#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 3.80 -0.30 3.17 0.00 -1.26 -5.04 121.76 122.12 2kot s ALA 2 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2kot s ALA 2 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2kot s ALA 2 CO 0.00 0.33 0.20 0.00 0.00 0.00 0.00 175.76 176.29 2kot s ALA 3 N -1.97 3.50 -0.15 0.00 0.00 -1.26 -5.09 121.76 116.77 2kot s ALA 3 Ca 0.39 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2kot s ALA 3 Cb -0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2kot s ALA 3 CO 0.30 -0.70 0.04 -2.00 0.00 0.00 0.00 175.76 173.40 2kot s GLU 4 N 1.74 3.70 0.11 0.00 2.12 -1.26 -5.03 118.70 120.08 2kot s GLU 4 Ca 0.07 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.72 2kot s GLU 4 Cb -0.16 -3.09 -0.09 0.00 0.26 0.00 0.00 34.13 31.04 2kot s GLU 4 CO 0.10 0.40 1.67 -2.14 -0.54 0.00 0.00 175.26 174.76 2kot s PRO 5 N -0.00 4.18 0.00 4.30 0.02 -1.26 -4.95 135.00 137.29 2kot s PRO 5 Ca 0.05 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2kot s PRO 5 Cb -0.12 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 30.94 2kot s PRO 5 CO 0.01 -0.73 0.00 1.28 -0.33 0.00 0.00 177.00 177.23 2kot n LEU 6 N 5.11 0.00 -4.60 -5.54 4.77 -1.26 -5.03 117.00 110.46 2kot n LEU 6 Ca 0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.80 2kot n LEU 6 Cb 0.39 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.60 2kot n LEU 6 CO 0.63 0.00 0.47 0.41 -1.33 0.00 0.00 177.39 177.57 2kot n THR 7 N 0.00 1.40 -0.31 -5.08 -1.04 -1.26 -4.25 114.28 103.73 2kot n THR 7 Ca 0.00 -0.22 0.01 0.00 -2.04 0.00 0.00 64.05 61.80 2kot n THR 7 Cb 0.00 -0.99 0.06 0.00 -1.82 0.00 0.00 70.33 67.58 2kot n THR 7 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kot n GLU 8 N -2.62 -0.16 -0.10 -2.82 2.13 -1.26 0.51 120.64 116.31 2kot n GLU 8 Ca 0.11 1.29 -0.12 0.00 0.66 0.00 0.00 57.16 59.10 2kot n GLU 8 Cb 0.51 -1.91 -0.04 0.00 0.27 0.00 0.00 31.44 30.27 2kot n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kot h LEU 9 N 0.00 0.69 -1.28 4.31 3.38 -2.01 -1.92 115.31 118.49 2kot h LEU 9 Ca 0.32 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2kot h LEU 9 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kot h LEU 9 CO -0.83 0.96 -0.27 -0.33 0.09 0.00 0.00 178.44 178.06 2kot h GLU 10 N 0.42 0.14 0.00 1.13 5.08 -1.31 -2.93 114.58 117.11 2kot h GLU 10 Ca 0.06 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2kot h GLU 10 Cb 0.72 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2kot h GLU 10 CO 0.05 0.41 -0.53 1.49 -1.00 0.00 0.00 179.01 179.42 2kot h GLU 11 N 0.12 0.00 -0.55 2.33 4.81 0.14 -2.88 114.58 118.56 2kot h GLU 11 Ca 0.02 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2kot h GLU 11 Cb 0.56 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2kot h GLU 11 CO 0.04 0.53 0.35 0.77 -0.73 0.00 0.00 179.01 179.97 2kot h SER 12 N 0.00 0.59 1.51 1.04 0.02 -1.15 -0.91 113.55 114.65 2kot h SER 12 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kot h SER 12 Cb 1.41 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2kot h SER 12 CO 0.07 0.43 -0.35 0.16 -1.14 0.00 0.00 176.83 176.00 2kot h ILE 13 N 0.71 0.00 -0.16 3.27 -0.00 -1.65 -3.34 117.51 116.34 2kot h ILE 13 Ca 0.21 -0.85 -0.17 0.00 -0.00 0.00 0.00 64.86 64.04 2kot h ILE 13 Cb -0.04 1.67 0.01 0.00 -0.00 0.00 0.00 36.82 38.45 2kot h ILE 13 CO -0.07 0.00 -0.58 -0.08 -0.00 0.00 0.00 178.15 177.42 2kot h GLU 14 N 0.00 0.68 -0.07 0.16 4.22 -1.21 -3.18 114.58 115.18 2kot h GLU 14 Ca 0.00 -0.51 0.02 0.00 0.08 0.00 0.00 59.36 58.95 2kot h GLU 14 Cb 0.93 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2kot h GLU 14 CO 0.00 1.13 0.06 1.15 -2.18 0.00 0.00 179.01 179.17 2kot h THR 15 N 0.36 0.78 0.00 0.32 2.02 -1.30 -1.47 112.91 113.62 2kot h THR 15 Ca -0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 2kot h THR 15 Cb 1.21 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2kot h THR 15 CO 0.12 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 176.35 2kot h VAL 16 N 0.00 0.87 -0.97 3.16 2.07 -1.70 -2.91 116.25 116.77 2kot h VAL 16 Ca 0.03 -0.93 -0.65 0.00 0.82 0.00 0.00 66.70 65.98 2kot h VAL 16 Cb 0.14 1.55 -0.33 0.00 -1.52 0.00 0.00 31.29 31.13 2kot h VAL 16 CO -0.00 0.24 0.44 0.52 0.02 0.00 0.00 177.57 178.78 2kot n VAL 17 N -3.82 3.35 0.00 2.57 0.31 -0.55 -4.53 118.33 115.65 2kot n VAL 17 Ca -0.02 -3.31 0.00 0.00 -0.01 0.00 0.00 64.34 61.00 2kot n VAL 17 Cb 0.34 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2kot n VAL 17 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kot n THR 18 N -0.85 0.00 0.18 2.52 -2.24 -1.15 -4.64 114.28 108.10 2kot n THR 18 Ca 0.58 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 62.21 2kot n THR 18 Cb 0.73 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 2kot n THR 18 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2kot h THR 19 N 0.00 0.71 -0.64 4.28 2.02 -1.76 -3.24 112.91 114.27 2kot h THR 19 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2kot h THR 19 Cb 0.00 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2kot h THR 19 CO 0.00 0.06 0.00 0.33 0.37 0.00 0.00 175.52 176.28 2kot n PHE 20 N -5.21 0.85 0.19 3.16 7.35 -1.26 -4.42 117.46 118.12 2kot n PHE 20 Ca -0.10 -0.44 0.03 0.00 -0.76 0.00 0.00 57.45 56.18 2kot n PHE 20 Cb 0.23 -0.00 0.37 0.00 0.35 0.00 0.00 39.48 40.43 2kot n PHE 20 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2kot h PHE 21 N 4.23 0.00 -0.79 -5.13 3.57 -1.82 -1.52 116.94 115.49 2kot h PHE 21 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2kot h PHE 21 Cb 0.98 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 2kot h PHE 21 CO 0.43 0.37 0.33 1.15 -2.23 0.00 0.00 178.31 178.36 2kot h THR 22 N 0.00 1.26 0.00 4.41 2.02 -1.77 -1.91 112.91 116.92 2kot h THR 22 Ca -0.00 -0.80 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 2kot h THR 22 Cb 0.71 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2kot h THR 22 CO 0.05 0.33 -0.84 -0.26 0.37 0.00 0.00 175.52 175.17 2kot h PHE 23 N 1.15 0.00 -0.20 3.16 -1.00 -1.83 -3.33 116.94 114.89 2kot h PHE 23 Ca 0.27 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.92 2kot h PHE 23 Cb 0.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2kot h PHE 23 CO 0.02 0.69 -0.41 0.00 -1.61 0.00 0.00 178.31 177.00 2kot h ALA 24 N 1.31 0.93 -0.00 2.45 0.00 -0.99 -3.06 119.26 119.90 2kot h ALA 24 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kot h ALA 24 Cb 1.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kot h ALA 24 CO 0.08 0.63 -0.02 2.89 0.00 0.00 0.00 179.25 182.84 2kot n ARG 25 N -4.03 0.92 -0.18 0.00 1.85 -0.74 -3.95 116.66 110.53 2kot n ARG 25 Ca -0.02 -0.14 -0.09 0.00 -1.00 0.00 0.00 57.85 56.60 2kot n ARG 25 Cb 0.51 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.43 2kot n ARG 25 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2kot h GLN 26 N 0.35 0.85 0.00 2.89 4.15 -1.65 -3.45 115.11 118.24 2kot h GLN 26 Ca 0.00 -0.22 -0.32 0.00 0.77 0.00 0.00 58.65 58.87 2kot h GLN 26 Cb 0.17 -0.10 0.05 0.00 0.21 0.00 0.00 27.48 27.80 2kot h GLN 26 CO 0.00 0.83 0.05 0.39 -1.93 0.00 0.00 178.83 178.17 2kot n GLU 27 N -4.40 0.25 -1.46 1.69 -0.58 -1.25 -5.07 120.64 109.82 2kot n GLU 27 Ca 0.02 -1.94 -0.37 0.00 -0.42 0.00 0.00 57.16 54.44 2kot n GLU 27 Cb 0.25 -0.39 0.06 0.00 -0.57 0.00 0.00 31.44 30.78 2kot n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kot n GLY 28 N -0.20 -1.01 2.00 0.62 0.00 -1.26 -4.65 105.19 100.69 2kot n GLY 28 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kot n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kot n ARG 29 N -0.75 -4.68 -0.13 1.61 5.12 -1.26 -4.69 116.66 111.89 2kot n ARG 29 Ca 0.12 3.42 -0.06 0.00 -1.93 0.00 0.00 57.85 59.41 2kot n ARG 29 Cb 0.48 -3.90 0.13 0.00 -1.16 0.00 0.00 32.46 28.01 2kot n ARG 29 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2kot h LYS 30 N 3.71 0.84 -1.02 5.56 1.79 -1.89 -2.98 116.57 122.58 2kot h LYS 30 Ca 0.00 -0.25 -0.39 0.00 -2.18 0.00 0.00 60.65 57.84 2kot h LYS 30 Cb 0.00 -0.09 -0.22 0.00 -1.58 0.00 0.00 32.23 30.34 2kot h LYS 30 CO 0.00 0.86 0.49 -0.25 -1.08 0.00 0.00 179.45 179.47 2kot n ASP 31 N -4.20 3.80 -4.14 0.86 8.00 -1.26 -4.36 116.55 115.26 2kot n ASP 31 Ca 0.02 -3.18 -0.12 0.00 0.71 0.00 0.00 54.79 52.22 2kot n ASP 31 Cb 0.32 -0.77 -0.10 0.00 -0.02 0.00 0.00 41.12 40.55 2kot n ASP 31 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kot s SER 32 N -0.67 1.11 0.12 -2.24 0.15 -1.13 -3.70 113.70 107.35 2kot s SER 32 Ca 0.42 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 56.26 2kot s SER 32 Cb 0.35 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2kot s SER 32 CO 0.07 -0.36 0.04 -0.76 1.20 0.00 0.00 173.24 173.43 2kot s LEU 33 N -2.56 3.54 0.56 3.45 1.02 -0.36 -4.36 118.68 119.98 2kot s LEU 33 Ca 0.05 -0.19 -0.13 0.00 0.02 0.00 0.00 54.13 53.88 2kot s LEU 33 Cb -0.00 -2.23 -0.06 0.00 0.02 0.00 0.00 46.19 43.92 2kot s LEU 33 CO -0.03 0.14 0.99 -0.55 0.02 0.00 0.00 176.35 176.92 2kot s SER 34 N -2.60 6.41 0.27 2.29 0.15 -1.26 -1.59 113.70 117.36 2kot s SER 34 Ca 0.28 1.45 0.09 0.00 0.70 0.00 0.00 55.95 58.46 2kot s SER 34 Cb -0.11 -2.47 0.34 0.00 -1.71 0.00 0.00 66.02 62.07 2kot s SER 34 CO 0.20 -0.72 1.61 1.62 1.20 0.00 0.00 173.24 177.14 2kot h VAL 35 N 0.27 1.42 0.03 4.45 3.04 -1.98 -2.77 116.25 120.71 2kot h VAL 35 Ca -0.45 -2.03 -0.31 0.00 -1.01 0.00 0.00 66.70 62.89 2kot h VAL 35 Cb 1.19 2.08 -0.04 0.00 -2.01 0.00 0.00 31.29 32.50 2kot h VAL 35 CO 0.62 0.59 -1.80 -3.20 -1.01 0.00 0.00 177.57 172.77 2kot n ASN 36 N -3.84 1.14 0.04 3.17 5.15 -1.26 -4.05 115.26 115.62 2kot n ASN 36 Ca -0.02 0.35 -0.11 0.00 -0.60 0.00 0.00 54.58 54.21 2kot n ASN 36 Cb 0.60 -0.22 0.01 0.00 -0.53 0.00 0.00 39.78 39.65 2kot n ASN 36 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2kot h GLU 37 N 0.02 0.45 -0.40 1.20 5.08 -1.97 -3.10 114.58 115.86 2kot h GLU 37 Ca -0.33 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.59 2kot h GLU 37 Cb 2.03 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.34 2kot h GLU 37 CO 0.08 1.01 -0.05 0.27 -1.00 0.00 0.00 179.01 179.32 2kot h PHE 38 N 0.30 0.71 -0.73 4.33 -5.15 -1.68 -2.66 116.94 112.06 2kot h PHE 38 Ca -0.04 -0.10 -0.05 0.00 -0.20 0.00 0.00 57.97 57.58 2kot h PHE 38 Cb 1.33 -0.19 -0.03 0.00 0.22 0.00 0.00 35.95 37.28 2kot h PHE 38 CO 0.05 0.70 0.25 -0.22 -2.00 0.00 0.00 178.31 177.09 2kot h LYS 39 N 0.62 1.12 -0.14 6.09 3.64 -1.69 -2.67 116.57 123.53 2kot h LYS 39 Ca 0.12 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2kot h LYS 39 Cb 0.46 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2kot h LYS 39 CO 0.02 0.94 -0.29 0.93 -2.27 0.00 0.00 179.45 178.78 2kot h GLU 40 N 1.08 0.27 -0.09 1.90 5.08 -1.43 -2.65 114.58 118.74 2kot h GLU 40 Ca 0.24 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2kot h GLU 40 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kot h GLU 40 CO -0.01 0.54 -0.29 1.25 -1.00 0.00 0.00 179.01 179.49 2kot h LEU 41 N 0.24 0.17 0.00 1.33 5.85 -1.15 -2.79 115.31 118.96 2kot h LEU 41 Ca 0.03 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2kot h LEU 41 Cb 0.64 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2kot h LEU 41 CO 0.05 0.47 -0.30 0.58 -0.34 0.00 0.00 178.44 178.89 2kot h VAL 42 N 0.15 0.27 -0.65 1.05 2.07 -1.26 0.11 116.25 117.99 2kot h VAL 42 Ca 0.02 -1.40 -0.41 0.00 0.82 0.00 0.00 66.70 65.73 2kot h VAL 42 Cb 0.60 2.08 -0.24 0.00 -1.52 0.00 0.00 31.29 32.20 2kot h VAL 42 CO 0.04 0.15 0.03 0.41 0.02 0.00 0.00 177.57 178.23 2kot n THR 43 N -3.09 2.86 0.00 2.57 -1.04 -1.02 -2.06 114.28 112.49 2kot n THR 43 Ca 0.02 -3.06 0.00 0.00 -2.04 0.00 0.00 64.05 58.98 2kot n THR 43 Cb 0.60 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.99 0.00 -0.01 -2.82 7.27 -1.14 -4.95 117.38 114.73 2kot n GLN 44 Ca 0.45 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.56 2kot n GLN 44 Cb 1.01 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.58 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 -2.30 0.69 -2.39 3.69 7.27 -1.08 -4.74 117.38 118.52 2kot n GLN 45 Ca 0.00 -0.08 -0.14 0.00 0.07 0.00 0.00 57.00 56.85 2kot n GLN 45 Cb 0.00 -1.26 0.03 0.00 2.41 0.00 0.00 30.24 31.43 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 -1.96 3.44 0.10 1.69 7.94 0.37 -4.90 117.00 123.68 2kot n LEU 46 Ca -0.05 -4.02 -0.20 0.00 -1.11 0.00 0.00 56.01 50.63 2kot n LEU 46 Cb 0.38 0.02 -0.15 0.00 0.53 0.00 0.00 43.42 44.20 2kot n LEU 46 CO 0.22 1.65 -0.24 1.55 -1.11 0.00 0.00 177.39 179.47 2kot h PRO 47 N 2.39 0.36 0.00 1.96 0.13 -1.65 -3.33 132.00 131.86 2kot h PRO 47 Ca 0.14 -0.62 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2kot h PRO 47 Cb 1.40 0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.75 2kot h PRO 47 CO 0.52 1.27 -0.33 0.45 -0.23 0.00 0.00 178.00 179.68 2kot h HIS 48 N 0.10 0.00 0.51 1.56 3.86 -1.90 -3.30 115.15 115.97 2kot h HIS 48 Ca -0.22 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.96 2kot h HIS 48 Cb 2.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.54 2kot h HIS 48 CO 0.09 0.33 -0.24 1.25 0.86 0.00 0.00 177.93 180.22 2kot h LEU 49 N 0.00 -0.58 -8.81 2.43 5.85 -1.89 -3.41 115.31 108.90 2kot h LEU 49 Ca -0.00 0.02 -0.60 0.00 0.84 0.00 0.00 57.88 58.14 2kot h LEU 49 Cb 0.72 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 2kot h LEU 49 CO 0.04 -0.24 0.56 -0.76 -0.34 0.00 0.00 178.44 177.70 2kot s LEU 50 N -8.54 4.02 0.43 2.25 1.43 -1.24 -4.61 118.68 112.41 2kot s LEU 50 Ca -0.10 0.48 0.18 0.00 -1.03 0.00 0.00 54.13 53.66 2kot s LEU 50 Cb 0.01 -3.21 1.11 0.00 0.03 0.00 0.00 46.19 44.13 2kot s LEU 50 CO 0.30 -0.86 1.88 0.07 0.23 0.00 0.00 176.35 177.97 2kot h LYS 51 N 8.55 0.36 -4.85 1.70 2.10 -1.80 -3.38 116.57 119.25 2kot h LYS 51 Ca -0.24 -0.02 -0.67 0.00 -2.00 0.00 0.00 60.65 57.73 2kot h LYS 51 Cb 1.08 -0.08 -0.24 0.00 -0.90 0.00 0.00 32.23 32.09 2kot h LYS 51 CO 0.97 0.24 -0.61 0.34 -2.00 0.00 0.00 179.45 178.39 2kot s ASP 52 N -5.75 5.19 -0.16 7.07 -1.08 -1.26 -4.97 116.67 115.71 2kot s ASP 52 Ca -0.08 -0.49 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 2kot s ASP 52 Cb 0.22 -1.92 -0.16 0.00 -1.46 0.00 0.00 42.92 39.61 2kot s ASP 52 CO 0.78 -0.13 -0.04 1.33 0.52 0.00 0.00 175.17 177.62 2kot n VAL 53 N 4.91 1.04 -0.00 1.11 0.24 -1.26 -4.74 118.33 119.63 2kot n VAL 53 Ca -0.15 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.34 61.51 2kot n VAL 53 Cb 0.49 -0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 31.94 2kot n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2kot h GLY 54 N 2.29 -0.11 -7.03 7.63 0.00 -1.97 -3.39 103.07 100.49 2kot h GLY 54 Ca -0.41 0.04 -0.74 0.00 0.00 0.00 0.00 47.33 46.22 2kot h GLY 54 CO -0.01 -0.04 1.84 -1.26 0.00 0.00 0.00 176.54 177.06 2kot n SER 55 N -4.81 5.06 -0.39 0.19 2.88 -1.26 -4.71 113.62 110.58 2kot n SER 55 Ca -0.07 -3.03 0.13 0.00 -1.33 0.00 0.00 58.87 54.58 2kot n SER 55 Cb 0.28 -1.55 0.41 0.00 -0.75 0.00 0.00 64.21 62.60 2kot n SER 55 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kot n LEU 56 N 5.04 1.35 0.30 2.46 -0.00 -1.26 -4.28 117.00 120.61 2kot n LEU 56 Ca 0.40 -0.42 0.17 0.00 -0.00 0.00 0.00 56.01 56.16 2kot n LEU 56 Cb 0.40 -0.06 0.95 0.00 -0.00 0.00 0.00 43.42 44.71 2kot n LEU 56 CO 0.74 0.24 1.10 -2.24 -0.00 0.00 0.00 177.39 177.23 2kot h ASP 57 N 1.89 0.00 -0.58 1.96 3.04 -1.96 -0.91 116.42 119.85 2kot h ASP 57 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 2kot h ASP 57 Cb 0.54 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.80 2kot h ASP 57 CO 0.00 0.03 0.19 -0.08 -2.04 0.00 0.00 179.24 177.34 2kot h GLU 58 N 0.00 0.90 0.00 4.15 4.81 -2.00 -3.18 114.58 119.26 2kot h GLU 58 Ca -0.00 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.82 2kot h GLU 58 Cb 0.12 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2kot h GLU 58 CO 0.00 0.80 -1.69 1.63 -0.73 0.00 0.00 179.01 179.03 2kot n LYS 59 N -4.43 0.64 -0.10 1.92 4.01 -1.07 -4.30 118.16 114.83 2kot n LYS 59 Ca 0.03 0.17 0.10 0.00 -0.51 0.00 0.00 58.31 58.10 2kot n LYS 59 Cb 0.20 -1.73 0.46 0.00 -0.51 0.00 0.00 35.03 33.44 2kot n LYS 59 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2kot h MET 60 N 0.00 0.49 -0.67 1.97 4.05 -1.18 -1.99 114.93 117.60 2kot h MET 60 Ca -0.25 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.07 2kot h MET 60 Cb 1.75 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 32.41 2kot h MET 60 CO 0.05 0.33 0.14 0.87 0.23 0.00 0.00 176.91 178.52 2kot h LYS 61 N 0.51 1.08 -0.13 0.39 1.79 -1.74 -1.53 116.57 116.94 2kot h LYS 61 Ca 0.28 -0.27 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2kot h LYS 61 Cb 0.44 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2kot h LYS 61 CO -0.08 0.97 -0.39 0.77 -1.08 0.00 0.00 179.45 179.63 2kot h SER 62 N 1.02 0.31 0.21 0.86 0.02 -1.60 -3.22 113.55 111.14 2kot h SER 62 Ca 0.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2kot h SER 62 Cb 0.39 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2kot h SER 62 CO 0.01 0.68 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.20 2kot h LEU 63 N 0.25 -0.24 -6.14 5.07 3.38 -1.25 -3.35 115.31 113.04 2kot h LEU 63 Ca 0.02 -0.29 -0.76 0.00 0.09 0.00 0.00 57.88 56.94 2kot h LEU 63 Cb 0.81 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.45 2kot h LEU 63 CO 0.06 0.28 1.96 -0.67 0.09 0.00 0.00 178.44 180.16 2kot n ASP 64 N -4.98 6.71 -0.00 -0.43 2.03 -0.59 -4.53 116.55 114.76 2kot n ASP 64 Ca -0.08 -3.22 -0.15 0.00 0.52 0.00 0.00 54.79 51.86 2kot n ASP 64 Cb 0.26 -1.37 -0.14 0.00 -0.72 0.00 0.00 41.12 39.14 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 3.07 0.76 -0.14 5.18 3.04 -1.69 -3.35 116.25 123.12 2kot h VAL 65 Ca 0.52 -2.54 -0.11 0.00 -1.01 0.00 0.00 66.70 63.56 2kot h VAL 65 Cb 0.46 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 2kot h VAL 65 CO 1.49 0.70 -0.39 -1.13 -1.01 0.00 0.00 177.57 177.23 2kot h ASN 66 N 0.04 0.33 -4.75 3.17 -1.24 -1.92 -3.49 115.58 107.72 2kot h ASN 66 Ca -0.35 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.53 2kot h ASN 66 Cb 2.02 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.98 2kot h ASN 66 CO 0.09 0.69 -0.49 0.00 -1.29 0.00 0.00 177.43 176.43 2kot n GLN 67 N -4.04 -2.09 -0.44 6.67 6.02 -1.26 -5.03 117.38 117.21 2kot n GLN 67 Ca -0.01 1.91 0.00 0.00 -0.01 0.00 0.00 57.00 58.88 2kot n GLN 67 Cb 0.47 -4.68 0.00 0.00 1.02 0.00 0.00 30.24 27.06 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 -0.11 0.00 -2.04 1.08 2.03 -1.26 -5.02 116.55 111.23 2kot n ASP 68 Ca 0.07 -1.47 -0.20 0.00 0.52 0.00 0.00 54.79 53.72 2kot n ASP 68 Cb 0.27 -0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 40.53 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 -5.45 -3.72 1.67 2.88 -1.26 -4.98 113.62 102.76 2kot n SER 69 Ca 0.00 0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.62 2kot n SER 69 Cb 0.59 -4.67 -0.14 0.00 -0.75 0.00 0.00 64.21 59.24 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 -4.44 0.11 -0.97 -1.46 2.02 -1.26 -4.74 118.70 107.96 2kot s GLU 70 Ca 0.00 0.48 -0.07 0.00 0.02 0.00 0.00 54.97 55.40 2kot s GLU 70 Cb 0.00 -0.18 0.24 0.00 0.10 0.00 0.00 34.13 34.30 2kot s GLU 70 CO 0.00 -0.21 0.90 -0.51 0.02 0.00 0.00 175.26 175.47 2kot s LEU 71 N 1.54 6.04 0.72 1.80 1.02 -0.62 -4.94 118.68 124.25 2kot s LEU 71 Ca -0.06 -3.48 -0.13 0.00 0.02 0.00 0.00 54.13 50.49 2kot s LEU 71 Cb -0.11 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.05 2kot s LEU 71 CO -0.07 -0.29 1.12 -0.75 0.02 0.00 0.00 176.35 176.38 2kot s LYS 72 N -1.03 2.42 0.51 1.70 2.47 -1.26 -1.22 119.74 123.32 2kot s LYS 72 Ca 0.27 1.38 0.22 0.00 -1.56 0.00 0.00 55.97 56.28 2kot s LYS 72 Cb -0.10 -1.90 1.30 0.00 -1.46 0.00 0.00 37.83 35.67 2kot s LYS 72 CO -0.09 -1.55 2.00 0.74 0.16 0.00 0.00 175.35 176.61 2kot h PHE 73 N -0.51 0.11 0.00 4.03 -1.00 -1.94 1.14 116.94 118.77 2kot h PHE 73 Ca -0.46 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.27 2kot h PHE 73 Cb 1.25 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.77 2kot h PHE 73 CO 0.54 0.05 -0.26 -0.97 -1.61 0.00 0.00 178.31 176.06 2kot h ASN 74 N 0.10 0.00 0.00 2.17 -1.24 -1.91 -1.29 115.58 113.40 2kot h ASN 74 Ca 0.24 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.88 2kot h ASN 74 Cb 0.83 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.82 2kot h ASN 74 CO -0.02 0.26 -2.38 -0.62 -1.29 0.00 0.00 177.43 173.37 2kot n GLU 75 N -3.77 0.72 0.00 6.67 4.71 0.29 -4.43 120.64 124.83 2kot n GLU 75 Ca -0.01 0.02 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 2kot n GLU 75 Cb 0.36 -1.51 0.70 0.00 -1.01 0.00 0.00 31.44 29.98 2kot n GLU 75 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2kot n TYR 76 N -2.83 0.00 0.30 -0.32 9.36 0.37 -3.89 117.16 120.16 2kot n TYR 76 Ca -0.35 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.04 2kot n TYR 76 Cb 1.12 -0.18 0.77 0.00 -0.63 0.00 0.00 39.34 40.43 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 0.38 0.00 -0.40 2.98 7.01 -1.45 -2.60 115.95 121.89 2kot h TRP 77 Ca 0.00 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2kot h TRP 77 Cb 0.29 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 2kot h TRP 77 CO 0.00 0.00 0.01 0.00 -2.79 0.00 0.00 178.44 175.66 2kot h ARG 78 N 0.00 0.63 0.16 2.65 2.47 -1.87 -1.53 114.38 116.88 2kot h ARG 78 Ca 0.00 -0.14 -0.30 0.00 -1.26 0.00 0.00 59.98 58.27 2kot h ARG 78 Cb 0.26 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2kot h ARG 78 CO 0.00 0.64 -1.41 1.25 0.56 0.00 0.00 179.97 181.01 2kot h LEU 79 N 0.60 0.52 -0.85 3.04 5.85 -1.77 -3.00 115.31 119.69 2kot h LEU 79 Ca 0.13 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.27 2kot h LEU 79 Cb 0.36 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2kot h LEU 79 CO 0.01 1.49 0.54 0.40 -0.34 0.00 0.00 178.44 180.55 2kot h ILE 80 N 0.09 1.11 -0.39 4.05 1.08 -1.39 0.58 117.51 122.65 2kot h ILE 80 Ca -0.21 -0.36 -0.15 0.00 -0.39 0.00 0.00 64.86 63.76 2kot h ILE 80 Cb 2.04 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 2kot h ILE 80 CO 0.21 0.19 -0.33 1.23 -0.69 0.00 0.00 178.15 178.76 2kot h GLY 81 N 1.04 0.96 2.00 5.37 0.00 -1.38 -3.00 103.07 108.06 2kot h GLY 81 Ca 0.35 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 2kot h GLY 81 CO -0.13 0.84 -0.09 0.83 0.00 0.00 0.00 176.54 177.99 2kot h GLU 82 N 0.74 0.00 -0.21 4.80 4.39 -1.23 -2.04 114.58 121.03 2kot h GLU 82 Ca 0.07 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2kot h GLU 82 Cb 0.90 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2kot h GLU 82 CO 0.08 0.09 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.94 2kot h LEU 83 N 0.00 0.37 0.00 1.33 4.07 0.29 0.32 115.31 121.69 2kot h LEU 83 Ca -0.00 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2kot h LEU 83 Cb 0.71 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2kot h LEU 83 CO 0.01 0.60 -0.24 0.00 -1.08 0.00 0.00 178.44 177.73 2kot n ALA 84 N -2.34 2.71 -0.03 1.53 0.00 -1.20 -3.98 120.51 117.20 2kot n ALA 84 Ca -0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 2kot n ALA 84 Cb 0.24 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 2kot n ALA 84 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kot h LYS 85 N 0.00 0.17 -2.09 0.00 3.64 -1.27 -3.39 116.57 113.63 2kot h LYS 85 Ca 0.00 -0.29 -0.52 0.00 -1.27 0.00 0.00 60.65 58.56 2kot h LYS 85 Cb 0.61 0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 32.38 2kot h LYS 85 CO 0.00 1.14 0.65 0.39 -2.27 0.00 0.00 179.45 179.36 2kot n GLU 86 N -3.90 2.70 0.00 1.90 1.02 0.09 -3.56 120.64 118.88 2kot n GLU 86 Ca -0.30 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.39 2kot n GLU 86 Cb 0.89 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.06 0.00 -0.06 -3.67 0.00 -1.26 -4.46 119.36 110.97 2kot n ILE 87 Ca 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 62.75 63.20 2kot n ILE 87 Cb 0.52 -0.63 -0.10 0.00 0.00 0.00 0.00 39.64 39.43 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 -2.49 1.81 -1.13 9.51 0.00 -1.26 -4.68 116.66 118.42 2kot n ARG 88 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.85 57.79 2kot n ARG 88 Cb 0.44 -1.33 0.14 0.00 -0.00 0.00 0.00 32.46 31.70 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 -2.45 2.34 -0.13 2.89 2.85 -1.23 -4.77 118.16 117.66 2kot n LYS 89 Ca -0.20 -3.63 -0.05 0.00 -1.05 0.00 0.00 58.31 53.38 2kot n LYS 89 Cb 0.89 -1.86 0.15 0.00 -0.65 0.00 0.00 35.03 33.56 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 1.44 0.84 -1.59 -1.58 -0.00 -1.80 -3.33 116.57 110.55 2kot h LYS 90 Ca 0.14 -0.22 -0.43 0.00 -0.00 0.00 0.00 60.65 60.14 2kot h LYS 90 Cb 1.20 -0.10 -0.37 0.00 -0.00 0.00 0.00 32.23 32.96 2kot h LYS 90 CO 0.28 0.82 -1.11 1.63 -0.00 0.00 0.00 179.45 181.07 2kot n LYS 91 N -4.22 1.01 0.26 0.07 5.02 -1.26 -4.97 118.16 114.07 2kot n LYS 91 Ca 0.03 -3.19 0.10 0.00 -2.02 0.00 0.00 58.31 53.23 2kot n LYS 91 Cb 0.29 -1.52 0.70 0.00 -0.02 0.00 0.00 35.03 34.48 2kot n LYS 91 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2kot h ASP 92 N 2.98 0.00 -0.11 4.39 2.03 -1.67 0.04 116.42 124.08 2kot h ASP 92 Ca 0.04 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.23 2kot h ASP 92 Cb 1.03 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.52 2kot h ASP 92 CO 0.45 0.06 -0.28 0.25 -1.03 0.00 0.00 179.24 178.70 2kot h LEU 93 N 0.00 0.58 0.00 0.15 5.85 -1.93 -3.38 115.31 116.58 2kot h LEU 93 Ca -0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2kot h LEU 93 Cb 0.13 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2kot h LEU 93 CO 0.01 0.84 -0.75 1.17 -0.34 0.00 0.00 178.44 179.37 2kot n LYS 94 N -4.10 0.46 -4.29 1.25 3.00 -1.00 -5.01 118.16 108.47 2kot n LYS 94 Ca -0.01 0.30 -0.32 0.00 -0.00 0.00 0.00 58.31 58.29 2kot n LYS 94 Cb 0.44 -1.44 -0.09 0.00 0.00 0.00 0.00 35.03 33.94 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 -2.52 4.02 -0.35 3.15 -4.36 -0.03 -5.06 121.20 116.03 2kot s ILE 95 Ca -0.22 -0.72 0.15 0.00 -0.26 0.00 0.00 60.65 59.60 2kot s ILE 95 Cb 0.03 -2.81 0.43 0.00 1.25 0.00 0.00 42.46 41.36 2kot s ILE 95 CO 0.32 0.33 1.09 -2.11 0.24 0.00 0.00 174.94 174.81 2kot n ARG 96 N 1.26 1.16 -3.36 0.37 1.85 -1.26 -3.62 116.66 113.05 2kot n ARG 96 Ca -0.14 -2.73 0.02 0.00 -1.00 0.00 0.00 57.85 54.00 2kot n ARG 96 Cb 0.52 -0.82 -0.04 0.00 -1.05 0.00 0.00 32.46 31.07 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 -1.89 0.23 0.00 2.89 -2.85 -1.26 -5.17 119.74 111.68 2kot s LYS 97 Ca 0.25 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 55.78 2kot s LYS 97 Cb 0.43 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.52 2kot s LYS 97 CO -0.01 -0.08 0.00 1.17 0.10 0.00 0.00 175.35 176.54