#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kot s ALA 2 N 0.00 3.94 0.32 3.17 0.00 -1.26 -5.09 121.76 122.83 2kot s ALA 2 Ca 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 2kot s ALA 2 Cb 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 2kot s ALA 2 CO 0.00 0.31 0.72 0.00 0.00 0.00 0.00 175.76 176.79 2kot s ALA 3 N -1.93 3.34 -0.03 0.00 0.00 -1.26 -5.11 121.76 116.78 2kot s ALA 3 Ca 0.34 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 2kot s ALA 3 Cb -0.09 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2kot s ALA 3 CO 0.29 0.34 0.14 -2.00 0.00 0.00 0.00 175.76 174.53 2kot s GLU 4 N -2.99 0.34 0.39 0.00 2.12 -1.26 -4.93 118.70 112.37 2kot s GLU 4 Ca 0.54 -0.12 -0.26 0.00 0.36 0.00 0.00 54.97 55.49 2kot s GLU 4 Cb -0.10 0.15 -0.09 0.00 0.26 0.00 0.00 34.13 34.35 2kot s GLU 4 CO 0.18 -0.07 1.21 -2.14 -0.54 0.00 0.00 175.26 173.90 2kot s PRO 5 N -0.70 4.08 0.00 4.30 0.02 -1.26 -4.91 135.00 136.54 2kot s PRO 5 Ca -0.08 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.90 2kot s PRO 5 Cb -0.05 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.72 2kot s PRO 5 CO 0.01 -0.33 0.00 1.28 -0.33 0.00 0.00 177.00 177.63 2kot n LEU 6 N 0.20 0.00 -4.13 -5.54 4.77 -1.26 -5.04 117.00 106.01 2kot n LEU 6 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2kot n LEU 6 Cb 0.45 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2kot n LEU 6 CO 0.53 -0.39 -0.15 -0.89 -1.33 0.00 0.00 177.39 175.15 2kot s THR 7 N -1.79 0.03 0.20 -5.08 2.01 -1.26 -5.00 115.64 104.75 2kot s THR 7 Ca 0.00 -1.81 -0.11 0.00 0.31 0.00 0.00 61.69 60.08 2kot s THR 7 Cb 0.00 -2.28 0.14 0.00 0.01 0.00 0.00 72.50 70.37 2kot s THR 7 CO 0.00 -0.13 1.71 -0.08 -0.69 0.00 0.00 174.62 175.43 2kot h GLU 8 N 2.60 0.25 0.10 4.92 4.81 -2.01 0.18 114.58 125.43 2kot h GLU 8 Ca -0.34 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.60 2kot h GLU 8 Cb 1.24 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 30.59 2kot h GLU 8 CO 0.51 0.17 -1.17 -0.07 -0.73 0.00 0.00 179.01 177.71 2kot h LEU 9 N 0.26 0.86 -1.16 1.64 3.38 -2.00 -2.95 115.31 115.33 2kot h LEU 9 Ca 0.29 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 2kot h LEU 9 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2kot h LEU 9 CO -0.36 1.58 0.08 -0.33 0.09 0.00 0.00 178.44 179.49 2kot h GLU 10 N 0.25 0.66 -0.02 1.13 5.08 -1.92 -2.68 114.58 117.08 2kot h GLU 10 Ca -0.17 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 2kot h GLU 10 Cb 1.85 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 2kot h GLU 10 CO 0.22 0.63 -0.64 1.49 -1.00 0.00 0.00 179.01 179.71 2kot h GLU 11 N 0.64 0.09 0.30 2.33 4.81 -0.71 -2.62 114.58 119.43 2kot h GLU 11 Ca 0.14 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2kot h GLU 11 Cb 0.28 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2kot h GLU 11 CO 0.00 0.70 -0.14 0.77 -0.73 0.00 0.00 179.01 179.60 2kot h SER 12 N 0.06 -0.34 1.17 1.04 0.02 -1.29 0.16 113.55 114.37 2kot h SER 12 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kot h SER 12 Cb 1.14 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2kot h SER 12 CO 0.09 -0.23 0.00 2.30 -1.14 0.00 0.00 176.83 177.85 2kot n ILE 13 N -5.26 0.65 0.03 3.27 -6.64 -1.19 -3.30 119.36 106.92 2kot n ILE 13 Ca -0.10 -0.08 -0.14 0.00 -1.77 0.00 0.00 62.75 60.66 2kot n ILE 13 Cb 0.19 -0.79 -0.14 0.00 -1.44 0.00 0.00 39.64 37.45 2kot n ILE 13 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2kot h GLU 14 N 0.00 0.16 -0.24 6.28 4.22 -1.17 -3.35 114.58 120.47 2kot h GLU 14 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2kot h GLU 14 Cb 0.58 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kot h GLU 14 CO 0.00 0.95 0.16 1.15 -2.18 0.00 0.00 179.01 179.09 2kot h THR 15 N 0.04 1.06 0.00 0.32 2.02 -0.67 -0.97 112.91 114.71 2kot h THR 15 Ca -0.26 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 2kot h THR 15 Cb 1.99 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2kot h THR 15 CO 0.13 0.06 -0.35 0.58 0.37 0.00 0.00 175.52 176.30 2kot h VAL 16 N 0.33 0.96 0.00 3.16 2.07 -1.70 -2.72 116.25 118.35 2kot h VAL 16 Ca 0.09 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2kot h VAL 16 Cb -0.04 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2kot h VAL 16 CO -0.02 0.35 -0.04 0.58 0.02 0.00 0.00 177.57 178.46 2kot h VAL 17 N 0.00 0.00 -0.23 2.57 2.07 -1.38 -3.33 116.25 115.96 2kot h VAL 17 Ca -0.00 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2kot h VAL 17 Cb 0.77 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2kot h VAL 17 CO 0.05 0.00 0.20 0.71 0.02 0.00 0.00 177.57 178.55 2kot h THR 18 N -0.45 0.64 0.01 2.57 1.35 -1.38 0.22 112.91 115.86 2kot h THR 18 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2kot h THR 18 Cb 0.04 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2kot h THR 18 CO 0.00 0.00 -0.12 0.74 -0.25 0.00 0.00 175.52 175.89 2kot h THR 19 N 0.00 1.67 -0.01 6.82 2.02 -1.68 -3.39 112.91 118.35 2kot h THR 19 Ca 0.11 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2kot h THR 19 Cb 0.51 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 2kot h THR 19 CO -0.00 0.56 -0.64 0.33 0.37 0.00 0.00 175.52 176.14 2kot n PHE 20 N -4.58 0.00 0.31 3.16 7.35 -1.14 -4.33 117.46 118.23 2kot n PHE 20 Ca -0.10 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.74 2kot n PHE 20 Cb 0.48 -0.04 0.60 0.00 0.35 0.00 0.00 39.48 40.87 2kot n PHE 20 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2kot h PHE 21 N 1.16 0.00 -0.32 -5.13 -1.00 -1.14 -2.35 116.94 108.16 2kot h PHE 21 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 2kot h PHE 21 Cb 0.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 2kot h PHE 21 CO 0.00 0.00 0.04 1.15 -1.61 0.00 0.00 178.31 177.89 2kot h THR 22 N 0.00 1.17 0.09 -1.55 2.02 -1.79 -2.37 112.91 110.49 2kot h THR 22 Ca 0.00 -0.65 -0.36 0.00 0.77 0.00 0.00 66.41 66.17 2kot h THR 22 Cb 0.52 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2kot h THR 22 CO 0.00 0.23 -2.03 0.49 0.37 0.00 0.00 175.52 174.58 2kot n PHE 23 N -4.32 1.06 -0.10 3.16 3.72 -1.11 -4.33 117.46 115.54 2kot n PHE 23 Ca 0.01 0.24 0.09 0.00 -0.05 0.00 0.00 57.45 57.75 2kot n PHE 23 Cb 0.21 -1.14 0.45 0.00 -0.94 0.00 0.00 39.48 38.05 2kot n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kot h ALA 24 N 0.19 1.89 0.00 4.37 0.00 -1.38 -1.92 119.26 122.41 2kot h ALA 24 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kot h ALA 24 Cb 2.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2kot h ALA 24 CO 0.07 -0.01 0.00 0.07 0.00 0.00 0.00 179.25 179.38 2kot h ARG 25 N 0.52 0.00 0.50 0.00 0.11 -1.54 -3.33 114.38 110.64 2kot h ARG 25 Ca 0.27 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.33 2kot h ARG 25 Cb 0.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 2kot h ARG 25 CO -0.08 0.00 -0.31 0.37 0.10 0.00 0.00 179.97 180.05 2kot h GLN 26 N 0.00 -0.74 -5.41 0.08 4.15 -1.55 -3.41 115.11 108.22 2kot h GLN 26 Ca 0.00 0.05 -0.49 0.00 0.77 0.00 0.00 58.65 58.98 2kot h GLN 26 Cb 0.48 0.17 -0.28 0.00 0.21 0.00 0.00 27.48 28.06 2kot h GLN 26 CO 0.00 -0.49 -0.81 -1.21 -1.93 0.00 0.00 178.83 174.38 2kot s GLU 27 N -6.05 1.16 -0.26 1.69 0.41 -1.25 -4.92 118.70 109.49 2kot s GLU 27 Ca -0.17 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 53.78 2kot s GLU 27 Cb 0.05 -1.14 -0.01 0.00 -1.78 0.00 0.00 34.13 31.24 2kot s GLU 27 CO 0.63 0.31 0.24 0.41 -0.49 0.00 0.00 175.26 176.35 2kot n GLY 28 N 2.49 -0.35 1.16 -1.39 0.00 -1.26 -4.11 105.19 101.72 2kot n GLY 28 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.02 2kot n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kot n ARG 29 N -1.47 -2.50 -0.08 1.61 3.00 -1.26 -4.12 116.66 111.84 2kot n ARG 29 Ca -0.01 1.84 -0.18 0.00 -0.00 0.00 0.00 57.85 59.50 2kot n ARG 29 Cb 0.51 -2.99 -0.12 0.00 0.00 0.00 0.00 32.46 29.86 2kot n ARG 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2kot h LYS 30 N -1.11 0.01 0.00 -0.14 1.79 -1.86 -3.39 116.57 111.88 2kot h LYS 30 Ca -0.06 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 2kot h LYS 30 Cb 1.09 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2kot h LYS 30 CO 0.04 1.01 -0.46 -0.44 -1.08 0.00 0.00 179.45 178.52 2kot h ASP 31 N -0.97 0.00 -3.34 0.86 3.32 -1.90 -3.33 116.42 111.06 2kot h ASP 31 Ca -0.19 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.30 2kot h ASP 31 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 2kot h ASP 31 CO -0.11 0.46 -0.08 -0.55 -1.72 0.00 0.00 179.24 177.24 2kot s SER 32 N -6.44 6.81 0.35 6.45 0.15 -1.26 -4.31 113.70 115.45 2kot s SER 32 Ca 0.02 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.74 2kot s SER 32 Cb 0.09 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 2kot s SER 32 CO 0.72 0.08 0.57 -0.76 1.20 0.00 0.00 173.24 175.05 2kot s LEU 33 N -2.05 3.99 0.46 3.45 1.02 0.55 -4.53 118.68 121.56 2kot s LEU 33 Ca 0.39 0.53 -0.08 0.00 0.02 0.00 0.00 54.13 54.99 2kot s LEU 33 Cb -0.15 -3.39 -0.05 0.00 0.02 0.00 0.00 46.19 42.62 2kot s LEU 33 CO 0.19 -0.30 0.80 -0.55 0.02 0.00 0.00 176.35 176.51 2kot s SER 34 N -3.90 6.37 0.36 2.29 0.15 -1.26 -1.13 113.70 116.58 2kot s SER 34 Ca 0.41 1.05 0.11 0.00 0.70 0.00 0.00 55.95 58.22 2kot s SER 34 Cb -0.10 -2.30 0.68 0.00 -1.71 0.00 0.00 66.02 62.60 2kot s SER 34 CO 0.36 -0.52 1.82 1.62 1.20 0.00 0.00 173.24 177.72 2kot h VAL 35 N 0.56 1.26 0.00 4.45 3.04 -1.94 -3.13 116.25 120.48 2kot h VAL 35 Ca -0.47 -1.22 -0.27 0.00 -1.01 0.00 0.00 66.70 63.74 2kot h VAL 35 Cb 1.20 1.59 -0.05 0.00 -2.01 0.00 0.00 31.29 32.02 2kot h VAL 35 CO 0.63 0.36 -1.60 -1.13 -1.01 0.00 0.00 177.57 174.81 2kot h ASN 36 N 0.09 0.00 -0.58 3.17 -1.24 -1.94 -3.38 115.58 111.69 2kot h ASN 36 Ca 0.01 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.93 2kot h ASN 36 Cb 0.63 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 2kot h ASN 36 CO 0.05 0.93 0.03 -0.33 -1.29 0.00 0.00 177.43 176.81 2kot h GLU 37 N 0.00 1.01 -0.04 6.67 5.08 -1.95 -2.83 114.58 122.51 2kot h GLU 37 Ca -0.25 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.73 2kot h GLU 37 Cb 1.93 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 2kot h GLU 37 CO 0.08 0.99 -0.35 0.27 -1.00 0.00 0.00 179.01 179.00 2kot h PHE 38 N 0.91 0.09 -0.48 4.33 -5.15 -1.74 -2.21 116.94 112.69 2kot h PHE 38 Ca 0.17 -0.02 -0.12 0.00 -0.20 0.00 0.00 57.97 57.80 2kot h PHE 38 Cb 0.52 -0.02 -0.01 0.00 0.22 0.00 0.00 35.95 36.65 2kot h PHE 38 CO 0.04 0.42 -0.19 -0.22 -2.00 0.00 0.00 178.31 176.36 2kot h LYS 39 N 0.07 0.96 0.00 6.09 3.64 -1.70 -2.84 116.57 122.79 2kot h LYS 39 Ca 0.01 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 2kot h LYS 39 Cb 0.65 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2kot h LYS 39 CO 0.05 1.05 -0.48 0.93 -2.27 0.00 0.00 179.45 178.73 2kot h GLU 40 N 0.83 0.00 -0.58 1.90 5.08 -1.28 -2.74 114.58 117.79 2kot h GLU 40 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2kot h GLU 40 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2kot h GLU 40 CO 0.06 0.48 -0.01 1.25 -1.00 0.00 0.00 179.01 179.78 2kot h LEU 41 N 0.00 1.01 -0.03 1.33 5.85 -1.19 -3.03 115.31 119.24 2kot h LEU 41 Ca -0.00 -0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.25 2kot h LEU 41 Cb 0.87 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2kot h LEU 41 CO 0.06 1.06 -0.87 0.58 -0.34 0.00 0.00 178.44 178.94 2kot h VAL 42 N 0.94 1.50 -0.97 1.05 2.07 -1.45 -1.08 116.25 118.31 2kot h VAL 42 Ca 0.17 -3.09 -0.60 0.00 0.82 0.00 0.00 66.70 64.00 2kot h VAL 42 Cb 0.56 2.72 -0.30 0.00 -1.52 0.00 0.00 31.29 32.75 2kot h VAL 42 CO 0.03 0.85 0.70 0.41 0.02 0.00 0.00 177.57 179.58 2kot n THR 43 N -3.33 3.40 0.20 2.57 -1.04 -1.04 -1.49 114.28 113.55 2kot n THR 43 Ca 0.00 -2.58 0.00 0.00 -2.04 0.00 0.00 64.05 59.44 2kot n THR 43 Cb 0.88 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 2kot n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2kot n GLN 44 N -1.01 0.00 0.00 -2.82 7.27 -1.15 -4.96 117.38 114.70 2kot n GLN 44 Ca 0.60 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.72 2kot n GLN 44 Cb 1.08 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.68 2kot n GLN 44 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2kot n GLN 45 N -3.36 3.34 -1.75 3.69 7.27 -1.08 -4.68 117.38 120.81 2kot n GLN 45 Ca 0.00 -0.10 -0.03 0.00 0.07 0.00 0.00 57.00 56.94 2kot n GLN 45 Cb 0.00 -1.01 0.07 0.00 2.41 0.00 0.00 30.24 31.72 2kot n GLN 45 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2kot n LEU 46 N -1.08 2.45 0.08 1.69 7.94 -0.43 -4.91 117.00 122.74 2kot n LEU 46 Ca 0.02 -3.35 -0.15 0.00 -1.11 0.00 0.00 56.01 51.42 2kot n LEU 46 Cb 0.17 -0.08 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 2kot n LEU 46 CO 0.20 1.22 0.10 1.55 -1.11 0.00 0.00 177.39 179.35 2kot h PRO 47 N 1.69 0.42 0.00 1.96 0.13 -1.52 -3.17 132.00 131.51 2kot h PRO 47 Ca -0.02 -0.51 -0.14 0.00 -0.87 0.00 0.00 66.00 64.47 2kot h PRO 47 Cb 1.44 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.71 2kot h PRO 47 CO 0.25 1.17 -0.65 0.45 -0.23 0.00 0.00 178.00 178.99 2kot h HIS 48 N 0.21 0.00 0.14 1.56 3.86 -1.91 -3.31 115.15 115.71 2kot h HIS 48 Ca -0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 2kot h HIS 48 Cb 1.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.18 2kot h HIS 48 CO 0.07 0.65 -0.07 1.25 0.86 0.00 0.00 177.93 180.69 2kot h LEU 49 N 0.00 -0.16 -8.36 2.43 5.85 -1.89 -3.41 115.31 109.77 2kot h LEU 49 Ca -0.01 -0.37 -0.73 0.00 0.84 0.00 0.00 57.88 57.62 2kot h LEU 49 Cb 1.15 0.04 -0.22 0.00 0.37 0.00 0.00 40.66 42.00 2kot h LEU 49 CO 0.08 0.33 -0.39 -0.76 -0.34 0.00 0.00 178.44 177.37 2kot s LEU 50 N -9.18 5.34 0.43 2.25 1.43 -1.20 -4.62 118.68 113.14 2kot s LEU 50 Ca -0.14 -1.16 0.15 0.00 -1.03 0.00 0.00 54.13 51.94 2kot s LEU 50 Cb 0.01 -2.15 1.04 0.00 0.03 0.00 0.00 46.19 45.12 2kot s LEU 50 CO 0.56 -0.55 1.96 0.07 0.23 0.00 0.00 176.35 178.63 2kot h LYS 51 N 8.66 0.39 -5.07 1.70 2.10 -1.81 -3.29 116.57 119.25 2kot h LYS 51 Ca -0.27 -0.02 -0.72 0.00 -2.00 0.00 0.00 60.65 57.63 2kot h LYS 51 Cb 1.11 -0.09 -0.15 0.00 -0.90 0.00 0.00 32.23 32.21 2kot h LYS 51 CO 0.80 0.26 1.64 -0.25 -2.00 0.00 0.00 179.45 179.90 2kot n ASP 52 N -4.47 5.13 -0.03 7.07 8.00 -1.26 -4.80 116.55 126.20 2kot n ASP 52 Ca 0.11 -2.96 -0.17 0.00 0.71 0.00 0.00 54.79 52.48 2kot n ASP 52 Cb 0.42 -1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 39.82 2kot n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2kot h VAL 53 N 4.91 1.30 0.00 2.53 -1.51 -1.89 -3.36 116.25 118.23 2kot h VAL 53 Ca 0.36 -1.93 -0.18 0.00 -1.23 0.00 0.00 66.70 63.73 2kot h VAL 53 Cb 0.87 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 32.01 2kot h VAL 53 CO 1.32 0.61 -2.00 0.61 -1.23 0.00 0.00 177.57 176.87 2kot n GLY 54 N 0.69 -1.05 2.77 5.19 0.00 -1.26 -4.63 105.19 106.90 2kot n GLY 54 Ca -0.08 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2kot n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kot n SER 55 N -2.59 5.87 -0.24 1.61 2.88 -1.26 -4.59 113.62 115.31 2kot n SER 55 Ca -0.16 -3.13 0.11 0.00 -1.33 0.00 0.00 58.87 54.36 2kot n SER 55 Cb 0.85 -1.44 0.06 0.00 -0.75 0.00 0.00 64.21 62.93 2kot n SER 55 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kot n LEU 56 N 3.22 1.34 0.21 2.46 7.99 -1.26 -4.42 117.00 126.55 2kot n LEU 56 Ca 0.45 -0.50 0.07 0.00 -0.01 0.00 0.00 56.01 56.02 2kot n LEU 56 Cb 0.33 -0.05 0.57 0.00 -0.11 0.00 0.00 43.42 44.16 2kot n LEU 56 CO 0.78 0.27 1.04 -2.24 -1.51 0.00 0.00 177.39 175.74 2kot h ASP 57 N 1.16 0.08 -0.54 -1.43 2.03 -1.97 0.27 116.42 116.00 2kot h ASP 57 Ca 0.00 -0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 2kot h ASP 57 Cb 0.60 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 2kot h ASP 57 CO 0.00 0.10 -0.03 -0.08 -1.03 0.00 0.00 179.24 178.20 2kot h GLU 58 N 0.09 0.98 0.00 4.15 4.81 -1.98 -3.09 114.58 119.54 2kot h GLU 58 Ca 0.02 -0.33 -0.20 0.00 -0.13 0.00 0.00 59.36 58.72 2kot h GLU 58 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2kot h GLU 58 CO 0.00 1.00 -1.19 0.87 -0.73 0.00 0.00 179.01 178.96 2kot h LYS 59 N 0.86 0.00 -0.87 1.92 1.57 -1.76 -3.37 116.57 114.92 2kot h LYS 59 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kot h LYS 59 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2kot h LYS 59 CO 0.03 0.56 0.56 1.98 -0.57 0.00 0.00 179.45 182.01 2kot h MET 60 N 0.00 1.15 -0.26 3.15 4.05 -0.45 0.17 114.93 122.74 2kot h MET 60 Ca -0.12 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.15 2kot h MET 60 Cb 1.70 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 32.23 2kot h MET 60 CO 0.08 0.78 -0.15 0.87 0.23 0.00 0.00 176.91 178.72 2kot h LYS 61 N 1.18 0.44 0.05 0.39 1.79 -1.70 0.23 116.57 118.95 2kot h LYS 61 Ca 0.32 -0.13 -0.23 0.00 -2.18 0.00 0.00 60.65 58.42 2kot h LYS 61 Cb -0.11 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2kot h LYS 61 CO -0.07 0.59 -1.07 0.77 -1.08 0.00 0.00 179.45 178.59 2kot h SER 62 N 0.41 0.23 0.24 0.86 0.02 -1.63 -3.32 113.55 110.36 2kot h SER 62 Ca 0.07 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2kot h SER 62 Cb 0.50 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kot h SER 62 CO 0.03 1.15 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.68 2kot h LEU 63 N 0.05 -0.28 -5.41 5.07 3.38 -0.41 -3.32 115.31 114.39 2kot h LEU 63 Ca -0.07 -0.25 -0.69 0.00 0.09 0.00 0.00 57.88 56.96 2kot h LEU 63 Cb 1.79 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 42.46 2kot h LEU 63 CO 0.16 0.18 1.71 -0.67 0.09 0.00 0.00 178.44 179.91 2kot n ASP 64 N -5.03 7.56 0.07 -0.43 2.03 0.05 -4.56 116.55 116.24 2kot n ASP 64 Ca -0.09 -3.25 -0.02 0.00 0.52 0.00 0.00 54.79 51.96 2kot n ASP 64 Cb 0.26 -1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 39.31 2kot n ASP 64 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kot h VAL 65 N 2.38 0.98 -0.10 5.18 3.04 -1.67 -3.29 116.25 122.77 2kot h VAL 65 Ca 0.60 -2.52 -0.10 0.00 -1.01 0.00 0.00 66.70 63.68 2kot h VAL 65 Cb 0.40 2.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 2kot h VAL 65 CO 1.29 0.56 -0.39 -1.13 -1.01 0.00 0.00 177.57 176.89 2kot h ASN 66 N 0.00 0.22 -4.79 3.17 -1.24 -1.91 -3.48 115.58 107.55 2kot h ASN 66 Ca -0.08 -0.09 -0.18 0.00 0.71 0.00 0.00 56.30 56.66 2kot h ASN 66 Cb 1.60 -0.06 0.15 0.00 0.73 0.00 0.00 38.32 40.74 2kot h ASN 66 CO 0.08 0.60 -0.63 0.00 -1.29 0.00 0.00 177.43 176.19 2kot n GLN 67 N -4.04 -1.74 0.00 6.67 6.02 -1.24 -4.99 117.38 118.05 2kot n GLN 67 Ca -0.01 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2kot n GLN 67 Cb 0.46 -4.68 0.00 0.00 1.02 0.00 0.00 30.24 27.04 2kot n GLN 67 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2kot n ASP 68 N -2.76 0.58 0.00 1.08 2.03 -1.26 -5.03 116.55 111.18 2kot n ASP 68 Ca -0.06 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.26 2kot n ASP 68 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2kot n ASP 68 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kot n SER 69 N -0.00 0.00 -4.51 1.67 2.88 -1.26 -4.96 113.62 107.43 2kot n SER 69 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2kot n SER 69 Cb 0.10 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.48 2kot n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kot s GLU 70 N 0.00 3.27 -0.91 -1.46 2.02 -1.26 -4.10 118.70 116.27 2kot s GLU 70 Ca 0.00 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.20 2kot s GLU 70 Cb 0.00 -3.92 0.04 0.00 0.10 0.00 0.00 34.13 30.35 2kot s GLU 70 CO 0.00 -0.81 1.41 -0.51 0.02 0.00 0.00 175.26 175.37 2kot s LEU 71 N 2.30 3.36 0.93 1.80 1.02 -0.28 -4.88 118.68 122.93 2kot s LEU 71 Ca 0.15 -1.03 -0.12 0.00 0.02 0.00 0.00 54.13 53.15 2kot s LEU 71 Cb -0.16 -2.57 0.15 0.00 0.02 0.00 0.00 46.19 43.63 2kot s LEU 71 CO 0.14 -1.68 1.10 -0.75 0.02 0.00 0.00 176.35 175.18 2kot s LYS 72 N 5.36 0.96 0.48 1.70 2.20 -1.26 -0.33 119.74 128.85 2kot s LYS 72 Ca 0.43 0.61 0.15 0.00 -0.36 0.00 0.00 55.97 56.80 2kot s LYS 72 Cb -0.03 -1.79 1.14 0.00 -1.51 0.00 0.00 37.83 35.63 2kot s LYS 72 CO -0.00 -2.39 2.07 0.35 -0.36 0.00 0.00 175.35 175.02 2kot h PHE 73 N -1.65 0.01 -0.30 4.03 3.04 -1.96 0.92 116.94 121.03 2kot h PHE 73 Ca -0.52 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.31 2kot h PHE 73 Cb 1.31 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 2kot h PHE 73 CO 0.35 0.09 -0.32 -0.97 -2.02 0.00 0.00 178.31 175.45 2kot h ASN 74 N 0.01 0.66 0.91 0.41 -0.73 -1.96 -0.09 115.58 114.78 2kot h ASN 74 Ca 0.00 -0.26 -0.13 0.00 1.87 0.00 0.00 56.30 57.77 2kot h ASN 74 Cb 0.15 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.54 2kot h ASN 74 CO 0.01 0.94 -1.16 -0.33 -0.37 0.00 0.00 177.43 176.51 2kot h GLU 75 N 0.54 0.00 0.00 6.67 3.07 -1.61 -3.32 114.58 119.93 2kot h GLU 75 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2kot h GLU 75 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2kot h GLU 75 CO 0.07 0.30 -0.23 0.98 -1.40 0.00 0.00 179.01 178.73 2kot n TYR 76 N -2.94 0.33 0.23 4.33 9.36 0.31 -3.93 117.16 124.86 2kot n TYR 76 Ca -0.06 0.09 0.14 0.00 3.32 0.00 0.00 57.90 61.39 2kot n TYR 76 Cb 0.78 -0.58 0.79 0.00 -0.63 0.00 0.00 39.34 39.70 2kot n TYR 76 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 2kot h TRP 77 N 0.00 0.00 -0.07 2.98 7.01 -1.11 -2.07 115.95 122.69 2kot h TRP 77 Ca 0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2kot h TRP 77 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 2kot h TRP 77 CO 0.00 0.00 -0.10 0.00 -2.79 0.00 0.00 178.44 175.55 2kot h ARG 78 N 0.00 0.11 0.10 2.65 2.47 -1.82 -2.72 114.38 115.17 2kot h ARG 78 Ca 0.05 -0.02 -0.30 0.00 -1.26 0.00 0.00 59.98 58.45 2kot h ARG 78 Cb 0.22 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2kot h ARG 78 CO -0.00 0.21 -1.53 1.25 0.56 0.00 0.00 179.97 180.46 2kot h LEU 79 N 0.10 0.35 -0.99 3.04 5.85 -1.67 -3.25 115.31 118.75 2kot h LEU 79 Ca 0.02 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2kot h LEU 79 Cb 0.25 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2kot h LEU 79 CO 0.01 1.41 0.64 0.40 -0.34 0.00 0.00 178.44 180.56 2kot h ILE 80 N 0.06 1.06 -0.40 4.05 1.08 -1.39 0.72 117.51 122.70 2kot h ILE 80 Ca -0.24 -0.39 -0.13 0.00 -0.39 0.00 0.00 64.86 63.71 2kot h ILE 80 Cb 2.00 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 2kot h ILE 80 CO 0.15 0.21 -0.27 1.23 -0.69 0.00 0.00 178.15 178.78 2kot h GLY 81 N 1.14 0.91 2.00 5.37 0.00 -1.62 -3.00 103.07 107.86 2kot h GLY 81 Ca 0.44 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2kot h GLY 81 CO -0.18 0.75 -0.34 0.83 0.00 0.00 0.00 176.54 177.59 2kot h GLU 82 N 0.71 0.00 0.92 4.80 4.39 -1.32 -1.90 114.58 122.19 2kot h GLU 82 Ca 0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2kot h GLU 82 Cb 0.81 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2kot h GLU 82 CO 0.07 0.34 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.74 2kot h LEU 83 N 0.00 -1.08 -0.87 1.33 4.07 -0.75 -0.27 115.31 117.73 2kot h LEU 83 Ca -0.00 0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 2kot h LEU 83 Cb 0.72 0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 2kot h LEU 83 CO 0.04 -0.76 -0.51 0.00 -1.08 0.00 0.00 178.44 176.13 2kot h ALA 84 N -1.17 1.02 0.00 1.53 0.00 -1.61 -2.84 119.26 116.19 2kot h ALA 84 Ca -0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 2kot h ALA 84 Cb 0.96 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2kot h ALA 84 CO 0.20 0.64 -0.31 -0.22 0.00 0.00 0.00 179.25 179.56 2kot h LYS 85 N 0.00 0.00 -0.73 0.00 3.64 -1.29 -3.10 116.57 115.09 2kot h LYS 85 Ca -0.01 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 2kot h LYS 85 Cb 0.98 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.54 2kot h LYS 85 CO 0.07 0.31 0.16 0.39 -2.27 0.00 0.00 179.45 178.11 2kot n GLU 86 N -3.66 2.52 -0.10 1.90 1.02 -0.12 -3.81 120.64 118.39 2kot n GLU 86 Ca -0.01 -3.40 -0.14 0.00 -0.02 0.00 0.00 57.16 53.59 2kot n GLU 86 Cb 0.42 -2.11 -0.08 0.00 -0.02 0.00 0.00 31.44 29.65 2kot n GLU 86 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2kot n ILE 87 N -0.99 1.08 -0.04 -3.67 0.00 -1.17 -4.44 119.36 110.14 2kot n ILE 87 Ca 0.49 -0.39 -0.04 0.00 0.00 0.00 0.00 62.75 62.80 2kot n ILE 87 Cb 1.03 -1.26 -0.04 0.00 0.00 0.00 0.00 39.64 39.37 2kot n ILE 87 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2kot n ARG 88 N -3.18 1.57 -1.89 9.51 0.00 -1.26 -4.75 116.66 116.66 2kot n ARG 88 Ca -0.34 0.02 -0.24 0.00 -0.00 0.00 0.00 57.85 57.29 2kot n ARG 88 Cb 0.84 -1.16 0.03 0.00 -0.00 0.00 0.00 32.46 32.18 2kot n ARG 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2kot n LYS 89 N -2.49 3.44 -0.31 2.89 2.85 -1.25 -4.80 118.16 118.49 2kot n LYS 89 Ca -0.12 -4.05 -0.04 0.00 -1.05 0.00 0.00 58.31 53.04 2kot n LYS 89 Cb 0.68 -2.25 0.08 0.00 -0.65 0.00 0.00 35.03 32.89 2kot n LYS 89 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 2kot h LYS 90 N 2.11 1.14 -1.80 -1.58 2.10 -1.78 -3.29 116.57 113.48 2kot h LYS 90 Ca 0.37 -0.11 -0.47 0.00 -2.00 0.00 0.00 60.65 58.44 2kot h LYS 90 Cb 1.46 -0.23 -0.40 0.00 -0.90 0.00 0.00 32.23 32.15 2kot h LYS 90 CO 0.80 0.82 -1.10 1.17 -2.00 0.00 0.00 179.45 179.13 2kot n LYS 91 N -4.42 1.44 -2.01 0.07 4.81 -1.26 -4.98 118.16 111.80 2kot n LYS 91 Ca 0.08 -3.61 -0.31 0.00 -0.87 0.00 0.00 58.31 53.60 2kot n LYS 91 Cb 0.07 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.35 2kot n LYS 91 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2kot n ASP 92 N 0.10 3.19 0.00 3.14 5.75 -1.24 -3.20 116.55 124.28 2kot n ASP 92 Ca 0.23 -2.72 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 2kot n ASP 92 Cb 0.66 -1.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 2kot n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kot n LEU 93 N 13.13 0.00 -0.04 -2.12 7.94 -1.26 -4.98 117.00 129.66 2kot n LEU 93 Ca 0.46 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 55.14 2kot n LEU 93 Cb 0.46 0.23 -0.13 0.00 0.53 0.00 0.00 43.42 44.51 2kot n LEU 93 CO 0.73 -0.23 -0.83 1.17 -1.11 0.00 0.00 177.39 177.11 2kot n LYS 94 N -2.13 0.69 -4.18 1.96 3.00 -1.19 -4.95 118.16 111.35 2kot n LYS 94 Ca 0.00 0.33 -0.18 0.00 -0.00 0.00 0.00 58.31 58.46 2kot n LYS 94 Cb 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 35.03 33.19 2kot n LYS 94 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2kot s ILE 95 N -2.50 0.50 -0.33 3.15 -4.36 -1.21 -5.06 121.20 111.38 2kot s ILE 95 Ca -0.26 -0.18 0.16 0.00 -0.26 0.00 0.00 60.65 60.11 2kot s ILE 95 Cb 0.07 -0.48 0.44 0.00 1.25 0.00 0.00 42.46 43.75 2kot s ILE 95 CO 0.69 0.18 1.25 -2.11 0.24 0.00 0.00 174.94 175.20 2kot n ARG 96 N 3.51 1.38 -3.15 0.37 1.85 -1.26 -4.14 116.66 115.22 2kot n ARG 96 Ca -0.20 -2.43 0.04 0.00 -1.00 0.00 0.00 57.85 54.26 2kot n ARG 96 Cb 0.54 -0.61 -0.01 0.00 -1.05 0.00 0.00 32.46 31.33 2kot n ARG 96 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2kot s LYS 97 N -1.67 0.51 0.00 2.89 -2.85 -1.26 -5.12 119.74 112.24 2kot s LYS 97 Ca 0.21 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 2kot s LYS 97 Cb 0.40 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.61 2kot s LYS 97 CO -0.06 -0.66 0.00 1.17 0.10 0.00 0.00 175.35 175.91