#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 -0.22 -0.61 3.17 0.00 -1.26 -5.13 121.76 117.71 2kot s ALA 2 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 2kot s ALA 2 Cb 0.00 1.07 0.13 0.00 0.00 0.00 0.00 23.12 24.32 2kot s ALA 2 CO 0.00 -0.85 0.65 0.00 0.00 0.00 0.00 175.76 175.55 2kot s ALA 3 N -3.99 3.59 -0.11 0.00 0.00 -1.26 -5.06 121.76 114.94 2kot s ALA 3 Ca 0.23 -2.51 0.01 0.00 0.00 0.00 0.00 51.96 49.68 2kot s ALA 3 Cb -0.01 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2kot s ALA 3 CO 0.09 -2.23 -0.13 -2.00 0.00 0.00 0.00 175.76 171.49 2kot s GLU 4 N 1.93 3.13 0.39 0.00 2.12 -1.26 -4.91 118.70 120.10 2kot s GLU 4 Ca 0.10 -0.67 -0.23 0.00 0.36 0.00 0.00 54.97 54.52 2kot s GLU 4 Cb -0.24 -2.57 -0.10 0.00 0.26 0.00 0.00 34.13 31.47 2kot s GLU 4 CO 0.02 0.35 0.97 -1.25 -0.54 0.00 0.00 175.26 174.81 2kot s PRO 5 N -0.00 4.32 0.01 4.30 0.04 -1.26 -4.94 135.00 137.46 2kot s PRO 5 Ca -0.03 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2kot s PRO 5 Cb -0.14 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2kot s PRO 5 CO 0.04 0.04 0.00 1.28 0.04 0.00 0.00 177.00 178.40 2kot n LEU 6 N -0.16 -0.00 -4.91 -3.56 4.77 -1.26 -5.02 117.00 106.85 2kot n LEU 6 Ca 0.05 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.82 2kot n LEU 6 Cb 0.52 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2kot n LEU 6 CO 0.41 -0.51 0.07 0.42 -1.33 0.00 0.00 177.39 176.44 2kot s THR 7 N -1.04 2.19 0.16 -5.08 -4.23 -1.26 -4.95 115.64 101.44 2kot s THR 7 Ca 0.00 -1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 2kot s THR 7 Cb 0.00 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.33 2kot s THR 7 CO 0.00 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 175.82 2kot h GLU 8 N 0.81 0.58 -0.10 3.99 4.81 -2.01 0.14 114.58 122.80 2kot h GLU 8 Ca -0.38 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.58 2kot h GLU 8 Cb 1.28 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2kot h GLU 8 CO 0.55 0.39 -0.87 -0.07 -0.73 0.00 0.00 179.01 178.28 2kot h LEU 9 N 0.60 0.91 -1.17 1.64 3.38 -2.01 -2.96 115.31 115.71 2kot h LEU 9 Ca 0.17 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2kot h LEU 9 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2kot h LEU 9 CO -0.05 1.44 -0.10 -0.33 0.09 0.00 0.00 178.44 179.50 2kot h GLU 10 N 0.48 0.46 -0.06 1.13 5.08 -1.94 -2.68 114.58 117.05 2kot h GLU 10 Ca -0.08 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 2kot h GLU 10 Cb 1.51 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2kot h GLU 10 CO 0.17 0.57 -0.37 1.49 -1.00 0.00 0.00 179.01 179.87 2kot h GLU 11 N 0.43 0.13 0.68 2.33 4.81 -0.96 -1.78 114.58 120.23 2kot h GLU 11 Ca 0.09 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2kot h GLU 11 Cb 0.44 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2kot h GLU 11 CO 0.02 0.49 -0.33 0.77 -0.73 0.00 0.00 179.01 179.24 2kot h SER 12 N 0.11 -0.77 0.44 1.04 0.02 -1.31 0.30 113.55 113.38 2kot h SER 12 Ca 0.01 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2kot h SER 12 Cb 0.72 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2kot h SER 12 CO 0.05 -0.45 -0.27 0.16 -1.14 0.00 0.00 176.83 175.18 2kot h ILE 13 N -1.09 0.96 -0.22 3.27 -0.00 -1.61 -3.00 117.51 115.82 2kot h ILE 13 Ca -0.09 -1.02 -0.17 0.00 -0.00 0.00 0.00 64.86 63.58 2kot h ILE 13 Cb 0.73 1.59 0.00 0.00 -0.00 0.00 0.00 36.82 39.14 2kot h ILE 13 CO 0.15 0.27 -0.51 -0.08 -0.00 0.00 0.00 178.15 177.98 2kot h GLU 14 N 0.00 0.74 -0.42 0.16 4.22 -1.26 -3.20 114.58 114.82 2kot h GLU 14 Ca -0.00 -0.50 -0.01 0.00 0.08 0.00 0.00 59.36 58.93 2kot h GLU 14 Cb 0.56 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2kot h GLU 14 CO 0.04 1.12 0.21 1.15 -2.18 0.00 0.00 179.01 179.34 2kot h THR 15 N 0.47 1.14 -0.08 0.32 2.02 -0.79 -2.13 112.91 113.86 2kot h THR 15 Ca -0.00 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 2kot h THR 15 Cb 1.12 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2kot h THR 15 CO 0.11 0.16 -0.44 0.58 0.37 0.00 0.00 175.52 176.30 2kot h VAL 16 N 0.58 1.32 0.01 3.16 2.07 -1.56 -2.61 116.25 119.22 2kot h VAL 16 Ca 0.15 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 2kot h VAL 16 Cb 0.05 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2kot h VAL 16 CO -0.02 0.47 -0.00 0.58 0.02 0.00 0.00 177.57 178.61 2kot h VAL 17 N 0.15 1.48 -0.36 2.57 2.07 -1.44 -3.25 116.25 117.47 2kot h VAL 17 Ca 0.01 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2kot h VAL 17 Cb 0.84 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2kot h VAL 17 CO 0.07 0.38 0.24 0.71 0.02 0.00 0.00 177.57 178.98 2kot h THR 18 N -0.65 1.09 -0.53 2.57 1.35 -1.41 0.01 112.91 115.35 2kot h THR 18 Ca -0.00 -0.17 -0.05 0.00 -0.55 0.00 0.00 66.41 65.64 2kot h THR 18 Cb 0.63 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 2kot h THR 18 CO 0.00 0.09 0.14 0.74 -0.25 0.00 0.00 175.52 176.24 2kot h THR 19 N 0.49 1.24 0.04 6.82 2.02 -1.61 -3.19 112.91 118.71 2kot h THR 19 Ca 0.13 -0.84 -0.29 0.00 0.77 0.00 0.00 66.41 66.18 2kot h THR 19 Cb -0.06 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2kot h THR 19 CO -0.03 0.31 -1.61 0.15 0.37 0.00 0.00 175.52 174.71 2kot h PHE 20 N 0.74 0.14 0.00 3.16 3.57 -1.58 -3.35 116.94 119.62 2kot h PHE 20 Ca 0.17 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2kot h PHE 20 Cb 0.32 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2kot h PHE 20 CO 0.02 1.17 0.00 0.74 -2.23 0.00 0.00 178.31 178.01 2kot h PHE 21 N 0.02 0.00 -0.23 0.41 -1.00 -1.05 -1.57 116.94 113.52 2kot h PHE 21 Ca -0.25 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 2kot h PHE 21 Cb 1.98 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.53 2kot h PHE 21 CO 0.02 0.00 0.04 1.15 -1.61 0.00 0.00 178.31 177.92 2kot h THR 22 N 0.00 1.12 0.00 -1.55 2.02 -1.69 -2.53 112.91 110.28 2kot h THR 22 Ca 0.00 -0.43 -0.18 0.00 0.77 0.00 0.00 66.41 66.57 2kot h THR 22 Cb 0.24 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2kot h THR 22 CO 0.00 0.15 -1.93 0.49 0.37 0.00 0.00 175.52 174.60 2kot n PHE 23 N -4.39 0.00 0.26 3.16 3.72 -0.97 -4.54 117.46 114.70 2kot n PHE 23 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 2kot n PHE 23 Cb 0.16 -0.61 0.56 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.99 1.00 0.00 4.37 0.00 -1.28 -3.16 119.26 121.18 2kot h ALA 24 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kot h ALA 24 Cb 1.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kot h ALA 24 CO 0.01 0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.22 2kot n ARG 25 N -3.16 0.17 -0.05 0.00 1.85 -0.96 -3.36 116.66 111.15 2kot n ARG 25 Ca 0.01 0.45 -0.14 0.00 -1.00 0.00 0.00 57.85 57.16 2kot n ARG 25 Cb 0.37 -1.85 -0.07 0.00 -1.05 0.00 0.00 32.46 29.85 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 0.00 0.49 0.00 2.89 4.15 -1.85 -3.45 115.11 117.33 2kot h GLN 26 Ca 0.00 -0.31 -0.36 0.00 0.77 0.00 0.00 58.65 58.75 2kot h GLN 26 Cb 0.29 0.04 0.14 0.00 0.21 0.00 0.00 27.48 28.16 2kot h GLN 26 CO 0.00 0.92 0.32 0.39 -1.93 0.00 0.00 178.83 178.53 2kot n GLU 27 N -4.37 -0.97 -1.64 1.69 -0.58 -1.22 -4.99 120.64 108.56 2kot n GLU 27 Ca -0.06 -1.74 -0.47 0.00 -0.42 0.00 0.00 57.16 54.47 2kot n GLU 27 Cb 0.48 -1.07 -0.04 0.00 -0.57 0.00 0.00 31.44 30.24 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 -2.07 0.65 1.38 0.62 0.00 -1.26 -4.64 105.19 99.86 2kot n GLY 28 Ca 0.14 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 2.28 -3.91 0.06 1.61 3.00 -1.26 -4.62 116.66 113.82 2kot n ARG 29 Ca 0.14 2.86 -0.06 0.00 -0.01 0.00 0.00 57.85 60.78 2kot n ARG 29 Cb 0.28 -3.19 -0.11 0.00 0.00 0.00 0.00 32.46 29.44 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 1.86 0.00 0.00 5.56 1.79 -1.87 -3.29 116.57 120.62 2kot h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kot h LYS 30 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2kot h LYS 30 CO 0.00 0.89 -0.28 -0.25 -1.08 0.00 0.00 179.45 178.73 2kot n ASP 31 N -3.30 0.63 -4.92 0.86 8.00 -1.26 -4.65 116.55 111.91 2kot n ASP 31 Ca -0.02 0.31 -0.29 0.00 0.71 0.00 0.00 54.79 55.51 2kot n ASP 31 Cb 0.93 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 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 -4.06 6.39 0.11 -2.24 0.15 -1.24 -4.06 113.70 108.75 2kot s SER 32 Ca 0.09 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.12 2kot s SER 32 Cb 0.14 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2kot s SER 32 CO 0.64 0.04 0.22 -0.76 1.20 0.00 0.00 173.24 174.58 2kot s LEU 33 N -3.02 4.24 0.33 3.45 1.02 -0.40 -4.76 118.68 119.53 2kot s LEU 33 Ca 0.37 0.16 -0.20 0.00 0.02 0.00 0.00 54.13 54.49 2kot s LEU 33 Cb -0.12 -2.83 -0.10 0.00 0.02 0.00 0.00 46.19 43.16 2kot s LEU 33 CO 0.28 0.11 0.83 -0.55 0.02 0.00 0.00 176.35 177.04 2kot s SER 34 N -2.85 6.98 0.49 2.29 0.15 -1.26 -1.92 113.70 117.58 2kot s SER 34 Ca 0.34 1.53 0.28 0.00 0.70 0.00 0.00 55.95 58.79 2kot s SER 34 Cb -0.12 -2.47 1.12 0.00 -1.71 0.00 0.00 66.02 62.85 2kot s SER 34 CO 0.27 -0.18 1.90 1.62 1.20 0.00 0.00 173.24 178.06 2kot h VAL 35 N 2.22 0.33 0.00 4.45 3.04 -1.98 -3.03 116.25 121.28 2kot h VAL 35 Ca -0.48 -0.84 -0.33 0.00 -1.01 0.00 0.00 66.70 64.04 2kot h VAL 35 Cb 1.18 1.64 -0.06 0.00 -2.01 0.00 0.00 31.29 32.04 2kot h VAL 35 CO 0.64 0.12 -2.29 -3.20 -1.01 0.00 0.00 177.57 171.83 2kot n ASN 36 N -3.28 0.27 0.01 3.17 5.15 -1.26 -4.30 115.26 115.01 2kot n ASN 36 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 2kot n ASN 36 Cb 0.37 1.04 -0.02 0.00 -0.53 0.00 0.00 39.78 40.64 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 0.00 0.62 -0.51 1.20 5.08 -1.97 -2.85 114.58 116.14 2kot h GLU 37 Ca -0.48 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.30 2kot h GLU 37 Cb 2.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 2kot h GLU 37 CO 0.03 1.11 -0.05 0.27 -1.00 0.00 0.00 179.01 179.36 2kot h PHE 38 N 0.43 0.98 -0.66 4.33 -0.00 -1.77 -2.33 116.94 117.92 2kot h PHE 38 Ca -0.03 -0.17 -0.09 0.00 -0.00 0.00 0.00 57.97 57.68 2kot h PHE 38 Cb 1.32 -0.26 -0.03 0.00 -0.00 0.00 0.00 35.95 36.99 2kot h PHE 38 CO 0.06 0.91 0.08 -0.22 -0.00 0.00 0.00 178.31 179.15 2kot h LYS 39 N 0.82 1.12 -0.27 6.09 3.64 -1.74 -2.73 116.57 123.49 2kot h LYS 39 Ca 0.14 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 2kot h LYS 39 Cb 0.56 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2kot h LYS 39 CO 0.03 1.03 -0.17 0.93 -2.27 0.00 0.00 179.45 179.01 2kot h GLU 40 N 1.04 0.47 -0.53 1.90 5.08 -1.35 -2.75 114.58 118.44 2kot h GLU 40 Ca 0.20 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2kot h GLU 40 Cb 0.48 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2kot h GLU 40 CO 0.02 0.63 0.01 1.25 -1.00 0.00 0.00 179.01 179.91 2kot h LEU 41 N 0.43 0.86 -0.96 1.33 5.85 -1.21 -2.81 115.31 118.79 2kot h LEU 41 Ca 0.08 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2kot h LEU 41 Cb 0.54 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2kot h LEU 41 CO 0.04 0.91 -0.42 0.58 -0.34 0.00 0.00 178.44 179.21 2kot h VAL 42 N 0.82 1.31 -0.91 1.05 2.07 -1.26 0.17 116.25 119.50 2kot h VAL 42 Ca 0.16 -1.53 -0.43 0.00 0.82 0.00 0.00 66.70 65.72 2kot h VAL 42 Cb 0.48 1.71 -0.26 0.00 -1.52 0.00 0.00 31.29 31.70 2kot h VAL 42 CO 0.02 0.45 0.54 0.41 0.02 0.00 0.00 177.57 179.01 2kot n THR 43 N -4.02 3.12 0.18 2.57 -1.04 -1.06 -2.01 114.28 112.02 2kot n THR 43 Ca -0.02 -1.90 0.00 0.00 -2.04 0.00 0.00 64.05 60.09 2kot n THR 43 Cb 0.48 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.93 0.00 -0.00 -2.82 7.27 -1.08 -4.97 117.38 114.85 2kot n GLN 44 Ca 0.54 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.70 2kot n GLN 44 Cb 1.58 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 34.12 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 -3.34 0.98 -2.72 3.69 7.27 -0.04 -4.69 117.38 118.53 2kot n GLN 45 Ca 0.00 -0.08 -0.13 0.00 0.07 0.00 0.00 57.00 56.86 2kot n GLN 45 Cb 0.00 -1.36 0.02 0.00 2.41 0.00 0.00 30.24 31.31 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 -1.75 1.92 0.03 1.69 7.94 0.39 -4.94 117.00 122.28 2kot n LEU 46 Ca 0.00 -4.17 -0.12 0.00 -1.11 0.00 0.00 56.01 50.61 2kot n LEU 46 Cb 0.36 0.31 -0.14 0.00 0.53 0.00 0.00 43.42 44.49 2kot n LEU 46 CO 0.35 1.78 -0.31 1.55 -1.11 0.00 0.00 177.39 179.66 2kot h PRO 47 N 2.94 0.11 -0.41 1.96 0.13 -1.64 -3.34 132.00 131.75 2kot h PRO 47 Ca -0.01 -0.20 -0.15 0.00 -0.87 0.00 0.00 66.00 64.78 2kot h PRO 47 Cb 1.09 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kot h PRO 47 CO 0.56 0.90 -0.34 0.45 -0.23 0.00 0.00 178.00 179.34 2kot h HIS 48 N 0.03 1.10 0.48 1.56 3.86 -1.92 -3.32 115.15 116.94 2kot h HIS 48 Ca -0.21 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 58.67 2kot h HIS 48 Cb 1.96 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 30.19 2kot h HIS 48 CO 0.03 1.13 -0.23 1.25 0.86 0.00 0.00 177.93 180.97 2kot h LEU 49 N 0.78 -0.54 -8.42 2.43 5.85 -1.96 -3.39 115.31 110.05 2kot h LEU 49 Ca 0.07 -0.07 -0.68 0.00 0.84 0.00 0.00 57.88 58.05 2kot h LEU 49 Cb 0.92 0.14 -0.17 0.00 0.37 0.00 0.00 40.66 41.92 2kot h LEU 49 CO 0.09 -0.23 0.08 -0.76 -0.34 0.00 0.00 178.44 177.28 2kot s LEU 50 N -9.69 4.85 0.52 2.25 1.43 -1.25 -4.69 118.68 112.10 2kot s LEU 50 Ca -0.15 -0.81 0.18 0.00 -1.03 0.00 0.00 54.13 52.32 2kot s LEU 50 Cb 0.02 -2.50 1.30 0.00 0.03 0.00 0.00 46.19 45.05 2kot s LEU 50 CO 0.54 -0.90 2.13 0.07 0.23 0.00 0.00 176.35 178.43 2kot h LYS 51 N 9.00 0.00 -3.51 1.70 2.10 -1.78 -3.30 116.57 120.78 2kot h LYS 51 Ca -0.27 0.00 -0.77 0.00 -2.00 0.00 0.00 60.65 57.61 2kot h LYS 51 Cb 1.09 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.23 2kot h LYS 51 CO 0.96 0.04 1.60 -0.25 -2.00 0.00 0.00 179.45 179.80 2kot n ASP 52 N -4.38 5.43 -0.02 7.07 8.00 -1.26 -4.77 116.55 126.62 2kot n ASP 52 Ca -0.03 -3.16 -0.14 0.00 0.71 0.00 0.00 54.79 52.17 2kot n ASP 52 Cb 0.12 -1.44 -0.02 0.00 -0.02 0.00 0.00 41.12 39.77 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 3.76 1.30 0.00 2.53 -1.51 -1.89 -3.28 116.25 117.17 2kot h VAL 53 Ca 0.33 -1.91 -0.25 0.00 -1.23 0.00 0.00 66.70 63.64 2kot h VAL 53 Cb 0.66 1.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.66 2kot h VAL 53 CO 1.49 0.60 -1.57 1.23 -1.23 0.00 0.00 177.57 178.10 2kot h GLY 54 N 0.83 0.00 -5.34 5.19 0.00 -1.94 -3.39 103.07 98.42 2kot h GLY 54 Ca -0.02 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.55 2kot h GLY 54 CO 0.13 0.00 1.06 -1.26 0.00 0.00 0.00 176.54 176.47 2kot n SER 55 N -3.01 7.44 0.12 0.19 2.88 -1.25 -4.62 113.62 115.37 2kot n SER 55 Ca -0.14 -3.74 0.12 0.00 -1.33 0.00 0.00 58.87 53.78 2kot n SER 55 Cb 0.97 -1.12 0.18 0.00 -0.75 0.00 0.00 64.21 63.50 2kot n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kot h LEU 56 N 3.47 0.00 -1.72 2.46 7.12 -1.75 -3.36 115.31 121.52 2kot h LEU 56 Ca 0.55 -0.07 0.22 0.00 0.13 0.00 0.00 57.88 58.71 2kot h LEU 56 Cb 0.16 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.23 2kot h LEU 56 CO 1.33 0.04 0.59 -2.24 -0.13 0.00 0.00 178.44 178.03 2kot h ASP 57 N 0.00 0.23 -0.85 1.25 3.04 -1.93 0.23 116.42 118.40 2kot h ASP 57 Ca 0.00 0.02 -0.03 0.00 -3.24 0.00 0.00 57.03 53.79 2kot h ASP 57 Cb 0.86 -0.02 -0.04 0.00 -1.04 0.00 0.00 39.33 39.09 2kot h ASP 57 CO 0.00 0.09 0.43 -0.08 -2.04 0.00 0.00 179.24 177.64 2kot h GLU 58 N 0.23 1.21 0.01 4.15 4.81 -1.98 -2.53 114.58 120.48 2kot h GLU 58 Ca 0.44 -0.16 -0.29 0.00 -0.13 0.00 0.00 59.36 59.22 2kot h GLU 58 Cb 1.35 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2kot h GLU 58 CO -0.10 0.91 -1.63 0.87 -0.73 0.00 0.00 179.01 178.33 2kot h LYS 59 N 1.21 0.03 -0.99 1.92 6.56 -1.48 -3.36 116.57 120.46 2kot h LYS 59 Ca 0.30 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.88 2kot h LYS 59 Cb 0.09 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.70 2kot h LYS 59 CO -0.04 0.63 0.64 1.98 -2.06 0.00 0.00 179.45 180.60 2kot h MET 60 N 0.01 1.20 -0.26 3.15 4.05 -0.50 -1.04 114.93 121.54 2kot h MET 60 Ca -0.26 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.00 2kot h MET 60 Cb 1.99 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 32.50 2kot h MET 60 CO 0.09 0.79 -0.22 0.87 0.23 0.00 0.00 176.91 178.68 2kot h LYS 61 N 1.24 0.48 -0.15 0.39 1.79 -1.62 -2.81 116.57 115.88 2kot h LYS 61 Ca 0.40 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.55 2kot h LYS 61 Cb 0.02 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2kot h LYS 61 CO -0.13 0.67 -0.54 0.77 -1.08 0.00 0.00 179.45 179.13 2kot h SER 62 N 0.43 0.49 0.57 0.86 0.02 -1.45 -3.34 113.55 111.14 2kot h SER 62 Ca 0.07 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2kot h SER 62 Cb 0.62 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2kot h SER 62 CO 0.04 0.94 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.33 2kot h LEU 63 N 0.34 -0.65 -6.95 5.07 3.38 -1.11 -3.35 115.31 112.04 2kot h LEU 63 Ca 0.01 -0.01 -0.72 0.00 0.09 0.00 0.00 57.88 57.24 2kot h LEU 63 Cb 1.06 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.86 2kot h LEU 63 CO 0.10 -0.25 2.17 -0.67 0.09 0.00 0.00 178.44 179.87 2kot n ASP 64 N -5.29 4.80 0.01 -0.43 2.03 -1.07 -4.52 116.55 112.08 2kot n ASP 64 Ca -0.10 -2.97 -0.03 0.00 0.52 0.00 0.00 54.79 52.20 2kot n ASP 64 Cb 0.32 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.01 2kot n ASP 64 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2kot n VAL 65 N 4.72 1.33 0.29 5.18 3.14 -1.26 -4.10 118.33 127.63 2kot n VAL 65 Ca 0.44 -0.73 0.17 0.00 -2.96 0.00 0.00 64.34 61.26 2kot n VAL 65 Cb 0.41 -0.84 0.70 0.00 -1.06 0.00 0.00 33.84 33.05 2kot n VAL 65 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2kot h ASN 66 N 0.00 0.00 -5.23 6.55 -1.24 -1.93 -3.48 115.58 110.25 2kot h ASN 66 Ca -0.21 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.57 2kot h ASN 66 Cb 1.74 0.00 0.18 0.00 0.73 0.00 0.00 38.32 40.97 2kot h ASN 66 CO 0.06 0.00 -0.78 0.00 -1.29 0.00 0.00 177.43 175.42 2kot n GLN 67 N -3.05 -2.04 -0.32 6.67 6.02 -1.26 -4.98 117.38 118.42 2kot n GLN 67 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2kot n GLN 67 Cb 0.29 -5.45 0.00 0.00 1.02 0.00 0.00 30.24 26.10 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 -3.07 0.00 -2.41 1.08 2.03 -1.26 -5.03 116.55 107.90 2kot n ASP 68 Ca -0.06 -1.51 -0.16 0.00 0.52 0.00 0.00 54.79 53.57 2kot n ASP 68 Cb 0.61 -0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.90 2kot n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kot n SER 69 N 0.00 -4.81 -3.80 1.67 7.64 -1.26 -4.98 113.62 108.08 2kot n SER 69 Ca 0.00 0.10 -0.25 0.00 1.01 0.00 0.00 58.87 59.73 2kot n SER 69 Cb 0.60 -4.04 -0.17 0.00 -1.01 0.00 0.00 64.21 59.59 2kot n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kot s GLU 70 N -5.01 0.86 -1.09 1.43 2.02 -1.26 -4.58 118.70 111.06 2kot s GLU 70 Ca 0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 2kot s GLU 70 Cb 0.00 -1.48 0.28 0.00 0.10 0.00 0.00 34.13 33.04 2kot s GLU 70 CO 0.00 -0.40 1.19 1.28 0.02 0.00 0.00 175.26 177.35 2kot n LEU 71 N 5.06 5.66 -4.76 1.80 4.32 -0.81 -4.90 117.00 123.37 2kot n LEU 71 Ca -0.09 -5.10 -0.31 0.00 -0.02 0.00 0.00 56.01 50.49 2kot n LEU 71 Cb 0.49 -1.39 0.09 0.00 -1.62 0.00 0.00 43.42 40.99 2kot n LEU 71 CO 0.13 1.46 0.70 -0.75 -1.22 0.00 0.00 177.39 177.71 2kot s LYS 72 N -1.71 2.21 0.55 3.23 2.20 -1.26 -1.28 119.74 123.67 2kot s LYS 72 Ca 0.31 1.23 0.26 0.00 -0.36 0.00 0.00 55.97 57.41 2kot s LYS 72 Cb -0.06 -1.89 1.45 0.00 -1.51 0.00 0.00 37.83 35.83 2kot s LYS 72 CO -0.03 -1.69 2.00 0.35 -0.36 0.00 0.00 175.35 175.61 2kot h PHE 73 N -1.06 0.00 -0.14 4.03 3.04 -1.96 1.22 116.94 122.07 2kot h PHE 73 Ca -0.44 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.41 2kot h PHE 73 Cb 1.24 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 2kot h PHE 73 CO 0.57 0.00 -0.35 -0.97 -2.02 0.00 0.00 178.31 175.54 2kot h ASN 74 N 0.00 0.29 0.11 0.41 -0.73 -1.94 -0.98 115.58 112.73 2kot h ASN 74 Ca 0.22 -0.11 -0.37 0.00 1.87 0.00 0.00 56.30 57.92 2kot h ASN 74 Cb 0.97 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.45 2kot h ASN 74 CO -0.00 0.62 -2.04 -0.62 -0.37 0.00 0.00 177.43 175.02 2kot n GLU 75 N -4.07 0.75 0.18 6.67 4.71 0.73 -4.17 120.64 125.44 2kot n GLU 75 Ca -0.01 0.25 0.14 0.00 -0.01 0.00 0.00 57.16 57.53 2kot n GLU 75 Cb 0.44 -1.69 0.59 0.00 -1.01 0.00 0.00 31.44 29.77 2kot n GLU 75 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 2kot h TYR 76 N 0.05 0.00 -0.57 -0.32 3.20 0.13 -3.20 116.97 116.25 2kot h TYR 76 Ca -0.44 0.00 0.17 0.00 3.14 0.00 0.00 58.73 61.60 2kot h TYR 76 Cb 2.01 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.26 2kot h TYR 76 CO 0.07 0.00 0.51 2.35 -1.64 0.00 0.00 178.16 179.45 2kot h TRP 77 N 0.00 0.00 -0.39 -3.82 7.01 -1.34 -1.00 115.95 116.41 2kot h TRP 77 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2kot h TRP 77 Cb 0.35 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 2kot h TRP 77 CO 0.00 0.00 0.14 0.00 -2.79 0.00 0.00 178.44 175.79 2kot h ARG 78 N 0.00 0.56 0.00 2.65 2.47 -1.84 -2.49 114.38 115.73 2kot h ARG 78 Ca 0.27 -0.08 -0.25 0.00 -1.26 0.00 0.00 59.98 58.66 2kot h ARG 78 Cb 1.28 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 2kot h ARG 78 CO -0.00 0.48 -1.54 1.25 0.56 0.00 0.00 179.97 180.72 2kot h LEU 79 N 0.56 0.00 -1.27 3.04 5.85 -1.47 -3.34 115.31 118.68 2kot h LEU 79 Ca 0.14 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2kot h LEU 79 Cb 0.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2kot h LEU 79 CO -0.01 0.89 0.50 0.40 -0.34 0.00 0.00 178.44 179.88 2kot h ILE 80 N 0.00 1.18 -0.29 4.05 1.08 -1.16 0.22 117.51 122.59 2kot h ILE 80 Ca -0.22 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 63.84 2kot h ILE 80 Cb 1.88 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2kot h ILE 80 CO 0.08 0.18 -0.04 1.23 -0.69 0.00 0.00 178.15 178.91 2kot h GLY 81 N 1.01 0.59 2.00 5.37 0.00 -1.60 -2.94 103.07 107.50 2kot h GLY 81 Ca 0.28 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2kot h GLY 81 CO -0.06 0.42 -0.15 0.83 0.00 0.00 0.00 176.54 177.58 2kot h GLU 82 N 0.31 0.00 -0.43 4.80 4.39 -1.58 -1.22 114.58 120.86 2kot h GLU 82 Ca 0.08 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 2kot h GLU 82 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2kot h GLU 82 CO 0.02 0.15 0.05 1.25 -1.16 0.00 0.00 179.01 179.32 2kot h LEU 83 N 0.00 0.70 0.00 1.33 5.85 -0.40 -2.22 115.31 120.57 2kot h LEU 83 Ca -0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2kot h LEU 83 Cb 0.62 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2kot h LEU 83 CO 0.02 0.80 -1.29 0.00 -0.34 0.00 0.00 178.44 177.62 2kot n ALA 84 N -2.39 2.84 -0.04 1.25 0.00 -1.16 -4.17 120.51 116.84 2kot n ALA 84 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 2kot n ALA 84 Cb 0.26 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 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 0.09 -0.09 0.00 3.64 -1.24 -3.35 116.57 115.62 2kot h LYS 85 Ca 0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2kot h LYS 85 Cb 0.93 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2kot h LYS 85 CO 0.00 0.95 0.06 0.93 -2.27 0.00 0.00 179.45 179.11 2kot h GLU 86 N -0.71 0.12 -0.81 1.90 4.39 -1.60 -2.28 114.58 115.59 2kot h GLU 86 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2kot h GLU 86 Cb 1.02 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 2kot h GLU 86 CO 0.03 0.09 0.47 0.97 -1.16 0.00 0.00 179.01 179.41 2kot h ILE 87 N 0.13 1.23 -0.66 3.13 -0.00 -1.73 0.27 117.51 119.88 2kot h ILE 87 Ca 0.03 -0.53 0.00 0.00 -0.00 0.00 0.00 64.86 64.37 2kot h ILE 87 Cb -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 36.82 36.91 2kot h ILE 87 CO -0.01 0.25 0.00 -2.11 -0.00 0.00 0.00 178.15 176.28 2kot n ARG 88 N -4.36 2.80 0.00 2.19 1.85 -1.03 -4.70 116.66 113.40 2kot n ARG 88 Ca 0.09 -2.57 0.00 0.00 -1.00 0.00 0.00 57.85 54.37 2kot n ARG 88 Cb 0.08 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 2kot n ARG 88 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2kot n LYS 89 N 1.42 0.00 0.07 2.89 2.85 -0.89 -5.05 118.16 119.45 2kot n LYS 89 Ca 0.22 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.27 2kot n LYS 89 Cb 0.60 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.84 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 0.00 0.46 -2.14 -1.58 -0.00 -0.69 -3.39 116.57 109.22 2kot h LYS 90 Ca 0.00 -0.66 -0.57 0.00 -0.00 0.00 0.00 60.65 59.42 2kot h LYS 90 Cb 0.00 0.23 -0.41 0.00 -0.00 0.00 0.00 32.23 32.05 2kot h LYS 90 CO 0.00 1.29 -0.81 1.63 -0.00 0.00 0.00 179.45 181.56 2kot n LYS 91 N -3.99 2.08 -1.17 0.07 5.02 -1.26 -5.02 118.16 113.89 2kot n LYS 91 Ca -0.14 -4.20 -0.39 0.00 -2.02 0.00 0.00 58.31 51.56 2kot n LYS 91 Cb 0.89 -1.94 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 2kot n LYS 91 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kot n ASP 92 N 0.59 3.27 0.00 4.39 5.75 -1.26 -2.81 116.55 126.48 2kot n ASP 92 Ca 0.27 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2kot n ASP 92 Cb 0.47 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 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 6.63 0.00 -0.08 -2.12 7.94 -1.26 -5.01 117.00 123.09 2kot n LEU 93 Ca 0.50 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.28 2kot n LEU 93 Cb 0.35 0.17 -0.06 0.00 0.53 0.00 0.00 43.42 44.40 2kot n LEU 93 CO 0.96 -0.17 -0.30 0.50 -1.11 0.00 0.00 177.39 177.27 2kot h LYS 94 N 0.00 0.00 -6.24 1.96 1.63 -1.98 -3.47 116.57 108.46 2kot h LYS 94 Ca 0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 2kot h LYS 94 Cb 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 31.38 2kot h LYS 94 CO 0.00 0.50 -0.79 0.96 -3.45 0.00 0.00 179.45 176.66 2kot s ILE 95 N -2.21 2.86 -0.22 2.00 -4.36 -1.12 -5.05 121.20 113.11 2kot s ILE 95 Ca -0.19 -0.79 0.21 0.00 -0.26 0.00 0.00 60.65 59.62 2kot s ILE 95 Cb 0.03 -2.11 0.47 0.00 1.25 0.00 0.00 42.46 42.09 2kot s ILE 95 CO 0.39 0.58 1.18 -2.11 0.24 0.00 0.00 174.94 175.22 2kot n ARG 96 N 2.49 1.32 -3.03 0.37 1.85 -1.26 -4.27 116.66 114.13 2kot n ARG 96 Ca -0.17 -2.86 0.02 0.00 -1.00 0.00 0.00 57.85 53.84 2kot n ARG 96 Cb 0.52 -0.99 -0.00 0.00 -1.05 0.00 0.00 32.46 30.94 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 -2.49 0.53 0.00 2.89 -2.85 -1.26 -5.16 119.74 111.39 2kot s LYS 97 Ca 0.25 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 2kot s LYS 97 Cb 0.34 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 2kot s LYS 97 CO -0.07 -0.78 0.00 1.17 0.10 0.00 0.00 175.35 175.77