#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 4.52 0.00 2.03 -7.23 -1.26 -4.80 120.40 113.66 2kck s VAL 2 Ca 0.00 1.91 0.00 0.00 -1.81 0.00 0.00 61.98 62.08 2kck s VAL 2 Cb 0.00 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.69 2kck s VAL 2 CO 0.00 0.36 0.00 -0.67 -0.31 0.00 0.00 175.10 174.48 2kck n ASP 3 N 2.59 0.00 0.00 4.85 2.03 -1.26 -4.94 116.55 119.83 2kck n ASP 3 Ca -0.00 -0.38 0.01 0.00 0.52 0.00 0.00 54.79 54.94 2kck n ASP 3 Cb 0.49 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.96 2kck n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kck n GLN 4 N 0.00 0.78 -3.64 -0.67 1.13 -1.26 -4.68 117.38 109.04 2kck n GLN 4 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2kck n GLN 4 Cb 0.13 -1.04 -0.07 0.00 0.11 0.00 0.00 30.24 29.37 2kck n GLN 4 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2kck s ASN 5 N -1.29 -0.67 -0.81 1.08 3.84 -1.26 -4.96 114.94 110.88 2kck s ASN 5 Ca 0.03 1.19 -0.21 0.00 0.21 0.00 0.00 52.86 54.08 2kck s ASN 5 Cb 0.01 1.23 -0.14 0.00 -0.55 0.00 0.00 41.25 41.81 2kck s ASN 5 CO 0.02 -0.20 1.95 -0.81 -2.79 0.00 0.00 177.10 175.28 2kck n PRO 6 N 3.13 1.59 -0.03 0.43 -0.04 -1.26 -4.50 135.00 134.32 2kck n PRO 6 Ca -0.16 -1.84 -0.21 0.00 -0.04 0.00 0.00 63.50 61.25 2kck n PRO 6 Cb 0.57 -2.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.00 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 7.70 0.15 -0.40 0.54 4.81 -1.97 -3.34 114.58 122.08 2kck h GLU 7 Ca 0.43 -0.26 0.11 0.00 -0.13 0.00 0.00 59.36 59.52 2kck h GLU 7 Cb 0.63 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2kck h GLU 7 CO 1.92 1.13 0.34 1.05 -0.73 0.00 0.00 179.01 182.72 2kck h GLU 8 N -0.50 0.00 0.00 1.92 4.11 -1.98 -1.43 114.58 116.70 2kck h GLU 8 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2kck h GLU 8 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2kck h GLU 8 CO -0.03 0.00 0.22 0.66 0.07 0.00 0.00 179.01 179.93 2kck n TYR 9 N -4.07 0.00 -0.84 2.06 4.02 -1.25 -4.33 117.16 112.74 2kck n TYR 9 Ca 0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.69 2kck n TYR 9 Cb 0.52 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.60 2kck n TYR 9 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2kck n TYR 10 N -1.09 0.17 0.00 -0.72 0.18 -0.54 -3.84 117.16 111.32 2kck n TYR 10 Ca 0.00 -0.30 0.00 0.00 1.88 0.00 0.00 57.90 59.48 2kck n TYR 10 Cb 0.22 -1.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.16 2kck n TYR 10 CO 0.00 0.00 0.00 1.47 -2.08 0.00 0.00 176.86 176.25 2kck n LEU 11 N 9.71 1.58 -0.16 -3.48 -0.00 -1.26 -4.80 117.00 118.59 2kck n LEU 11 Ca 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.32 2kck n LEU 11 Cb 0.40 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.88 2kck n LEU 11 CO 0.84 0.26 0.84 -0.33 -0.00 0.00 0.00 177.39 179.00 2kck h GLU 12 N 0.00 0.11 -0.54 1.47 3.07 -1.97 -2.03 114.58 114.70 2kck h GLU 12 Ca 0.00 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.92 2kck h GLU 12 Cb 0.67 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.48 2kck h GLU 12 CO 0.00 0.07 -0.26 0.41 -1.40 0.00 0.00 179.01 177.83 2kck n GLY 13 N -1.32 -1.24 0.24 -3.84 0.00 -1.26 0.10 105.19 97.86 2kck n GLY 13 Ca 0.06 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.55 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 0.61 0.00 1.61 2.07 -1.73 -2.57 116.25 116.24 2kck h VAL 14 Ca 0.14 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kck h VAL 14 Cb 0.27 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2kck h VAL 14 CO -0.52 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.31 2kck n LEU 15 N -5.24 0.00 -0.25 2.57 4.77 0.29 0.74 117.00 119.88 2kck n LEU 15 Ca -0.11 0.72 -0.12 0.00 -0.03 0.00 0.00 56.01 56.47 2kck n LEU 15 Cb 0.27 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2kck n LEU 15 CO 0.33 -0.22 0.49 -0.61 -1.33 0.00 0.00 177.39 176.06 2kck h GLN 16 N 0.00 -0.22 -0.43 3.23 4.15 -0.68 1.15 115.11 122.32 2kck h GLN 16 Ca 0.00 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.48 2kck h GLN 16 Cb 0.00 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 2kck h GLN 16 CO 0.00 -0.15 -0.42 1.88 -1.93 0.00 0.00 178.83 178.21 2kck h TYR 17 N -0.23 -1.31 0.00 3.99 -1.99 -1.02 -3.30 116.97 113.11 2kck h TYR 17 Ca 0.11 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.91 2kck h TYR 17 Cb 0.51 0.63 0.00 0.00 2.00 0.00 0.00 36.73 39.87 2kck h TYR 17 CO -0.85 -0.34 0.00 -0.25 -0.00 0.00 0.00 178.16 176.72 2kck n ASP 18 N -4.68 0.00 -4.64 3.88 9.92 0.23 -4.83 116.55 116.43 2kck n ASP 18 Ca -0.01 0.26 -0.35 0.00 -0.53 0.00 0.00 54.79 54.16 2kck n ASP 18 Cb 0.24 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.62 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kck s ALA 19 N -2.91 3.37 0.00 2.24 0.00 0.39 -5.04 121.76 119.82 2kck s ALA 19 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2kck s ALA 19 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2kck s ALA 19 CO 0.00 0.26 0.62 0.41 0.00 0.00 0.00 175.76 177.05 2kck n GLY 20 N 3.27 -2.09 2.89 0.00 0.00 -1.25 -2.31 105.19 105.70 2kck n GLY 20 Ca -0.17 0.40 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 2kck n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kck n ASN 21 N -2.45 -3.64 0.05 1.61 3.02 -1.26 -3.32 115.26 109.28 2kck n ASN 21 Ca 0.00 -0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 2kck n ASN 21 Cb 0.00 -3.06 -0.08 0.00 -0.61 0.00 0.00 39.78 36.03 2kck n ASN 21 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2kck h TYR 22 N -0.48 -0.05 -0.18 3.10 0.05 -1.97 0.28 116.97 117.72 2kck h TYR 22 Ca -0.34 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.42 2kck h TYR 22 Cb 1.24 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 2kck h TYR 22 CO 0.70 0.07 0.02 1.15 -1.05 0.00 0.00 178.16 179.05 2kck h THR 23 N -0.17 1.24 -0.78 -2.88 2.02 -1.96 -2.88 112.91 107.49 2kck h THR 23 Ca -0.01 -0.79 0.10 0.00 0.77 0.00 0.00 66.41 66.49 2kck h THR 23 Cb 0.15 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 2kck h THR 23 CO 0.01 0.24 0.51 -0.08 0.37 0.00 0.00 175.52 176.57 2kck h GLU 24 N 0.08 0.65 0.00 6.66 4.57 -1.92 0.16 114.58 124.79 2kck h GLU 24 Ca 0.05 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2kck h GLU 24 Cb 0.34 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2kck h GLU 24 CO 0.01 0.43 -0.08 0.66 -1.18 0.00 0.00 179.01 178.84 2kck h SER 25 N 0.67 0.00 -0.65 1.04 4.64 -0.72 -2.32 113.55 116.22 2kck h SER 25 Ca 0.36 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.74 2kck h SER 25 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 2kck h SER 25 CO -0.14 0.08 0.43 -0.29 -0.87 0.00 0.00 176.83 176.05 2kck h ILE 26 N 0.00 1.03 -0.31 0.95 6.09 -0.62 -0.18 117.51 124.46 2kck h ILE 26 Ca -0.00 -0.23 -0.08 0.00 -1.37 0.00 0.00 64.86 63.18 2kck h ILE 26 Cb 0.26 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 2kck h ILE 26 CO 0.01 0.12 -0.14 0.44 -3.07 0.00 0.00 178.15 175.52 2kck h ASP 27 N 0.68 0.53 -0.04 2.19 3.32 -1.52 -0.18 116.42 121.40 2kck h ASP 27 Ca 0.28 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2kck h ASP 27 Cb 0.23 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2kck h ASP 27 CO -0.08 0.70 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.89 2kck h LEU 28 N 0.50 0.23 -0.67 1.55 -0.00 -1.19 -2.98 115.31 112.74 2kck h LEU 28 Ca 0.09 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 2kck h LEU 28 Cb 0.54 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.09 2kck h LEU 28 CO 0.03 0.84 0.42 -0.26 -0.00 0.00 0.00 178.44 179.47 2kck h PHE 29 N -0.36 0.87 -0.83 1.13 0.04 -1.08 -1.65 116.94 115.05 2kck h PHE 29 Ca -0.01 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2kck h PHE 29 Cb 0.83 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 2kck h PHE 29 CO 0.14 0.58 0.54 1.49 -0.60 0.00 0.00 178.31 180.46 2kck h GLU 30 N 0.92 0.70 -0.23 1.51 4.57 -1.07 -1.21 114.58 119.77 2kck h GLU 30 Ca 0.24 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.20 2kck h GLU 30 Cb -0.06 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 2kck h GLU 30 CO -0.05 0.46 -0.55 0.87 -1.18 0.00 0.00 179.01 178.56 2kck h LYS 31 N 0.72 0.78 -0.59 1.92 1.57 -1.20 -2.80 116.57 116.97 2kck h LYS 31 Ca 0.40 -0.53 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2kck h LYS 31 Cb 0.55 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 2kck h LYS 31 CO -0.16 1.16 0.23 0.00 -0.57 0.00 0.00 179.45 180.11 2kck h ALA 32 N 0.62 0.76 0.00 3.86 0.00 -0.35 0.91 119.26 125.05 2kck h ALA 32 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2kck h ALA 32 Cb 1.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kck h ALA 32 CO 0.12 -0.17 -0.28 0.82 0.00 0.00 0.00 179.25 179.75 2kck h ILE 33 N 0.43 1.08 -0.14 0.00 2.04 -1.42 -2.52 117.51 116.98 2kck h ILE 33 Ca 0.29 -0.99 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 2kck h ILE 33 Cb 0.32 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2kck h ILE 33 CO -0.27 0.27 -0.46 -0.61 0.00 0.00 0.00 178.15 177.07 2kck h GLN 34 N 0.00 0.35 -0.12 2.37 4.15 -0.59 -3.16 115.11 118.11 2kck h GLN 34 Ca -0.00 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 2kck h GLN 34 Cb 0.53 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2kck h GLN 34 CO 0.04 0.75 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.58 2kck h LEU 35 N 0.29 0.23 -6.08 -2.39 4.07 -0.81 -3.46 115.31 107.17 2kck h LEU 35 Ca 0.02 -0.38 0.25 0.00 0.08 0.00 0.00 57.88 57.85 2kck h LEU 35 Cb 0.93 -0.06 -0.23 0.00 1.08 0.00 0.00 40.66 42.38 2kck h LEU 35 CO 0.08 0.56 0.25 1.51 -1.08 0.00 0.00 178.44 179.76 2kck s ASP 36 N -5.83 -0.32 0.00 -0.43 1.47 -1.13 -5.04 116.67 105.40 2kck s ASP 36 Ca -0.14 0.27 0.00 0.00 1.18 0.00 0.00 52.55 53.85 2kck s ASP 36 Cb 0.05 1.30 0.00 0.00 -0.34 0.00 0.00 42.92 43.92 2kck s ASP 36 CO 0.72 -0.06 0.00 -0.81 0.68 0.00 0.00 175.17 175.70 2kck n PRO 37 N 5.25 3.47 -2.16 2.11 -0.04 -1.22 -4.71 135.00 137.70 2kck n PRO 37 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2kck n PRO 37 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2kck n PRO 37 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kck n GLU 38 N 0.00 -0.25 -3.36 0.54 2.13 -1.26 -5.02 120.64 113.42 2kck n GLU 38 Ca 0.00 0.08 -0.17 0.00 0.66 0.00 0.00 57.16 57.73 2kck n GLU 38 Cb 0.00 -3.46 -0.08 0.00 0.27 0.00 0.00 31.44 28.17 2kck n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2kck s GLU 39 N -4.32 0.65 0.56 5.31 2.02 -1.26 -4.99 118.70 116.68 2kck s GLU 39 Ca 0.01 -0.88 0.33 0.00 0.02 0.00 0.00 54.97 54.45 2kck s GLU 39 Cb -0.00 -0.72 1.46 0.00 0.10 0.00 0.00 34.13 34.97 2kck s GLU 39 CO 0.01 -1.20 1.80 0.77 0.02 0.00 0.00 175.26 176.66 2kck h SER 40 N 7.02 0.00 -1.01 -0.19 0.02 -1.99 -0.28 113.55 117.11 2kck h SER 40 Ca 0.05 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.28 2kck h SER 40 Cb 1.06 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.47 2kck h SER 40 CO 0.20 0.00 0.60 0.11 -1.14 0.00 0.00 176.83 176.60 2kck h LYS 41 N 0.00 0.48 0.04 3.45 6.56 -1.99 0.98 116.57 126.08 2kck h LYS 41 Ca 0.43 -0.03 -0.22 0.00 -1.06 0.00 0.00 60.65 59.77 2kck h LYS 41 Cb 1.93 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 33.47 2kck h LYS 41 CO -0.00 0.31 -1.01 0.10 -2.06 0.00 0.00 179.45 176.79 2kck h TYR 42 N 0.49 0.27 -0.19 -1.35 -0.00 -1.48 -3.23 116.97 111.47 2kck h TYR 42 Ca 0.67 -0.17 -0.19 0.00 0.00 0.00 0.00 58.73 59.04 2kck h TYR 42 Cb 1.39 -0.02 0.01 0.00 0.00 0.00 0.00 36.73 38.11 2kck h TYR 42 CO -0.01 1.06 -0.61 -1.49 -0.00 0.00 0.00 178.16 177.12 2kck h TRP 43 N 0.07 0.99 -0.75 0.10 -0.00 -0.17 -2.69 115.95 113.49 2kck h TRP 43 Ca -0.06 -0.40 0.09 0.00 -0.00 0.00 0.00 58.89 58.52 2kck h TRP 43 Cb 1.70 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.16 30.63 2kck h TRP 43 CO 0.03 1.21 0.40 1.25 -0.00 0.00 0.00 178.44 181.34 2kck h LEU 44 N 0.48 0.56 -0.28 -4.49 5.85 0.64 -1.16 115.31 116.91 2kck h LEU 44 Ca -0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2kck h LEU 44 Cb 1.23 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2kck h LEU 44 CO 0.13 0.32 0.08 0.24 -0.34 0.00 0.00 178.44 178.87 2kck h MET 45 N 0.69 0.43 -0.38 1.25 2.86 -1.56 -2.92 114.93 115.30 2kck h MET 45 Ca 0.36 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.98 2kck h MET 45 Cb 0.34 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 2kck h MET 45 CO -0.25 0.50 -0.08 -0.22 1.06 0.00 0.00 176.91 177.92 2kck h LYS 46 N 0.28 0.02 -0.52 1.72 1.63 -0.94 -1.30 116.57 117.46 2kck h LYS 46 Ca 0.09 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.99 2kck h LYS 46 Cb 0.25 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.80 2kck h LYS 46 CO -0.00 0.01 0.04 0.78 -3.45 0.00 0.00 179.45 176.83 2kck h GLY 47 N 0.02 0.58 1.46 5.01 0.00 -1.11 0.17 103.07 109.21 2kck h GLY 47 Ca 0.19 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.57 2kck h GLY 47 CO -0.38 -0.12 0.32 0.50 0.00 0.00 0.00 176.54 176.86 2kck h LYS 48 N 0.16 0.57 0.14 4.80 1.57 -1.12 -1.61 116.57 121.08 2kck h LYS 48 Ca 0.27 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2kck h LYS 48 Cb 0.39 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2kck h LYS 48 CO -0.40 0.38 -0.07 0.00 -0.57 0.00 0.00 179.45 178.79 2kck h ALA 49 N 1.71 -0.18 -0.90 3.86 0.00 0.37 -0.19 119.26 123.92 2kck h ALA 49 Ca 0.19 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kck h ALA 49 Cb 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2kck h ALA 49 CO -0.05 -0.55 0.60 -0.07 0.00 0.00 0.00 179.25 179.18 2kck h LEU 50 N -0.29 1.02 -0.05 0.00 -0.00 -0.95 -1.35 115.31 113.70 2kck h LEU 50 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kck h LEU 50 Cb 0.23 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2kck h LEU 50 CO 0.03 0.73 0.01 0.22 -0.00 0.00 0.00 178.44 179.43 2kck h TYR 51 N 1.20 0.08 -0.16 1.13 3.20 -1.02 0.13 116.97 121.53 2kck h TYR 51 Ca 0.34 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.24 2kck h TYR 51 Cb -0.09 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2kck h TYR 51 CO -0.00 0.25 0.11 -0.97 -1.64 0.00 0.00 178.16 175.92 2kck h ASN 52 N -0.12 0.06 0.00 -2.11 -0.73 -0.62 0.12 115.58 112.18 2kck h ASN 52 Ca 0.02 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2kck h ASN 52 Cb 0.21 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.79 2kck h ASN 52 CO -0.00 0.04 0.00 0.18 -0.37 0.00 0.00 177.43 177.28 2kck n LEU 53 N -4.50 0.16 -0.99 0.34 4.77 -0.55 -4.82 117.00 111.41 2kck n LEU 53 Ca 0.00 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 2kck n LEU 53 Cb 0.20 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2kck n LEU 53 CO 0.35 0.04 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.71 2kck n GLU 54 N -0.42 -0.73 -3.01 3.23 1.02 0.43 -4.96 120.64 116.22 2kck n GLU 54 Ca 0.00 0.54 -0.33 0.00 -0.02 0.00 0.00 57.16 57.35 2kck n GLU 54 Cb 0.04 -4.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.90 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2kck n ARG 55 N -2.09 3.82 -0.31 3.49 5.12 0.43 -4.84 116.66 122.27 2kck n ARG 55 Ca -0.11 -4.72 0.06 0.00 -1.93 0.00 0.00 57.85 51.16 2kck n ARG 55 Cb 0.52 -2.35 0.26 0.00 -1.16 0.00 0.00 32.46 29.74 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 4.04 1.03 0.08 -1.55 -1.99 -1.82 0.48 116.97 117.24 2kck h TYR 56 Ca 0.26 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 2kck h TYR 56 Cb 0.52 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.92 2kck h TYR 56 CO 0.96 0.48 -0.04 0.93 -0.00 0.00 0.00 178.16 180.49 2kck h GLU 57 N 0.96 -0.11 -0.63 4.88 5.08 -1.94 -1.65 114.58 121.19 2kck h GLU 57 Ca 0.42 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 2kck h GLU 57 Cb 0.35 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kck h GLU 57 CO -0.18 0.14 0.07 0.93 -1.00 0.00 0.00 179.01 178.97 2kck h GLU 58 N -0.35 1.05 -0.74 2.33 5.08 -1.77 -2.76 114.58 117.42 2kck h GLU 58 Ca -0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 2kck h GLU 58 Cb 0.30 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2kck h GLU 58 CO 0.02 0.98 0.46 0.00 -1.00 0.00 0.00 179.01 179.47 2kck h ALA 59 N 1.09 0.97 -0.84 3.43 0.00 0.02 -1.70 119.26 122.23 2kck h ALA 59 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2kck h ALA 59 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2kck h ALA 59 CO 0.02 0.25 0.55 0.28 0.00 0.00 0.00 179.25 180.35 2kck h VAL 60 N 0.90 1.19 -0.67 0.00 2.07 -1.02 -1.60 116.25 117.12 2kck h VAL 60 Ca 0.30 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2kck h VAL 60 Cb 0.03 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2kck h VAL 60 CO -0.11 0.20 0.44 -0.78 0.02 0.00 0.00 177.57 177.34 2kck h ASP 61 N 1.12 0.58 0.20 0.57 3.58 -1.06 0.88 116.42 122.29 2kck h ASP 61 Ca 0.32 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 2kck h ASP 61 Cb -0.09 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2kck h ASP 61 CO -0.08 0.37 -0.10 0.00 -2.88 0.00 0.00 179.24 176.55 2kck h TYR 63 N -0.69 0.85 -0.50 0.00 0.05 -0.99 -0.70 116.97 114.98 2kck h TYR 63 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kck h TYR 63 Cb 0.48 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2kck h TYR 63 CO 0.05 0.44 0.33 -0.91 -1.05 0.00 0.00 178.16 177.02 2kck h ASN 64 N 0.86 0.58 -0.75 3.88 2.35 -0.83 -1.37 115.58 120.30 2kck h ASN 64 Ca 0.32 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.09 2kck h ASN 64 Cb 0.12 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 2kck h ASN 64 CO -0.15 0.42 0.48 0.22 -1.65 0.00 0.00 177.43 176.74 2kck h TYR 65 N 0.68 0.89 -0.28 1.19 5.03 -0.30 0.56 116.97 124.74 2kck h TYR 65 Ca 0.18 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.43 2kck h TYR 65 Cb -0.08 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 37.91 2kck h TYR 65 CO 0.00 0.50 -0.16 0.28 -1.32 0.00 0.00 178.16 177.46 2kck h VAL 66 N 0.92 1.30 -0.57 1.81 2.07 -1.02 0.16 116.25 120.92 2kck h VAL 66 Ca 0.31 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2kck h VAL 66 Cb 0.03 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2kck h VAL 66 CO -0.12 0.40 0.06 0.40 0.02 0.00 0.00 177.57 178.33 2kck h ILE 67 N 0.35 1.26 0.00 4.57 2.04 -0.89 -0.78 117.51 124.05 2kck h ILE 67 Ca 0.06 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2kck h ILE 67 Cb 0.69 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2kck h ILE 67 CO 0.05 0.38 0.00 0.59 0.00 0.00 0.00 178.15 179.16 2kck n ASN 68 N -4.29 0.00 -0.23 1.72 5.03 0.19 -4.08 115.26 113.60 2kck n ASN 68 Ca 0.02 0.61 0.03 0.00 0.87 0.00 0.00 54.58 56.11 2kck n ASN 68 Cb 0.30 -0.47 0.12 0.00 -1.02 0.00 0.00 39.78 38.71 2kck n ASN 68 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2kck h VAL 69 N 0.00 0.41 -3.33 2.41 2.07 -0.81 -3.37 116.25 113.62 2kck h VAL 69 Ca 0.00 -0.03 -0.63 0.00 0.82 0.00 0.00 66.70 66.86 2kck h VAL 69 Cb 0.00 0.30 -0.20 0.00 -1.52 0.00 0.00 31.29 29.87 2kck h VAL 69 CO 0.00 0.02 -0.63 -0.63 0.02 0.00 0.00 177.57 176.35 2kck s ILE 70 N -6.15 4.22 -0.40 4.57 1.01 -0.30 -4.96 121.20 119.19 2kck s ILE 70 Ca -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2kck s ILE 70 Cb 0.20 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2kck s ILE 70 CO 0.74 0.47 0.17 -1.84 0.00 0.00 0.00 174.94 174.49 2kck n GLU 71 N 3.68 0.22 0.00 2.79 0.28 -1.26 -3.91 120.64 122.44 2kck n GLU 71 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2kck n GLU 71 Cb 0.52 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.12 2kck n GLU 71 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kck n ASP 72 N 0.69 0.00 -4.18 -1.84 -0.08 -1.26 -4.72 116.55 105.16 2kck n ASP 72 Ca 0.00 0.33 -0.37 0.00 -1.51 0.00 0.00 54.79 53.24 2kck n ASP 72 Cb 0.09 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.48 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 -0.55 -0.88 0.00 -0.67 2.13 -1.26 -4.51 120.64 114.90 2kck n GLU 73 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2kck n GLU 73 Cb 0.00 -4.35 0.00 0.00 0.27 0.00 0.00 31.44 27.36 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 -3.69 -0.46 -1.63 4.31 9.36 -1.26 -5.08 117.16 118.72 2kck n TYR 74 Ca 0.10 0.00 -0.61 0.00 3.32 0.00 0.00 57.90 60.71 2kck n TYR 74 Cb 0.42 0.27 -0.09 0.00 -0.63 0.00 0.00 39.34 39.31 2kck n TYR 74 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kck n ASN 75 N -2.04 1.64 0.22 2.98 4.05 -1.26 -4.79 115.26 116.06 2kck n ASN 75 Ca 0.00 1.00 0.09 0.00 0.45 0.00 0.00 54.58 56.11 2kck n ASN 75 Cb 0.00 -1.01 0.52 0.00 1.23 0.00 0.00 39.78 40.52 2kck n ASN 75 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 2kck h LYS 76 N 7.10 0.00 -0.14 1.20 5.09 -1.98 -2.50 116.57 125.33 2kck h LYS 76 Ca -0.38 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.31 2kck h LYS 76 Cb 1.36 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.68 2kck h LYS 76 CO 1.00 0.24 -0.11 0.22 -2.09 0.00 0.00 179.45 178.71 2kck h ASP 77 N 0.00 0.34 -0.11 7.07 1.82 -1.97 0.40 116.42 123.97 2kck h ASP 77 Ca -0.00 -0.45 -0.01 0.00 -0.39 0.00 0.00 57.03 56.18 2kck h ASP 77 Cb 0.60 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 2kck h ASP 77 CO 0.03 0.72 0.03 0.58 -1.61 0.00 0.00 179.24 178.99 2kck h VAL 78 N -0.03 1.19 -0.04 2.25 2.07 -1.90 -0.13 116.25 119.66 2kck h VAL 78 Ca 0.03 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kck h VAL 78 Cb 0.61 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2kck h VAL 78 CO 0.03 0.17 0.02 -0.50 0.02 0.00 0.00 177.57 177.31 2kck h TRP 79 N -0.03 0.05 -0.83 1.57 4.06 -1.49 0.81 115.95 120.09 2kck h TRP 79 Ca 0.03 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.03 2kck h TRP 79 Cb 0.24 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.33 2kck h TRP 79 CO 0.00 0.12 0.52 0.00 -3.56 0.00 0.00 178.44 175.52 2kck h ALA 80 N 0.93 1.11 -0.27 1.49 0.00 -0.88 0.17 119.26 121.81 2kck h ALA 80 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kck h ALA 80 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kck h ALA 80 CO -0.00 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.58 2kck h ALA 81 N 1.37 0.36 -0.90 0.00 0.00 -0.72 -2.96 119.26 116.40 2kck h ALA 81 Ca 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2kck h ALA 81 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2kck h ALA 81 CO -0.15 0.06 0.60 -0.22 0.00 0.00 0.00 179.25 179.54 2kck h LYS 82 N 0.26 1.19 -0.22 0.00 3.64 -0.30 -2.71 116.57 118.43 2kck h LYS 82 Ca 0.08 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2kck h LYS 82 Cb 0.36 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2kck h LYS 82 CO 0.01 0.79 -0.17 0.00 -2.27 0.00 0.00 179.45 177.81 2kck h ALA 83 N 1.33 -0.02 -0.91 5.00 0.00 -0.83 -0.80 119.26 123.04 2kck h ALA 83 Ca 0.33 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.54 2kck h ALA 83 Cb -0.14 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 2kck h ALA 83 CO -0.07 -0.59 0.42 -0.44 0.00 0.00 0.00 179.25 178.57 2kck h ASP 84 N -0.17 0.39 -0.74 0.00 3.32 -1.33 0.61 116.42 118.51 2kck h ASP 84 Ca 0.13 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 2kck h ASP 84 Cb 0.36 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2kck h ASP 84 CO -0.32 0.03 0.30 0.00 -1.72 0.00 0.00 179.24 177.53 2kck h ALA 85 N 1.70 1.11 0.00 3.45 0.00 -1.11 -2.10 119.26 122.32 2kck h ALA 85 Ca 0.56 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2kck h ALA 85 Cb 1.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kck h ALA 85 CO -0.51 0.64 -0.33 -0.07 0.00 0.00 0.00 179.25 178.98 2kck h LEU 86 N 1.09 0.00 -1.83 0.00 3.38 0.54 -3.01 115.31 115.48 2kck h LEU 86 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kck h LEU 86 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kck h LEU 86 CO -0.02 0.33 0.00 -0.09 0.09 0.00 0.00 178.44 178.74 2kck h ARG 87 N 0.00 0.00 -1.91 1.13 2.43 0.70 -3.26 114.38 113.47 2kck h ARG 87 Ca -0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 2kck h ARG 87 Cb 1.06 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.24 2kck h ARG 87 CO 0.04 0.00 -1.03 0.98 -1.51 0.00 0.00 179.97 178.45 2kck n TYR 88 N -2.73 -0.74 -4.28 2.20 9.36 -1.14 -5.03 117.16 114.80 2kck n TYR 88 Ca -0.01 -3.35 -0.17 0.00 3.32 0.00 0.00 57.90 57.70 2kck n TYR 88 Cb 0.15 -0.07 -0.10 0.00 -0.63 0.00 0.00 39.34 38.68 2kck n TYR 88 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2kck s ILE 89 N -0.79 1.39 0.34 2.97 2.07 -1.23 -4.94 121.20 121.00 2kck s ILE 89 Ca 0.34 -2.00 -0.28 0.00 -1.41 0.00 0.00 60.65 57.30 2kck s ILE 89 Cb 0.15 -1.81 -0.12 0.00 0.13 0.00 0.00 42.46 40.81 2kck s ILE 89 CO -0.14 -0.60 1.31 -1.84 -1.91 0.00 0.00 174.94 171.77 2kck n GLU 90 N -0.02 2.17 -0.60 3.50 0.28 -1.26 -4.66 120.64 120.05 2kck n GLU 90 Ca -0.11 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 2kck n GLU 90 Cb 0.59 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 31.10 2kck n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kck n GLY 91 N 0.82 -3.35 3.00 -1.84 0.00 -1.26 -4.90 105.19 97.66 2kck n GLY 91 Ca 0.05 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.65 1.71 -0.49 1.61 1.02 -1.26 -4.96 119.74 112.72 2kck s LYS 92 Ca 0.00 -2.15 0.04 0.00 0.02 0.00 0.00 55.97 53.88 2kck s LYS 92 Cb 0.00 -3.28 0.41 0.00 -0.52 0.00 0.00 37.83 34.43 2kck s LYS 92 CO 0.00 -1.01 1.16 0.39 -0.92 0.00 0.00 175.35 174.97 2kck n GLU 93 N 3.85 3.38 -2.03 1.68 1.02 -1.26 -4.91 120.64 122.38 2kck n GLU 93 Ca 0.04 -4.49 -0.01 0.00 -0.02 0.00 0.00 57.16 52.68 2kck n GLU 93 Cb 0.38 -2.25 -0.00 0.00 -0.02 0.00 0.00 31.44 29.55 2kck n GLU 93 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2kck n VAL 94 N -0.45 0.00 -0.03 2.62 0.24 -1.26 -4.72 118.33 114.73 2kck n VAL 94 Ca 0.39 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.56 2kck n VAL 94 Cb 0.60 -0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.87 2kck n VAL 94 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2kck h GLU 95 N -0.02 0.13 -0.23 7.34 4.57 -1.92 -2.91 114.58 121.54 2kck h GLU 95 Ca -0.01 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2kck h GLU 95 Cb 0.75 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2kck h GLU 95 CO 0.02 0.60 0.46 0.00 -1.18 0.00 0.00 179.01 178.91 2kck h ALA 96 N 0.52 1.80 -0.04 2.92 0.00 -1.85 -0.17 119.26 122.45 2kck h ALA 96 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kck h ALA 96 Cb 0.58 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kck h ALA 96 CO 0.01 -0.58 -0.03 1.49 0.00 0.00 0.00 179.25 180.15 2kck h GLU 97 N 0.00 0.08 -0.48 0.00 4.81 -1.88 0.84 114.58 117.96 2kck h GLU 97 Ca 0.11 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2kck h GLU 97 Cb 1.02 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2kck h GLU 97 CO -0.00 0.51 0.26 0.82 -0.73 0.00 0.00 179.01 179.86 2kck h ILE 98 N -0.34 0.99 -0.04 2.32 5.03 -1.09 0.62 117.51 124.99 2kck h ILE 98 Ca 0.01 -0.17 -0.01 0.00 -0.12 0.00 0.00 64.86 64.57 2kck h ILE 98 Cb 0.49 0.44 -0.00 0.00 -3.03 0.00 0.00 36.82 34.71 2kck h ILE 98 CO 0.01 0.09 -0.00 0.00 -0.68 0.00 0.00 178.15 177.57 2kck h ALA 99 N 1.25 0.06 -0.61 1.87 0.00 -1.51 0.31 119.26 120.63 2kck h ALA 99 Ca 0.21 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2kck h ALA 99 Cb 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2kck h ALA 99 CO -0.13 -0.26 0.23 1.49 0.00 0.00 0.00 179.25 180.58 2kck h GLU 100 N -0.23 0.40 -0.24 0.00 4.81 -0.55 0.38 114.58 119.15 2kck h GLU 100 Ca 0.01 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2kck h GLU 100 Cb 0.35 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2kck h GLU 100 CO 0.00 0.27 -0.43 0.00 -0.73 0.00 0.00 179.01 178.12 2kck h ALA 101 N 1.42 0.38 -0.59 2.92 0.00 -0.80 -1.38 119.26 121.21 2kck h ALA 101 Ca 0.31 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kck h ALA 101 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kck h ALA 101 CO -0.30 0.50 0.36 -0.09 0.00 0.00 0.00 179.25 179.72 2kck h ARG 102 N 0.44 0.79 -0.27 0.00 9.65 0.42 0.90 114.38 126.32 2kck h ARG 102 Ca 0.01 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.66 2kck h ARG 102 Cb 1.03 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2kck h ARG 102 CO 0.10 0.56 -0.51 0.00 2.80 0.00 0.00 179.97 182.92 2kck h ALA 103 N 1.19 0.60 -0.49 2.80 0.00 -0.29 -2.93 119.26 120.14 2kck h ALA 103 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kck h ALA 103 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kck h ALA 103 CO -0.04 0.68 0.00 1.17 0.00 0.00 0.00 179.25 181.06 2kck n LYS 104 N -4.00 3.64 -1.76 0.00 4.81 -0.52 -4.90 118.16 115.43 2kck n LYS 104 Ca -0.03 -2.39 -0.43 0.00 -0.87 0.00 0.00 58.31 54.58 2kck n LYS 104 Cb 0.60 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 2kck n LYS 104 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kck s LEU 105 N -1.87 3.49 0.00 3.14 1.98 0.31 -4.89 118.68 120.84 2kck s LEU 105 Ca 0.42 1.69 0.00 0.00 -2.89 0.00 0.00 54.13 53.35 2kck s LEU 105 Cb 0.30 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.63 2kck s LEU 105 CO 0.16 -1.84 0.03 -0.62 -1.89 0.00 0.00 176.35 172.19 2kck n GLU 106 N 8.60 0.00 0.00 1.98 1.02 -1.26 -4.99 120.64 125.98 2kck n GLU 106 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2kck n GLU 106 Cb 0.46 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 2kck n GLU 106 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kck n HIS 107 N -0.45 0.00 -2.27 -0.32 -0.00 -1.26 -5.08 115.22 105.84 2kck n HIS 107 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2kck n HIS 107 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 2kck n HIS 107 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kck s HIS 108 N -0.11 2.27 0.18 1.57 3.76 -1.26 -4.88 115.29 116.83 2kck s HIS 108 Ca 0.00 0.66 -0.09 0.00 -0.15 0.00 0.00 55.06 55.48 2kck s HIS 108 Cb 0.00 -4.23 0.06 0.00 1.11 0.00 0.00 32.58 29.51 2kck s HIS 108 CO 0.00 -2.22 1.62 1.25 -0.85 0.00 0.00 174.74 174.54 2kck h HIS 109 N 11.08 1.17 -3.45 1.40 2.76 -2.03 -3.43 115.15 122.66 2kck h HIS 109 Ca -0.29 -0.22 -0.53 0.00 -2.20 0.00 0.00 60.37 57.13 2kck h HIS 109 Cb 1.12 -0.30 0.07 0.00 1.55 0.00 0.00 27.41 29.85 2kck h HIS 109 CO 0.96 1.05 0.78 -1.01 -1.30 0.00 0.00 177.93 178.41 2kck s HIS 110 N -4.94 2.94 0.44 5.26 3.76 -1.26 -4.98 115.29 116.51 2kck s HIS 110 Ca -0.12 1.02 -0.22 0.00 -0.15 0.00 0.00 55.06 55.59 2kck s HIS 110 Cb 0.13 -3.87 -0.09 0.00 1.11 0.00 0.00 32.58 29.86 2kck s HIS 110 CO 0.86 -2.81 1.03 -3.38 -0.85 0.00 0.00 174.74 169.60 2kck s HIS 111 N -0.17 3.15 -2.00 1.40 0.00 -1.26 -5.14 115.29 111.27 2kck s HIS 111 Ca 0.59 1.61 0.04 0.00 -3.00 0.00 0.00 55.06 54.30 2kck s HIS 111 Cb -0.43 -3.06 0.23 0.00 -4.00 0.00 0.00 32.58 25.32 2kck s HIS 111 CO 0.46 -0.65 0.71 1.58 -1.00 0.00 0.00 174.74 175.84