08 -0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.34 2kkv n ASP 90 Cb 0.38 -4.27 -0.05 0.00 -0.02 0.00 0.00 41.12 37.15 2kkv n ASP 90 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kkv n TYR 91 N -1.48 0.00 -4.06 1.24 4.01 0.14 -5.01 117.16 112.00 2kkv n TYR 91 Ca -0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 2kkv n TYR 91 Cb 0.55 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 2kkv n TYR 91 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2kkv s ILE 92 N -2.24 4.77 -0.86 -0.72 -4.36 -1.25 -4.74 121.20 111.80 2kkv s ILE 92 Ca -0.17 -1.23 0.08 0.00 -0.26 0.00 0.00 60.65 59.07 2kkv s ILE 92 Cb 0.06 -3.58 0.16 0.00 1.25 0.00 0.00 42.46 40.35 2kkv s ILE 92 CO 0.25 -0.33 1.00 0.47 0.24 0.00 0.00 174.94 176.57 2kkv n ASP 93 N -1.23 2.26 -3.63 4.36 8.00 -1.26 -4.93 116.55 120.12 2kkv n ASP 93 Ca -0.08 -1.71 -0.13 0.00 0.71 0.00 0.00 54.79 53.57 2kkv n ASP 93 Cb 0.57 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kkv s SER 94 N -0.87 -0.36 -0.62 -2.24 0.15 -1.26 -5.12 113.70 103.39 2kkv s SER 94 Ca 0.14 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.94 2kkv s SER 94 Cb 0.08 0.45 0.15 0.00 -1.71 0.00 0.00 66.02 64.99 2kkv s SER 94 CO 0.11 -0.67 0.38 0.20 1.20 0.00 0.00 173.24 174.46 2kkv s ASN 95 N -1.92 4.60 0.04 5.45 -0.87 -1.26 -4.95 114.94 116.03 2kkv s ASN 95 Ca -0.06 -3.43 -0.19 0.00 -1.57 0.00 0.00 52.86 47.61 2kkv s ASN 95 Cb -0.01 -1.65 -0.16 0.00 -0.02 0.00 0.00 41.25 39.41 2kkv s ASN 95 CO -0.01 -0.16 1.26 -0.65 -2.57 0.00 0.00 177.10 174.97 2kkv h PRO 96 N 5.97 0.46 -1.03 -0.60 0.11 -1.90 -3.33 132.00 131.68 2kkv h PRO 96 Ca 0.03 -0.32 -0.53 0.00 0.11 0.00 0.00 66.00 65.29 2kkv h PRO 96 Cb 0.82 0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.71 2kkv h PRO 96 CO 0.71 0.94 0.68 0.00 -0.21 0.00 0.00 178.00 180.11 2kkv n ALA 97 N -2.50 5.64 -0.23 -0.75 0.00 -1.26 -4.44 120.51 116.95 2kkv n ALA 97 Ca -0.07 -2.85 -0.06 0.00 0.00 0.00 0.00 53.44 50.47 2kkv n ALA 97 Cb 0.50 -1.52 0.05 0.00 0.00 0.00 0.00 19.45 18.48 2kkv n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kkv h SER 98 N 1.27 0.77 0.00 0.00 0.02 -1.93 -3.34 113.55 110.35 2kkv h SER 98 Ca 0.58 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2kkv h SER 98 Cb 2.04 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2kkv h SER 98 CO 1.18 0.59 -0.02 -0.67 -1.14 0.00 0.00 176.83 176.76 2kkv n ASP 99 N -4.60 0.05 0.00 3.07 -0.08 -1.26 -4.95 116.55 108.78 2kkv n ASP 99 Ca 0.05 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2kkv n ASP 99 Cb 0.04 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.03 2kkv n ASP 99 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 2kkv n MET 100 N -2.55 0.00 -0.16 -0.67 0.00 -1.26 -4.51 117.12 107.97 2kkv n MET 100 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.70 57.66 2kkv n MET 100 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.29 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kkv h ALA 101 N 0.00 0.61 -0.47 -5.12 0.00 -1.93 -3.44 119.26 108.91 2kkv h ALA 101 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kkv h ALA 101 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kkv h ALA 101 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2kkv n GLY 102 N -1.25 1.55 2.86 0.00 0.00 -1.26 -4.43 105.19 102.66 2kkv n GLY 102 Ca 0.05 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2kkv n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv s ALA 103 N -1.02 1.73 0.08 4.61 0.00 -1.26 -5.02 121.76 120.88 2kkv s ALA 103 Ca 0.00 -1.32 -0.34 0.00 0.00 0.00 0.00 51.96 50.30 2kkv s ALA 103 Cb 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 23.12 21.52 2kkv s ALA 103 CO 0.00 -1.29 1.53 1.25 0.00 0.00 0.00 175.76 177.25 2kkv h LEU 104 N 8.02 -1.32 0.00 0.00 6.46 -2.01 -3.47 115.31 123.00 2kkv h LEU 104 Ca -0.16 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kkv h LEU 104 Cb 1.07 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2kkv h LEU 104 CO 0.41 -0.66 0.00 -0.24 -0.62 0.00 0.00 178.44 177.33 2kkv n SER 105 N -5.40 -3.94 -3.75 1.25 2.88 -1.26 -5.10 113.62 98.30 2kkv n SER 105 Ca -0.12 0.88 -0.24 0.00 -1.33 0.00 0.00 58.87 58.05 2kkv n SER 105 Cb 0.45 3.69 -0.17 0.00 -0.75 0.00 0.00 64.21 67.43 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 -2.00 0.37 -0.02 2.46 -4.23 -1.26 -5.00 115.64 105.96 2kkv s THR 106 Ca 0.00 -0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 2kkv s THR 106 Cb 0.00 -0.67 -0.32 0.00 1.34 0.00 0.00 72.50 72.86 2kkv s THR 106 CO 0.00 0.09 0.79 0.71 -0.54 0.00 0.00 174.62 175.67 2kkv h THR 107 N 6.39 1.07 -3.44 3.99 1.35 -1.98 -3.45 112.91 116.83 2kkv h THR 107 Ca -0.18 -2.61 -0.46 0.00 -0.55 0.00 0.00 66.41 62.61 2kkv h THR 107 Cb 1.13 2.84 -0.34 0.00 -1.73 0.00 0.00 68.15 70.05 2kkv h THR 107 CO 0.28 0.84 -0.79 -0.75 -0.25 0.00 0.00 175.52 174.85 2kkv s LYS 108 N -2.59 1.25 0.00 4.72 2.20 -1.26 -5.01 119.74 119.06 2kkv s LYS 108 Ca -0.13 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2kkv s LYS 108 Cb 0.05 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 2kkv s LYS 108 CO 0.88 -0.02 0.00 0.00 -0.36 0.00 0.00 175.35 175.85 2kkv n ALA 109 N 3.91 0.36 -3.51 3.13 0.00 -1.26 -5.14 120.51 117.99 2kkv n ALA 109 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.19 2kkv n ALA 109 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.62 0.37 0.23 0.00 3.52 -1.26 -5.05 118.95 116.14 2kkv s ARG 110 Ca 0.00 0.82 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 2kkv s ARG 110 Cb 0.00 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 2kkv s ARG 110 CO 0.00 -0.11 0.00 0.72 -0.81 0.00 0.00 175.30 175.10 2kkv n HIS 111 N 4.63 -2.33 -3.73 5.12 8.25 -1.26 -5.14 115.22 120.75 2kkv n HIS 111 Ca -0.13 0.51 -0.12 0.00 -0.26 0.00 0.00 57.72 57.72 2kkv n HIS 111 Cb 0.54 1.14 -0.07 0.00 1.12 0.00 0.00 29.99 32.71 2kkv n HIS 111 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2kkv s TYR 112 N -2.00 -0.18 0.00 4.41 -0.85 -1.26 -5.18 117.35 112.29 2kkv s TYR 112 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 2kkv s TYR 112 Cb 0.00 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.48 2kkv s TYR 112 CO 0.00 -0.50 0.00 -0.35 -1.52 0.00 0.00 175.55 173.18 2kkv n PRO 113 N 0.74 -0.43 -0.02 -3.49 -0.04 -1.26 -5.01 135.00 125.49 2kkv n PRO 113 Ca -0.19 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.24 2kkv n PRO 113 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 2kkv n PRO 113 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kkv h LEU 114 N 0.00 -0.06 -7.76 1.53 7.12 -2.05 -3.43 115.31 110.65 2kkv h LEU 114 Ca 0.00 -0.08 -0.67 0.00 0.13 0.00 0.00 57.88 57.26 2kkv h LEU 114 Cb 0.00 0.02 -0.38 0.00 -0.53 0.00 0.00 40.66 39.77 2kkv h LEU 114 CO 0.00 0.46 -0.67 -1.61 -0.13 0.00 0.00 178.44 176.49 2kkv s GLU 115 N -1.87 1.74 0.00 1.25 0.41 -1.26 -4.80 118.70 114.17 2kkv s GLU 115 Ca -0.03 -1.80 0.07 0.00 -0.41 0.00 0.00 54.97 52.80 2kkv s GLU 115 Cb -0.00 -3.31 0.11 0.00 -1.78 0.00 0.00 34.13 29.15 2kkv s GLU 115 CO 0.09 -0.94 0.95 1.58 -0.49 0.00 0.00 175.26 176.44 2kkv n HIS 116 N 4.39 0.00 -3.52 1.61 -0.00 -1.26 -5.02 115.22 111.42 2kkv n HIS 116 Ca 0.00 -0.34 -0.29 0.00 0.46 0.00 0.00 57.72 57.55 2kkv n HIS 116 Cb 0.42 0.22 -0.12 0.00 -0.12 0.00 0.00 29.99 30.38 2kkv n HIS 116 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kkv s HIS 117 N 0.00 0.96 -0.08 1.57 5.65 -1.26 -5.09 115.29 117.04 2kkv s HIS 117 Ca 0.09 -1.75 -0.05 0.00 0.25 0.00 0.00 55.06 53.59 2kkv s HIS 117 Cb 0.10 -1.11 -0.04 0.00 -1.18 0.00 0.00 32.58 30.35 2kkv s HIS 117 CO -0.04 -0.82 0.15 -3.38 -0.65 0.00 0.00 174.74 170.00 2kkv s HIS 118 N 0.97 3.57 -0.08 3.88 -3.43 -1.26 -5.09 115.29 113.85 2kkv s HIS 118 Ca 0.18 0.46 -0.29 0.00 -0.80 0.00 0.00 55.06 54.61 2kkv s HIS 118 Cb -0.23 -1.90 0.07 0.00 -1.43 0.00 0.00 32.58 29.09 2kkv s HIS 118 CO -0.01 0.70 0.66 -3.38 -2.00 0.00 0.00 174.74 170.71 2kkv s HIS 119 N -1.13 -0.64 -0.25 0.38 -3.43 -1.26 -5.17 115.29 103.79 2kkv s HIS 119 Ca 0.19 1.19 -0.26 0.00 -0.80 0.00 0.00 55.06 55.38 2kkv s HIS 119 Cb -0.12 0.37 0.12 0.00 -1.43 0.00 0.00 32.58 31.51 2kkv s HIS 119 CO 0.09 -0.56 0.99 -1.58 -2.00 0.00 0.00 174.74 171.69 2kkv s HIS 120 N -0.95 -0.48 -2.27 0.38 2.46 -1.26 -5.30 115.29 107.87 2kkv s HIS 120 Ca -0.09 1.10 0.18 0.00 0.47 0.00 0.00 55.06 56.71 2kkv s HIS 120 Cb -0.01 0.38 0.14 0.00 -0.13 0.00 0.00 32.58 32.96 2kkv s HIS 120 CO 0.08 -0.28 1.07 0.72 -2.47 0.00 0.00 174.74 173.87