#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kck s VAL 2 N 0.00 5.13 -0.20 2.03 1.01 -1.26 -5.02 120.40 122.08 2kck s VAL 2 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2kck s VAL 2 Cb 0.00 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.54 2kck s VAL 2 CO 0.00 -0.25 0.19 -1.81 0.00 0.00 0.00 175.10 173.22 2kck s ASP 3 N 1.77 1.73 0.09 3.32 1.01 -1.26 -4.90 116.67 118.42 2kck s ASP 3 Ca 0.12 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.99 2kck s ASP 3 Cb -0.17 0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.96 2kck s ASP 3 CO 0.13 -0.34 0.00 0.00 0.21 0.00 0.00 175.17 175.17 2kck n GLN 4 N 5.31 0.00 0.00 8.23 6.02 -1.26 -5.07 117.38 130.60 2kck n GLN 4 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2kck n GLN 4 Cb 0.49 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.74 2kck n GLN 4 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2kck n ASN 5 N -2.80 0.00 -0.91 1.08 4.13 -1.26 -4.94 115.26 110.56 2kck n ASN 5 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 2kck n ASN 5 Cb 0.00 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.28 2kck n ASN 5 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2kck n PRO 6 N -1.03 1.38 -0.02 3.52 -0.04 -1.26 -4.09 135.00 133.46 2kck n PRO 6 Ca 0.00 -0.44 -0.16 0.00 -0.04 0.00 0.00 63.50 62.87 2kck n PRO 6 Cb 0.00 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 2kck n PRO 6 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kck h GLU 7 N 0.37 0.25 -0.04 0.54 4.81 -1.92 -3.30 114.58 115.29 2kck h GLU 7 Ca 0.04 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 58.84 2kck h GLU 7 Cb 0.96 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2kck h GLU 7 CO 0.11 0.95 -0.75 0.93 -0.73 0.00 0.00 179.01 179.52 2kck h GLU 8 N -0.35 0.29 -0.15 1.92 3.07 -2.01 -3.07 114.58 114.28 2kck h GLU 8 Ca -0.04 -0.25 0.04 0.00 -0.50 0.00 0.00 59.36 58.61 2kck h GLU 8 Cb 1.06 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 2kck h GLU 8 CO 0.07 0.91 0.35 1.88 -1.40 0.00 0.00 179.01 180.82 2kck h TYR 9 N 0.19 0.00 0.00 4.33 -1.99 -1.79 -1.40 116.97 116.31 2kck h TYR 9 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2kck h TYR 9 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 2kck h TYR 9 CO 0.03 0.00 0.41 2.48 -0.00 0.00 0.00 178.16 181.08 2kck n TYR 10 N -3.24 0.32 0.32 4.88 4.11 -1.16 -1.47 117.16 120.92 2kck n TYR 10 Ca 0.01 0.17 0.10 0.00 -0.00 0.00 0.00 57.90 58.18 2kck n TYR 10 Cb 0.45 -0.49 0.50 0.00 -0.00 0.00 0.00 39.34 39.80 2kck n TYR 10 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.86 178.23 2kck h LEU 11 N 0.00 0.00 0.26 -3.48 8.10 -1.53 0.34 115.31 119.00 2kck h LEU 11 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kck h LEU 11 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.02 2kck h LEU 11 CO 0.00 0.00 -0.23 -0.08 -4.11 0.00 0.00 178.44 174.02 2kck h GLU 12 N 0.00 -0.50 -1.21 0.17 4.22 -1.55 -1.85 114.58 113.86 2kck h GLU 12 Ca 0.02 0.03 0.37 0.00 0.08 0.00 0.00 59.36 59.86 2kck h GLU 12 Cb 1.23 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 2kck h GLU 12 CO -0.00 -0.33 0.84 0.41 -2.18 0.00 0.00 179.01 177.75 2kck n GLY 13 N -1.36 -0.65 0.08 1.92 0.00 0.11 0.20 105.19 105.49 2kck n GLY 13 Ca -0.09 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 2kck n GLY 13 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kck h VAL 14 N 0.00 1.34 -0.26 1.61 2.07 -1.51 -3.19 116.25 116.32 2kck h VAL 14 Ca 0.64 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 66.45 2kck h VAL 14 Cb 2.38 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 34.51 2kck h VAL 14 CO -0.14 0.41 -0.25 -0.07 0.02 0.00 0.00 177.57 177.54 2kck h LEU 15 N -0.88 -0.85 -0.51 2.57 3.38 0.24 0.59 115.31 119.86 2kck h LEU 15 Ca -0.00 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2kck h LEU 15 Cb 0.70 0.36 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 2kck h LEU 15 CO 0.01 -0.15 -0.41 -0.61 0.09 0.00 0.00 178.44 177.37 2kck h GLN 16 N -0.12 -0.24 0.16 1.13 -0.00 -1.50 2.81 115.11 117.35 2kck h GLN 16 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 2kck h GLN 16 Cb 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.75 2kck h GLN 16 CO -0.31 -0.16 -0.31 1.88 0.00 0.00 0.00 178.83 179.93 2kck h TYR 17 N -0.25 -0.89 0.00 3.99 -1.99 -1.22 -3.36 116.97 113.25 2kck h TYR 17 Ca 0.17 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.92 2kck h TYR 17 Cb 0.57 0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.66 2kck h TYR 17 CO -0.65 -0.37 0.00 -0.25 -0.00 0.00 0.00 178.16 176.88 2kck n ASP 18 N -4.23 0.00 -4.60 3.88 8.00 0.20 -4.64 116.55 115.16 2kck n ASP 18 Ca -0.06 0.59 -0.43 0.00 0.71 0.00 0.00 54.79 55.60 2kck n ASP 18 Cb 0.26 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kck s ALA 19 N -3.05 2.90 -1.25 2.24 0.00 0.94 -4.88 121.76 118.65 2kck s ALA 19 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 2kck s ALA 19 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.06 2kck s ALA 19 CO 0.00 -2.58 2.35 0.41 0.00 0.00 0.00 175.76 175.94 2kck n GLY 20 N 5.38 3.73 2.21 0.00 0.00 -1.26 -3.35 105.19 111.90 2kck n GLY 20 Ca 0.22 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 2kck n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kck n ASN 21 N 5.25 0.49 -0.51 1.61 2.85 -1.26 -4.95 115.26 118.74 2kck n ASN 21 Ca 0.58 -2.93 0.42 0.00 -0.11 0.00 0.00 54.58 52.54 2kck n ASN 21 Cb 0.29 -0.53 0.71 0.00 1.24 0.00 0.00 39.78 41.49 2kck n ASN 21 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2kck h TYR 22 N 3.33 0.36 -0.36 1.20 -0.00 -1.90 1.34 116.97 120.94 2kck h TYR 22 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.82 2kck h TYR 22 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 36.73 37.57 2kck h TYR 22 CO 0.42 -0.16 0.17 1.15 -0.00 0.00 0.00 178.16 179.74 2kck h THR 23 N 0.04 1.17 -0.53 -0.90 2.02 -1.97 -2.85 112.91 109.89 2kck h THR 23 Ca 0.86 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 67.62 2kck h THR 23 Cb 2.93 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 70.10 2kck h THR 23 CO -0.31 0.18 0.25 -0.08 0.37 0.00 0.00 175.52 175.92 2kck h GLU 24 N 0.45 0.46 -0.29 6.66 4.81 0.14 -0.25 114.58 126.55 2kck h GLU 24 Ca 0.12 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2kck h GLU 24 Cb 0.12 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2kck h GLU 24 CO -0.02 0.30 0.55 0.66 -0.73 0.00 0.00 179.01 179.78 2kck h SER 25 N 0.47 0.00 -0.78 1.04 4.64 -1.25 0.26 113.55 117.94 2kck h SER 25 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2kck h SER 25 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 2kck h SER 25 CO -0.19 0.00 0.47 -0.29 -0.87 0.00 0.00 176.83 175.95 2kck h ILE 26 N 0.00 1.22 -0.29 0.95 2.10 -1.04 0.31 117.51 120.75 2kck h ILE 26 Ca 0.14 -0.47 0.02 0.00 1.08 0.00 0.00 64.86 65.63 2kck h ILE 26 Cb 1.24 0.13 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 2kck h ILE 26 CO -0.00 0.22 0.14 0.44 -1.08 0.00 0.00 178.15 177.87 2kck h ASP 27 N 1.06 0.21 -0.32 2.19 3.32 -0.62 0.35 116.42 122.61 2kck h ASP 27 Ca 0.28 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2kck h ASP 27 Cb -0.05 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2kck h ASP 27 CO -0.05 0.16 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.37 2kck h LEU 28 N 0.30 0.71 -0.13 1.55 -0.00 -1.53 -2.83 115.31 113.39 2kck h LEU 28 Ca 0.12 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2kck h LEU 28 Cb 0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 2kck h LEU 28 CO -0.09 0.98 0.07 0.15 -0.00 0.00 0.00 178.44 179.55 2kck h PHE 29 N 0.45 0.14 -0.95 1.13 3.57 0.00 -0.99 116.94 120.29 2kck h PHE 29 Ca 0.07 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.72 2kck h PHE 29 Cb 0.72 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 2kck h PHE 29 CO 0.06 0.08 0.60 0.93 -2.23 0.00 0.00 178.31 177.76 2kck h GLU 30 N 0.15 0.77 -0.23 1.11 5.08 -0.30 -1.08 114.58 120.09 2kck h GLU 30 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2kck h GLU 30 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2kck h GLU 30 CO -0.02 0.51 -0.06 0.87 -1.00 0.00 0.00 179.01 179.30 2kck h LYS 31 N 0.79 0.46 -0.29 2.33 1.57 -1.11 -0.67 116.57 119.64 2kck h LYS 31 Ca 0.49 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 2kck h LYS 31 Cb 0.70 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 2kck h LYS 31 CO -0.26 0.69 -0.13 0.00 -0.57 0.00 0.00 179.45 179.19 2kck h ALA 32 N 0.75 0.11 -0.65 3.86 0.00 0.05 -1.14 119.26 122.24 2kck h ALA 32 Ca 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2kck h ALA 32 Cb 0.53 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2kck h ALA 32 CO 0.02 -0.52 0.16 0.82 0.00 0.00 0.00 179.25 179.74 2kck h ILE 33 N -0.08 1.26 -0.73 0.00 2.04 -1.36 -2.64 117.51 115.99 2kck h ILE 33 Ca 0.15 -0.93 0.16 0.00 1.00 0.00 0.00 64.86 65.25 2kck h ILE 33 Cb 0.31 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2kck h ILE 33 CO -0.35 0.35 0.50 -0.61 0.00 0.00 0.00 178.15 178.04 2kck h GLN 34 N 0.96 0.30 -0.07 2.37 4.15 0.03 -1.00 115.11 121.85 2kck h GLN 34 Ca 0.20 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 2kck h GLN 34 Cb 0.35 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2kck h GLN 34 CO 0.00 0.20 0.04 -0.07 -1.93 0.00 0.00 178.83 177.06 2kck h LEU 35 N 0.30 0.08 -6.11 -2.39 4.07 -0.87 -3.45 115.31 106.95 2kck h LEU 35 Ca 0.36 -0.09 0.22 0.00 0.08 0.00 0.00 57.88 58.45 2kck h LEU 35 Cb 0.97 -0.02 -0.22 0.00 1.08 0.00 0.00 40.66 42.46 2kck h LEU 35 CO -0.09 0.15 0.16 -0.62 -1.08 0.00 0.00 178.44 176.95 2kck s ASP 36 N -5.35 -0.51 -0.16 -0.43 -1.08 -0.39 -5.08 116.67 103.68 2kck s ASP 36 Ca -0.13 0.41 -0.26 0.00 -0.52 0.00 0.00 52.55 52.05 2kck s ASP 36 Cb 0.06 1.46 -0.01 0.00 -1.46 0.00 0.00 42.92 42.97 2kck s ASP 36 CO 0.68 -0.10 0.87 -2.16 0.52 0.00 0.00 175.17 174.98 2kck s PRO 37 N 2.78 4.32 0.00 4.34 0.04 -1.16 -4.57 135.00 140.74 2kck s PRO 37 Ca -0.00 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2kck s PRO 37 Cb -0.09 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2kck s PRO 37 CO -0.13 -0.32 0.00 -0.85 0.04 0.00 0.00 177.00 175.73 2kck n GLU 38 N 5.18 0.00 -3.30 4.56 -0.00 -1.26 -5.11 120.64 120.72 2kck n GLU 38 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.78 2kck n GLU 38 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 31.44 31.85 2kck n GLU 38 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2kck s GLU 39 N 0.00 3.08 0.06 3.44 2.56 -1.26 -4.94 118.70 121.64 2kck s GLU 39 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 54.97 53.90 2kck s GLU 39 Cb 0.00 -4.02 -0.11 0.00 2.00 0.00 0.00 34.13 32.00 2kck s GLU 39 CO 0.00 -0.95 1.46 1.03 -0.56 0.00 0.00 175.26 176.24 2kck h SER 40 N 8.79 0.35 -0.98 -1.70 0.87 -2.00 -2.89 113.55 115.99 2kck h SER 40 Ca -0.27 -0.36 0.28 0.00 -1.23 0.00 0.00 61.79 60.22 2kck h SER 40 Cb 1.11 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 2kck h SER 40 CO 0.84 0.63 0.83 0.50 -0.53 0.00 0.00 176.83 179.10 2kck h LYS 41 N 0.07 0.00 0.03 2.24 3.64 -2.00 1.16 116.57 121.71 2kck h LYS 41 Ca 0.05 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 2kck h LYS 41 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2kck h LYS 41 CO 0.02 0.00 -0.97 1.88 -2.27 0.00 0.00 179.45 178.10 2kck h TYR 42 N 0.00 0.39 -0.09 1.91 -1.99 -1.93 -3.23 116.97 112.02 2kck h TYR 42 Ca 0.47 -0.23 -0.18 0.00 2.00 0.00 0.00 58.73 60.78 2kck h TYR 42 Cb 2.12 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 40.81 2kck h TYR 42 CO 0.00 1.08 -0.71 -1.49 -0.00 0.00 0.00 178.16 177.04 2kck h TRP 43 N 0.12 0.59 -0.95 4.88 4.06 0.13 -3.10 115.95 121.68 2kck h TRP 43 Ca -0.07 -0.25 0.06 0.00 2.06 0.00 0.00 58.89 60.69 2kck h TRP 43 Cb 1.63 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 29.64 2kck h TRP 43 CO 0.04 1.01 0.62 1.25 -3.56 0.00 0.00 178.44 177.80 2kck h LEU 44 N 0.30 0.98 -0.86 -4.49 5.85 -1.18 -1.20 115.31 114.72 2kck h LEU 44 Ca -0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2kck h LEU 44 Cb 1.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2kck h LEU 44 CO 0.12 0.64 0.15 -0.03 -0.34 0.00 0.00 178.44 178.98 2kck h MET 45 N 1.12 0.99 -0.60 1.25 4.05 -1.56 -2.77 114.93 117.41 2kck h MET 45 Ca 0.40 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 2kck h MET 45 Cb 0.15 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.77 2kck h MET 45 CO -0.15 0.89 0.35 -0.22 0.23 0.00 0.00 176.91 178.01 2kck h LYS 46 N 0.95 0.67 -0.31 0.39 1.63 -1.21 -2.12 116.57 116.56 2kck h LYS 46 Ca 0.20 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 2kck h LYS 46 Cb 0.34 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 31.77 2kck h LYS 46 CO 0.00 0.44 -0.03 0.78 -3.45 0.00 0.00 179.45 177.19 2kck h GLY 47 N 0.69 0.28 1.36 5.01 0.00 -1.18 0.26 103.07 109.49 2kck h GLY 47 Ca 0.25 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.67 2kck h GLY 47 CO -0.12 -0.09 0.35 0.50 0.00 0.00 0.00 176.54 177.18 2kck h LYS 48 N 0.06 0.57 0.01 4.80 1.57 -1.37 0.21 116.57 122.42 2kck h LYS 48 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2kck h LYS 48 Cb 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kck h LYS 48 CO -0.28 0.38 -0.01 0.00 -0.57 0.00 0.00 179.45 178.97 2kck h ALA 49 N 1.70 -0.02 -0.28 3.86 0.00 -0.48 -1.20 119.26 122.84 2kck h ALA 49 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kck h ALA 49 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kck h ALA 49 CO -0.06 -0.30 0.11 -0.07 0.00 0.00 0.00 179.25 178.93 2kck h LEU 50 N -0.44 0.39 -0.02 0.00 3.38 -0.56 -0.47 115.31 117.60 2kck h LEU 50 Ca -0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2kck h LEU 50 Cb 0.43 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2kck h LEU 50 CO 0.00 0.46 -0.06 0.22 0.09 0.00 0.00 178.44 179.16 2kck h TYR 51 N 0.30 -0.14 0.00 1.13 3.20 -0.64 0.47 116.97 121.29 2kck h TYR 51 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2kck h TYR 51 Cb 0.20 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2kck h TYR 51 CO -0.00 -0.09 -0.08 -0.97 -1.64 0.00 0.00 178.16 175.38 2kck h ASN 52 N -0.09 0.00 0.00 -2.11 -0.73 -1.11 -0.38 115.58 111.16 2kck h ASN 52 Ca 0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2kck h ASN 52 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2kck h ASN 52 CO -0.07 0.08 0.00 0.18 -0.37 0.00 0.00 177.43 177.25 2kck n LEU 53 N -4.14 0.09 -0.02 0.34 4.77 -0.19 -4.79 117.00 113.05 2kck n LEU 53 Ca -0.03 -0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2kck n LEU 53 Cb 0.16 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2kck n LEU 53 CO 0.32 0.02 -0.00 1.21 -1.33 0.00 0.00 177.39 177.61 2kck n GLU 54 N -0.44 -0.39 -2.79 3.23 4.07 -0.15 -4.94 120.64 119.23 2kck n GLU 54 Ca 0.00 0.13 -0.43 0.00 -0.06 0.00 0.00 57.16 56.81 2kck n GLU 54 Cb 0.02 -3.45 0.01 0.00 -0.06 0.00 0.00 31.44 27.96 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kck n ARG 55 N -2.26 4.47 -0.31 5.31 5.12 0.04 -4.78 116.66 124.26 2kck n ARG 55 Ca -0.00 -4.35 -0.04 0.00 -1.93 0.00 0.00 57.85 51.53 2kck n ARG 55 Cb 0.10 -2.58 0.08 0.00 -1.16 0.00 0.00 32.46 28.89 2kck n ARG 55 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2kck h TYR 56 N 5.28 1.11 0.03 -1.55 0.05 -1.79 0.41 116.97 120.50 2kck h TYR 56 Ca 0.30 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.08 2kck h TYR 56 Cb 0.56 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2kck h TYR 56 CO 1.13 0.74 -0.01 1.49 -1.05 0.00 0.00 178.16 180.45 2kck h GLU 57 N 1.15 -0.03 -0.58 4.88 4.81 -1.94 -2.11 114.58 120.75 2kck h GLU 57 Ca 0.30 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2kck h GLU 57 Cb -0.05 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2kck h GLU 57 CO -0.06 0.30 0.26 1.49 -0.73 0.00 0.00 179.01 180.27 2kck h GLU 58 N -0.37 0.84 -0.93 1.92 4.22 -1.89 -2.54 114.58 115.83 2kck h GLU 58 Ca -0.00 -0.14 0.08 0.00 0.08 0.00 0.00 59.36 59.38 2kck h GLU 58 Cb 0.35 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2kck h GLU 58 CO 0.01 0.71 0.58 0.00 -2.18 0.00 0.00 179.01 178.12 2kck h ALA 59 N 1.10 1.32 -0.84 2.92 0.00 -0.15 -0.38 119.26 123.22 2kck h ALA 59 Ca 0.19 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2kck h ALA 59 Cb 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2kck h ALA 59 CO -0.02 0.30 0.56 0.28 0.00 0.00 0.00 179.25 180.37 2kck h VAL 60 N 1.02 1.22 -0.74 0.00 2.07 -0.97 -1.61 116.25 117.25 2kck h VAL 60 Ca 0.42 -0.39 0.13 0.00 0.82 0.00 0.00 66.70 67.68 2kck h VAL 60 Cb 0.26 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 2kck h VAL 60 CO -0.20 0.21 0.49 0.44 0.02 0.00 0.00 177.57 178.53 2kck h ASP 61 N 1.14 0.43 -0.12 0.57 3.32 -0.81 -0.44 116.42 120.51 2kck h ASP 61 Ca 0.31 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 2kck h ASP 61 Cb -0.13 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2kck h ASP 61 CO -0.07 0.23 -0.28 0.00 -1.72 0.00 0.00 179.24 177.40 2kck h TYR 63 N -0.00 0.34 -0.27 0.00 5.03 -0.98 -0.79 116.97 120.30 2kck h TYR 63 Ca -0.00 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 2kck h TYR 63 Cb 0.89 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 2kck h TYR 63 CO 0.11 0.17 -0.21 -0.97 -1.32 0.00 0.00 178.16 175.94 2kck h ASN 64 N 0.38 0.49 -0.01 -2.11 -0.73 -1.16 -2.65 115.58 109.79 2kck h ASN 64 Ca 0.17 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 2kck h ASN 64 Cb 0.08 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.54 2kck h ASN 64 CO -0.12 0.71 0.01 0.22 -0.37 0.00 0.00 177.43 177.87 2kck h TYR 65 N 0.44 0.01 -0.10 0.67 5.03 -0.31 1.53 116.97 124.24 2kck h TYR 65 Ca 0.07 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.39 2kck h TYR 65 Cb 0.61 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 2kck h TYR 65 CO 0.02 0.04 0.07 0.28 -1.32 0.00 0.00 178.16 177.25 2kck h VAL 66 N -0.02 1.00 0.00 1.81 2.07 -1.04 0.16 116.25 120.23 2kck h VAL 66 Ca 0.00 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 2kck h VAL 66 Cb 0.03 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2kck h VAL 66 CO -0.00 0.02 -1.24 0.40 0.02 0.00 0.00 177.57 176.77 2kck h ILE 67 N 0.09 0.38 0.00 4.57 2.04 -1.02 -3.07 117.51 120.50 2kck h ILE 67 Ca 0.04 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2kck h ILE 67 Cb 0.06 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2kck h ILE 67 CO -0.01 0.22 -0.01 -1.13 0.00 0.00 0.00 178.15 177.22 2kck h ASN 68 N 0.00 0.00 -0.36 1.72 -0.73 0.33 -3.39 115.58 113.16 2kck h ASN 68 Ca -0.11 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2kck h ASN 68 Cb 1.41 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.99 2kck h ASN 68 CO 0.03 0.23 0.24 0.58 -0.37 0.00 0.00 177.43 178.15 2kck h VAL 69 N -0.46 1.10 -3.30 2.57 2.07 -0.95 -3.41 116.25 113.87 2kck h VAL 69 Ca 0.00 -0.18 -0.63 0.00 0.82 0.00 0.00 66.70 66.71 2kck h VAL 69 Cb 0.01 0.57 -0.20 0.00 -1.52 0.00 0.00 31.29 30.16 2kck h VAL 69 CO 0.00 0.09 -0.64 -0.63 0.02 0.00 0.00 177.57 176.41 2kck s ILE 70 N -6.15 4.12 -0.63 4.57 1.01 -1.16 -4.98 121.20 117.98 2kck s ILE 70 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2kck s ILE 70 Cb 0.10 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2kck s ILE 70 CO 0.72 0.49 0.58 -0.62 0.00 0.00 0.00 174.94 176.11 2kck n GLU 71 N 3.48 0.85 -0.68 2.79 4.71 -1.26 -3.74 120.64 126.79 2kck n GLU 71 Ca -0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 56.92 2kck n GLU 71 Cb 0.52 -1.29 -0.09 0.00 -1.01 0.00 0.00 31.44 29.57 2kck n GLU 71 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2kck n ASP 72 N 0.26 4.46 -4.39 1.62 -0.08 -1.26 -4.76 116.55 112.39 2kck n ASP 72 Ca 0.00 -2.27 -0.40 0.00 -1.51 0.00 0.00 54.79 50.61 2kck n ASP 72 Cb 0.29 -1.10 -0.02 0.00 2.34 0.00 0.00 41.12 42.64 2kck n ASP 72 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2kck n GLU 73 N 2.18 2.74 0.00 -0.67 2.13 -1.26 -3.34 120.64 122.42 2kck n GLU 73 Ca 0.22 -2.93 0.00 0.00 0.66 0.00 0.00 57.16 55.10 2kck n GLU 73 Cb 0.63 -3.48 0.00 0.00 0.27 0.00 0.00 31.44 28.87 2kck n GLU 73 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2kck n TYR 74 N 9.13 0.00 -1.44 4.31 9.36 -1.26 -5.10 117.16 132.17 2kck n TYR 74 Ca 0.49 0.00 -0.49 0.00 3.32 0.00 0.00 57.90 61.22 2kck n TYR 74 Cb 0.45 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.08 2kck n TYR 74 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kck n ASN 75 N -0.08 1.78 -0.26 2.98 5.03 -1.21 -4.80 115.26 118.69 2kck n ASN 75 Ca 0.00 0.32 -0.05 0.00 0.87 0.00 0.00 54.58 55.72 2kck n ASN 75 Cb 0.00 -1.21 0.06 0.00 -1.02 0.00 0.00 39.78 37.60 2kck n ASN 75 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2kck h LYS 76 N 12.70 0.93 -0.96 3.52 1.57 -1.95 -1.98 116.57 130.41 2kck h LYS 76 Ca -0.22 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2kck h LYS 76 Cb 1.33 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 2kck h LYS 76 CO 1.08 0.62 0.63 -0.44 -0.57 0.00 0.00 179.45 180.77 2kck h ASP 77 N 0.96 1.08 0.05 0.86 3.32 -1.96 -0.74 116.42 119.98 2kck h ASP 77 Ca 0.26 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2kck h ASP 77 Cb -0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.18 2kck h ASP 77 CO -0.06 0.76 -0.02 0.58 -1.72 0.00 0.00 179.24 178.78 2kck h VAL 78 N 1.26 1.08 -0.71 -1.35 2.07 -1.78 -1.28 116.25 115.54 2kck h VAL 78 Ca 0.37 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2kck h VAL 78 Cb -0.08 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2kck h VAL 78 CO -0.10 0.10 0.43 -0.50 0.02 0.00 0.00 177.57 177.52 2kck h TRP 79 N -0.24 0.79 -0.86 1.57 4.06 -1.08 -1.74 115.95 118.46 2kck h TRP 79 Ca -0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 2kck h TRP 79 Cb 0.21 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.08 2kck h TRP 79 CO -0.02 0.41 0.51 0.00 -3.56 0.00 0.00 178.44 175.79 2kck h ALA 80 N 1.34 1.10 -0.48 1.49 0.00 -0.98 -2.49 119.26 119.24 2kck h ALA 80 Ca 0.31 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2kck h ALA 80 Cb 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2kck h ALA 80 CO -0.15 0.57 0.27 0.00 0.00 0.00 0.00 179.25 179.93 2kck h ALA 81 N 1.28 0.61 -0.54 0.00 0.00 -0.37 -2.34 119.26 117.89 2kck h ALA 81 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2kck h ALA 81 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2kck h ALA 81 CO -0.06 -0.05 0.30 -0.22 0.00 0.00 0.00 179.25 179.23 2kck h LYS 82 N 0.54 0.58 -0.55 0.00 3.64 -1.01 -2.33 116.57 117.43 2kck h LYS 82 Ca 0.20 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2kck h LYS 82 Cb 0.05 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 31.65 2kck h LYS 82 CO -0.11 0.38 -0.04 0.00 -2.27 0.00 0.00 179.45 177.42 2kck h ALA 83 N 1.27 0.49 -0.67 5.00 0.00 -1.00 0.33 119.26 124.67 2kck h ALA 83 Ca 0.23 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.40 2kck h ALA 83 Cb 0.09 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2kck h ALA 83 CO -0.13 -0.40 0.44 -0.44 0.00 0.00 0.00 179.25 178.72 2kck h ASP 84 N 0.08 0.53 -0.21 0.00 3.32 -1.20 0.16 116.42 119.10 2kck h ASP 84 Ca 0.28 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 2kck h ASP 84 Cb 0.44 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2kck h ASP 84 CO -0.50 0.33 -0.03 0.00 -1.72 0.00 0.00 179.24 177.33 2kck h ALA 85 N 1.65 0.29 -0.35 3.45 0.00 -0.14 -3.05 119.26 121.12 2kck h ALA 85 Ca 0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2kck h ALA 85 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kck h ALA 85 CO -0.10 0.04 -0.13 -0.07 0.00 0.00 0.00 179.25 179.00 2kck h LEU 86 N 0.13 0.59 0.00 0.00 4.07 -0.28 -2.45 115.31 117.37 2kck h LEU 86 Ca 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2kck h LEU 86 Cb 0.45 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2kck h LEU 86 CO 0.02 0.75 0.18 0.54 -1.08 0.00 0.00 178.44 178.85 2kck n ARG 87 N -4.18 0.00 -3.09 1.13 5.12 0.48 -1.88 116.66 114.25 2kck n ARG 87 Ca 0.01 0.29 -0.17 0.00 -1.93 0.00 0.00 57.85 56.05 2kck n ARG 87 Cb 0.35 -1.68 -0.01 0.00 -1.16 0.00 0.00 32.46 29.95 2kck n ARG 87 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2kck n TYR 88 N -1.28 -0.66 -4.56 -1.55 4.01 -0.92 -5.09 117.16 107.11 2kck n TYR 88 Ca 0.00 -3.36 -0.21 0.00 -0.16 0.00 0.00 57.90 54.17 2kck n TYR 88 Cb 0.18 0.06 -0.15 0.00 -0.31 0.00 0.00 39.34 39.12 2kck n TYR 88 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2kck s ILE 89 N -1.52 1.07 -0.87 -0.72 2.07 -0.78 -4.82 121.20 115.63 2kck s ILE 89 Ca 0.35 -0.67 -0.23 0.00 -1.41 0.00 0.00 60.65 58.70 2kck s ILE 89 Cb 0.29 -0.91 0.06 0.00 0.13 0.00 0.00 42.46 42.04 2kck s ILE 89 CO -0.09 0.24 1.26 -1.61 -1.91 0.00 0.00 174.94 172.82 2kck s GLU 90 N -0.49 3.40 0.00 3.50 8.01 -1.26 -4.76 118.70 127.10 2kck s GLU 90 Ca 0.04 -0.97 0.00 0.00 0.01 0.00 0.00 54.97 54.05 2kck s GLU 90 Cb -0.06 -4.77 0.00 0.00 -4.31 0.00 0.00 34.13 24.99 2kck s GLU 90 CO -0.00 -2.04 0.00 0.41 0.01 0.00 0.00 175.26 173.64 2kck n GLY 91 N 5.95 -0.70 3.77 -1.39 0.00 -1.26 -5.14 105.19 106.43 2kck n GLY 91 Ca 0.17 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2kck n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kck s LYS 92 N -0.38 4.08 -0.07 1.61 1.02 -1.26 -4.95 119.74 119.78 2kck s LYS 92 Ca 0.00 1.72 0.20 0.00 0.02 0.00 0.00 55.97 57.91 2kck s LYS 92 Cb 0.00 -2.62 -0.27 0.00 -0.52 0.00 0.00 37.83 34.42 2kck s LYS 92 CO 0.00 -0.26 0.40 -1.91 -0.92 0.00 0.00 175.35 172.65 2kck n GLU 93 N 0.01 0.66 0.30 1.68 2.13 -1.26 -4.18 120.64 119.99 2kck n GLU 93 Ca 0.05 -0.07 0.18 0.00 0.66 0.00 0.00 57.16 57.98 2kck n GLU 93 Cb 0.48 -1.57 0.96 0.00 0.27 0.00 0.00 31.44 31.58 2kck n GLU 93 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2kck h VAL 94 N 0.00 0.22 -0.01 6.31 -1.51 -2.01 -2.66 116.25 116.59 2kck h VAL 94 Ca -0.22 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2kck h VAL 94 Cb 1.51 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2kck h VAL 94 CO 0.02 0.03 0.00 -0.33 -1.23 0.00 0.00 177.57 176.06 2kck h GLU 95 N 0.00 0.01 -0.65 5.19 4.39 -1.99 -2.31 114.58 119.22 2kck h GLU 95 Ca -0.00 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 2kck h GLU 95 Cb 0.18 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 2kck h GLU 95 CO 0.00 0.28 0.43 0.00 -1.16 0.00 0.00 179.01 178.57 2kck h ALA 96 N 0.73 1.87 -0.16 3.43 0.00 -1.72 -1.64 119.26 121.78 2kck h ALA 96 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kck h ALA 96 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kck h ALA 96 CO 0.00 0.00 -0.01 0.93 0.00 0.00 0.00 179.25 180.17 2kck h GLU 97 N 0.56 0.28 -0.92 0.00 4.39 -1.48 -1.80 114.58 115.61 2kck h GLU 97 Ca 0.29 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.94 2kck h GLU 97 Cb 0.42 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2kck h GLU 97 CO -0.09 0.51 0.59 0.82 -1.16 0.00 0.00 179.01 179.69 2kck h ILE 98 N 0.01 1.15 0.02 3.13 2.04 -0.80 -1.30 117.51 121.77 2kck h ILE 98 Ca 0.04 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2kck h ILE 98 Cb 0.39 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2kck h ILE 98 CO 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.36 2kck h ALA 99 N 1.38 -0.03 -0.63 1.87 0.00 -1.21 0.30 119.26 120.95 2kck h ALA 99 Ca 0.36 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2kck h ALA 99 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2kck h ALA 99 CO -0.12 -0.43 0.30 0.93 0.00 0.00 0.00 179.25 179.92 2kck h GLU 100 N -0.19 0.52 -0.40 0.00 5.08 -0.97 0.28 114.58 118.89 2kck h GLU 100 Ca -0.00 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2kck h GLU 100 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2kck h GLU 100 CO 0.00 0.34 -0.24 0.00 -1.00 0.00 0.00 179.01 178.12 2kck h ALA 101 N 1.38 0.57 -0.72 3.43 0.00 -1.07 0.45 119.26 123.30 2kck h ALA 101 Ca 0.30 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2kck h ALA 101 Cb 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2kck h ALA 101 CO -0.24 0.56 0.33 -0.09 0.00 0.00 0.00 179.25 179.80 2kck h ARG 102 N 0.68 1.05 -0.09 0.00 9.65 0.38 0.00 114.38 126.05 2kck h ARG 102 Ca 0.08 -0.17 -0.24 0.00 -1.10 0.00 0.00 59.98 58.56 2kck h ARG 102 Cb 0.80 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.22 2kck h ARG 102 CO 0.07 0.84 -0.87 0.00 2.80 0.00 0.00 179.97 182.80 2kck h ALA 103 N 1.16 0.23 -0.22 2.80 0.00 -0.42 -3.08 119.26 119.74 2kck h ALA 103 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kck h ALA 103 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kck h ALA 103 CO -0.03 0.67 0.00 1.63 0.00 0.00 0.00 179.25 181.52 2kck n LYS 104 N -3.92 2.25 -0.29 0.00 4.76 0.14 -4.13 118.16 116.98 2kck n LYS 104 Ca -0.09 -1.10 -0.06 0.00 -2.87 0.00 0.00 58.31 54.20 2kck n LYS 104 Cb 0.80 -1.67 0.06 0.00 -1.84 0.00 0.00 35.03 32.38 2kck n LYS 104 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2kck h LEU 105 N 1.45 1.05 -1.87 -0.35 5.85 -0.90 -2.02 115.31 118.53 2kck h LEU 105 Ca 0.00 -0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.79 2kck h LEU 105 Cb 0.91 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2kck h LEU 105 CO 0.14 0.91 0.57 -0.08 -0.34 0.00 0.00 178.44 179.64 2kck h GLU 106 N 1.13 0.10 0.00 1.25 4.81 -1.83 -3.46 114.58 116.58 2kck h GLU 106 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2kck h GLU 106 Cb 0.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2kck h GLU 106 CO -0.03 0.07 0.00 -2.39 -0.73 0.00 0.00 179.01 175.93 2kck n HIS 107 N -4.36 -0.61 -3.44 0.92 1.44 -0.76 -4.94 115.22 103.48 2kck n HIS 107 Ca 0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.75 2kck n HIS 107 Cb 0.81 0.04 -0.03 0.00 0.12 0.00 0.00 29.99 30.93 2kck n HIS 107 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kck s HIS 108 N 0.00 -0.55 -0.16 -1.40 -3.43 -1.26 -5.14 115.29 103.35 2kck s HIS 108 Ca 0.00 0.45 -0.11 0.00 -0.80 0.00 0.00 55.06 54.61 2kck s HIS 108 Cb 0.00 0.53 0.05 0.00 -1.43 0.00 0.00 32.58 31.73 2kck s HIS 108 CO 0.00 -0.81 0.39 -1.01 -2.00 0.00 0.00 174.74 171.32 2kck s HIS 109 N -3.32 -0.51 -0.29 0.38 3.76 -1.26 -5.01 115.29 109.04 2kck s HIS 109 Ca -0.01 1.16 -0.16 0.00 -0.15 0.00 0.00 55.06 55.90 2kck s HIS 109 Cb -0.01 0.20 0.02 0.00 1.11 0.00 0.00 32.58 33.91 2kck s HIS 109 CO -0.09 -0.28 0.33 0.72 -0.85 0.00 0.00 174.74 174.57 2kck n HIS 110 N 3.68 -2.34 -0.14 1.40 8.25 -1.26 -4.88 115.22 119.93 2kck n HIS 110 Ca -0.19 0.99 -0.10 0.00 -0.26 0.00 0.00 57.72 58.16 2kck n HIS 110 Cb 0.56 -2.46 -0.01 0.00 1.12 0.00 0.00 29.99 29.21 2kck n HIS 110 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kck h HIS 111 N 2.69 0.71 0.00 4.41 2.76 -2.05 -3.57 115.15 120.10 2kck h HIS 111 Ca -0.18 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2kck h HIS 111 Cb 0.94 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2kck h HIS 111 CO 0.02 0.68 0.00 0.72 -1.30 0.00 0.00 177.93 178.06