#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 3.62 -0.73 3.17 0.00 -1.26 -5.08 121.76 121.48 2kot s ALA 2 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 2kot s ALA 2 Cb 0.00 -1.40 0.19 0.00 0.00 0.00 0.00 23.12 21.91 2kot s ALA 2 CO 0.00 0.43 0.67 0.00 0.00 0.00 0.00 175.76 176.86 2kot s ALA 3 N -1.86 3.93 -0.15 0.00 0.00 -1.26 -5.06 121.76 117.36 2kot s ALA 3 Ca 0.32 -3.06 -0.07 0.00 0.00 0.00 0.00 51.96 49.15 2kot s ALA 3 Cb -0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2kot s ALA 3 CO 0.24 -2.19 0.09 -2.00 0.00 0.00 0.00 175.76 171.91 2kot s GLU 4 N 0.64 3.66 0.17 0.00 2.12 -1.26 -4.92 118.70 119.10 2kot s GLU 4 Ca 0.13 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 2kot s GLU 4 Cb -0.17 -3.18 -0.07 0.00 0.26 0.00 0.00 34.13 30.97 2kot s GLU 4 CO -0.05 0.53 1.00 -1.25 -0.54 0.00 0.00 175.26 174.96 2kot s PRO 5 N -0.35 4.70 0.20 4.30 0.04 -1.26 -4.91 135.00 137.72 2kot s PRO 5 Ca 0.10 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2kot s PRO 5 Cb -0.12 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2kot s PRO 5 CO 0.01 0.24 0.00 1.28 0.04 0.00 0.00 177.00 178.58 2kot n LEU 6 N 2.28 0.29 -4.73 -3.56 4.77 -1.26 -5.02 117.00 109.77 2kot n LEU 6 Ca 0.01 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 56.08 2kot n LEU 6 Cb 0.48 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 2kot n LEU 6 CO 0.52 -0.75 -0.18 -0.89 -1.33 0.00 0.00 177.39 174.76 2kot s THR 7 N -1.90 2.59 0.18 -5.08 2.01 -1.26 -4.98 115.64 107.20 2kot s THR 7 Ca 0.00 -1.71 -0.13 0.00 0.31 0.00 0.00 61.69 60.16 2kot s THR 7 Cb 0.00 -2.97 0.07 0.00 0.01 0.00 0.00 72.50 69.62 2kot s THR 7 CO 0.00 -0.08 1.82 -0.08 -0.69 0.00 0.00 174.62 175.59 2kot h GLU 8 N 1.48 0.63 -0.09 4.92 4.81 -2.00 0.42 114.58 124.75 2kot h GLU 8 Ca -0.43 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.61 2kot h GLU 8 Cb 1.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2kot h GLU 8 CO 0.67 0.42 -0.63 -0.07 -0.73 0.00 0.00 179.01 178.67 2kot h LEU 9 N 0.65 0.38 -0.41 1.64 3.38 -2.00 -2.17 115.31 116.77 2kot h LEU 9 Ca 0.21 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2kot h LEU 9 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kot h LEU 9 CO -0.09 0.91 -0.60 -0.33 0.09 0.00 0.00 178.44 178.42 2kot h GLU 10 N 0.24 0.62 0.00 1.13 5.08 -1.92 -3.15 114.58 116.58 2kot h GLU 10 Ca -0.01 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.84 2kot h GLU 10 Cb 1.16 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kot h GLU 10 CO 0.10 1.04 -0.42 1.49 -1.00 0.00 0.00 179.01 180.22 2kot h GLU 11 N 0.47 0.00 0.33 2.33 4.81 -0.87 -2.53 114.58 119.11 2kot h GLU 11 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2kot h GLU 11 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kot h GLU 11 CO 0.12 0.42 -0.16 0.77 -0.73 0.00 0.00 179.01 179.43 2kot h SER 12 N 0.00 -0.38 1.61 1.04 0.02 -1.35 -1.39 113.55 113.11 2kot h SER 12 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kot h SER 12 Cb 0.82 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2kot h SER 12 CO 0.06 -0.23 0.00 0.16 -1.14 0.00 0.00 176.83 175.67 2kot h ILE 13 N -0.49 0.00 -0.02 3.27 -0.00 -1.63 -3.22 117.51 115.42 2kot h ILE 13 Ca -0.05 -0.69 -0.21 0.00 -0.00 0.00 0.00 64.86 63.92 2kot h ILE 13 Cb 0.37 1.67 -0.00 0.00 -0.00 0.00 0.00 36.82 38.85 2kot h ILE 13 CO 0.07 0.00 -0.86 -0.08 -0.00 0.00 0.00 178.15 177.28 2kot h GLU 14 N 0.00 0.34 -0.43 0.16 4.22 -1.28 -3.27 114.58 114.32 2kot h GLU 14 Ca 0.00 -0.34 -0.03 0.00 0.08 0.00 0.00 59.36 59.07 2kot h GLU 14 Cb 0.81 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2kot h GLU 14 CO 0.00 1.02 0.13 1.15 -2.18 0.00 0.00 179.01 179.13 2kot h THR 15 N 0.20 1.18 0.00 0.32 2.02 -1.26 -1.86 112.91 113.51 2kot h THR 15 Ca -0.06 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2kot h THR 15 Cb 1.48 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2kot h THR 15 CO 0.14 0.23 -0.34 0.58 0.37 0.00 0.00 175.52 176.51 2kot h VAL 16 N 0.62 1.13 0.00 3.16 2.07 -1.68 -1.76 116.25 119.79 2kot h VAL 16 Ca 0.15 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2kot h VAL 16 Cb 0.19 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2kot h VAL 16 CO -0.01 0.33 -0.11 0.58 0.02 0.00 0.00 177.57 178.38 2kot h VAL 17 N 0.00 0.77 -0.42 2.57 2.07 -1.54 -3.30 116.25 116.39 2kot h VAL 17 Ca -0.00 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 2kot h VAL 17 Cb 0.64 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2kot h VAL 17 CO 0.04 0.26 0.08 0.71 0.02 0.00 0.00 177.57 178.68 2kot h THR 18 N -1.00 1.20 -0.36 2.57 1.35 -1.41 -0.01 112.91 115.26 2kot h THR 18 Ca -0.02 -0.74 -0.12 0.00 -0.55 0.00 0.00 66.41 64.98 2kot h THR 18 Cb 0.51 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 2kot h THR 18 CO -0.01 0.27 -0.24 0.74 -0.25 0.00 0.00 175.52 176.02 2kot h THR 19 N 0.62 1.29 -0.42 6.82 2.02 -1.50 -3.29 112.91 118.44 2kot h THR 19 Ca 0.14 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.93 2kot h THR 19 Cb 0.28 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2kot h THR 19 CO 0.00 0.46 0.00 0.33 0.37 0.00 0.00 175.52 176.68 2kot n PHE 20 N -4.23 0.55 0.13 3.16 7.35 -1.19 -4.47 117.46 118.76 2kot n PHE 20 Ca -0.02 -0.33 -0.00 0.00 -0.76 0.00 0.00 57.45 56.34 2kot n PHE 20 Cb 0.45 -0.01 0.28 0.00 0.35 0.00 0.00 39.48 40.55 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 3.77 0.16 -0.80 -5.13 3.57 -1.06 -1.95 116.94 115.49 2kot h PHE 21 Ca 0.00 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.51 2kot h PHE 21 Cb 0.89 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2kot h PHE 21 CO 0.28 0.52 0.53 1.15 -2.23 0.00 0.00 178.31 178.55 2kot h THR 22 N 0.12 1.07 0.00 4.41 2.02 -1.78 -0.35 112.91 118.40 2kot h THR 22 Ca 0.01 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 2kot h THR 22 Cb 0.76 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2kot h THR 22 CO 0.06 0.17 -1.73 0.49 0.37 0.00 0.00 175.52 174.87 2kot n PHE 23 N -4.47 0.48 0.22 3.16 3.01 -1.16 -4.30 117.46 114.39 2kot n PHE 23 Ca 0.11 0.16 0.12 0.00 1.01 0.00 0.00 57.45 58.85 2kot n PHE 23 Cb 0.18 -0.87 0.10 0.00 -0.01 0.00 0.00 39.48 38.88 2kot n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kot h ALA 24 N 1.59 0.74 0.15 4.37 0.00 -1.18 -3.37 119.26 121.56 2kot h ALA 24 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 2kot h ALA 24 Cb 1.46 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.27 2kot h ALA 24 CO 0.02 0.00 -1.28 0.07 0.00 0.00 0.00 179.25 178.06 2kot h ARG 25 N 0.00 0.39 0.00 0.00 0.11 -1.23 -3.34 114.38 110.31 2kot h ARG 25 Ca 0.00 -0.62 0.00 0.00 0.10 0.00 0.00 59.98 59.46 2kot h ARG 25 Cb 0.96 0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2kot h ARG 25 CO 0.00 1.28 0.00 0.37 0.10 0.00 0.00 179.97 181.72 2kot h GLN 26 N 0.12 0.00 -3.80 0.08 4.15 -1.75 -3.41 115.11 110.50 2kot h GLN 26 Ca -0.17 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.78 2kot h GLN 26 Cb 1.99 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 29.30 2kot h GLN 26 CO 0.22 0.00 -0.77 -1.21 -1.93 0.00 0.00 178.83 175.14 2kot s GLU 27 N -3.44 0.83 -0.19 1.69 0.41 -1.25 -4.98 118.70 111.78 2kot s GLU 27 Ca 0.04 -0.07 -0.06 0.00 -0.41 0.00 0.00 54.97 54.47 2kot s GLU 27 Cb 0.08 -1.31 0.01 0.00 -1.78 0.00 0.00 34.13 31.12 2kot s GLU 27 CO 0.58 -0.35 0.23 0.41 -0.49 0.00 0.00 175.26 175.64 2kot n GLY 28 N 5.08 -1.40 1.38 -1.39 0.00 -1.26 -4.24 105.19 103.35 2kot n GLY 28 Ca -0.09 0.45 0.17 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.29 -2.86 -0.05 1.61 1.74 -1.26 -4.19 116.66 111.37 2kot n ARG 29 Ca 0.05 2.08 -0.20 0.00 -0.77 0.00 0.00 57.85 59.01 2kot n ARG 29 Cb 0.18 -3.46 -0.13 0.00 -1.02 0.00 0.00 32.46 28.03 2kot n ARG 29 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2kot h LYS 30 N -1.35 0.10 -1.66 5.56 1.79 -1.81 -3.39 116.57 115.82 2kot h LYS 30 Ca -0.06 -0.17 -0.69 0.00 -2.18 0.00 0.00 60.65 57.56 2kot h LYS 30 Cb 1.34 0.06 -0.26 0.00 -1.58 0.00 0.00 32.23 31.80 2kot h LYS 30 CO 0.04 1.08 0.90 -0.25 -1.08 0.00 0.00 179.45 180.14 2kot n ASP 31 N -4.23 7.41 -3.71 0.86 8.00 -1.26 -4.23 116.55 119.39 2kot n ASP 31 Ca -0.26 -3.71 -0.12 0.00 0.71 0.00 0.00 54.79 51.41 2kot n ASP 31 Cb 0.74 -1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 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 -1.08 -0.51 0.46 -2.24 0.15 -1.26 -4.07 113.70 105.16 2kot s SER 32 Ca 0.56 0.94 -0.04 0.00 0.70 0.00 0.00 55.95 58.11 2kot s SER 32 Cb 0.44 0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 65.64 2kot s SER 32 CO -0.25 -0.17 0.75 -0.76 1.20 0.00 0.00 173.24 174.01 2kot s LEU 33 N 0.58 3.68 0.42 3.45 1.02 -0.33 -4.58 118.68 122.92 2kot s LEU 33 Ca -0.03 0.84 -0.07 0.00 0.02 0.00 0.00 54.13 54.89 2kot s LEU 33 Cb -0.05 -3.77 -0.05 0.00 0.02 0.00 0.00 46.19 42.35 2kot s LEU 33 CO -0.03 -0.54 0.73 -0.55 0.02 0.00 0.00 176.35 175.97 2kot s SER 34 N -4.10 6.39 0.37 2.29 0.15 -1.26 -0.89 113.70 116.64 2kot s SER 34 Ca 0.46 0.94 0.19 0.00 0.70 0.00 0.00 55.95 58.24 2kot s SER 34 Cb -0.10 -2.24 0.60 0.00 -1.71 0.00 0.00 66.02 62.56 2kot s SER 34 CO 0.43 -0.44 1.69 1.62 1.20 0.00 0.00 173.24 177.75 2kot h VAL 35 N 0.74 0.84 0.00 4.45 3.04 -1.95 -2.97 116.25 120.40 2kot h VAL 35 Ca -0.47 -1.60 -0.25 0.00 -1.01 0.00 0.00 66.70 63.36 2kot h VAL 35 Cb 1.20 2.00 -0.05 0.00 -2.01 0.00 0.00 31.29 32.43 2kot h VAL 35 CO 0.63 0.37 -2.17 -3.20 -1.01 0.00 0.00 177.57 172.20 2kot n ASN 36 N -3.46 0.12 0.07 3.17 5.15 -1.26 -4.44 115.26 114.62 2kot n ASN 36 Ca 0.00 0.05 -0.10 0.00 -0.60 0.00 0.00 54.58 53.94 2kot n ASN 36 Cb 0.54 1.13 -0.12 0.00 -0.53 0.00 0.00 39.78 40.80 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 0.08 -0.21 1.20 5.08 -1.98 -3.30 114.58 115.46 2kot h GLU 37 Ca -0.36 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2kot h GLU 37 Cb 1.86 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 2kot h GLU 37 CO 0.03 1.06 -0.21 0.27 -1.00 0.00 0.00 179.01 179.16 2kot h PHE 38 N 0.02 0.41 -0.41 4.33 -0.00 -1.75 -2.76 116.94 116.79 2kot h PHE 38 Ca -0.05 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.97 57.77 2kot h PHE 38 Cb 1.82 -0.11 -0.02 0.00 -0.00 0.00 0.00 35.95 37.65 2kot h PHE 38 CO 0.02 0.57 -0.08 -0.22 -0.00 0.00 0.00 178.31 178.60 2kot h LYS 39 N 0.34 0.71 -0.04 6.09 3.64 -1.77 -2.76 116.57 122.78 2kot h LYS 39 Ca 0.06 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 2kot h LYS 39 Cb 0.56 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2kot h LYS 39 CO 0.04 0.78 -0.47 0.93 -2.27 0.00 0.00 179.45 178.46 2kot h GLU 40 N 0.65 0.09 -0.15 1.90 5.08 -1.57 -2.67 114.58 117.92 2kot h GLU 40 Ca 0.12 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2kot h GLU 40 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kot h GLU 40 CO 0.03 0.54 -0.27 1.25 -1.00 0.00 0.00 179.01 179.56 2kot h LEU 41 N 0.08 0.28 0.00 1.33 5.85 -1.22 -1.63 115.31 119.99 2kot h LEU 41 Ca 0.00 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 2kot h LEU 41 Cb 0.86 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2kot h LEU 41 CO 0.07 0.55 -0.65 0.58 -0.34 0.00 0.00 178.44 178.65 2kot h VAL 42 N 0.25 0.54 -0.11 1.05 2.07 -1.40 -0.78 116.25 117.87 2kot h VAL 42 Ca 0.04 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2kot h VAL 42 Cb 0.62 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2kot h VAL 42 CO 0.04 0.31 0.00 0.41 0.02 0.00 0.00 177.57 178.35 2kot n THR 43 N -3.07 0.12 0.09 2.57 -1.04 -1.02 -2.77 114.28 109.16 2kot n THR 43 Ca -0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 2kot n THR 43 Cb 0.70 1.35 0.00 0.00 -1.82 0.00 0.00 70.33 70.56 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 1.32 0.00 0.00 -2.82 7.27 -0.63 -4.83 117.38 117.69 2kot n GLN 44 Ca 0.15 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.34 2kot n GLN 44 Cb 0.58 -0.23 0.15 0.00 2.41 0.00 0.00 30.24 33.14 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 -3.38 1.41 -2.93 3.69 7.27 -1.16 -4.58 117.38 117.69 2kot n GLN 45 Ca 0.00 -1.08 -0.13 0.00 0.07 0.00 0.00 57.00 55.86 2kot n GLN 45 Cb 0.00 -1.48 0.02 0.00 2.41 0.00 0.00 30.24 31.19 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 0.15 0.10 0.00 1.69 7.94 -0.31 -4.98 117.00 121.60 2kot n LEU 46 Ca 0.12 -4.30 -0.11 0.00 -1.11 0.00 0.00 56.01 50.61 2kot n LEU 46 Cb 0.46 0.62 -0.14 0.00 0.53 0.00 0.00 43.42 44.90 2kot n LEU 46 CO 0.24 2.04 -0.45 1.55 -1.11 0.00 0.00 177.39 179.65 2kot h PRO 47 N 2.90 0.07 0.00 1.96 0.13 -1.76 -3.39 132.00 131.91 2kot h PRO 47 Ca -0.02 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2kot h PRO 47 Cb 1.08 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kot h PRO 47 CO 0.37 0.73 0.00 0.45 -0.23 0.00 0.00 178.00 179.32 2kot h HIS 48 N 0.02 0.00 0.08 1.56 3.86 -1.94 -3.36 115.15 115.37 2kot h HIS 48 Ca -0.26 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2kot h HIS 48 Cb 1.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.46 2kot h HIS 48 CO 0.02 0.00 -0.04 1.25 0.86 0.00 0.00 177.93 180.02 2kot h LEU 49 N 0.00 -0.09 -8.68 2.43 5.85 -1.91 -3.43 115.31 109.48 2kot h LEU 49 Ca 0.00 -0.30 -0.67 0.00 0.84 0.00 0.00 57.88 57.76 2kot h LEU 49 Cb 0.80 0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.68 2kot h LEU 49 CO 0.00 0.53 -0.23 -0.76 -0.34 0.00 0.00 178.44 177.64 2kot s LEU 50 N -8.63 4.55 0.45 2.25 1.43 -1.26 -4.69 118.68 112.78 2kot s LEU 50 Ca -0.08 -0.33 0.21 0.00 -1.03 0.00 0.00 54.13 52.90 2kot s LEU 50 Cb -0.01 -2.39 1.19 0.00 0.03 0.00 0.00 46.19 45.02 2kot s LEU 50 CO 0.28 -0.43 1.85 0.07 0.23 0.00 0.00 176.35 178.35 2kot h LYS 51 N 8.54 0.29 -4.81 1.70 -0.00 -1.84 -3.33 116.57 117.12 2kot h LYS 51 Ca -0.28 -0.02 -0.70 0.00 -0.00 0.00 0.00 60.65 59.65 2kot h LYS 51 Cb 1.13 -0.07 -0.19 0.00 -0.00 0.00 0.00 32.23 33.11 2kot h LYS 51 CO 0.73 0.19 0.51 -0.51 -0.00 0.00 0.00 179.45 180.37 2kot s ASP 52 N -5.59 6.48 0.03 7.07 1.01 -1.26 -4.86 116.67 119.56 2kot s ASP 52 Ca -0.07 -1.86 0.04 0.00 0.71 0.00 0.00 52.55 51.37 2kot s ASP 52 Cb 0.23 -2.35 -0.24 0.00 1.01 0.00 0.00 42.92 41.57 2kot s ASP 52 CO 0.78 -1.05 0.96 -0.37 0.21 0.00 0.00 175.17 175.70 2kot h VAL 53 N 5.70 1.28 0.00 -1.27 -1.51 -1.89 -3.38 116.25 115.18 2kot h VAL 53 Ca -0.02 -2.99 -0.08 0.00 -1.23 0.00 0.00 66.70 62.37 2kot h VAL 53 Cb 1.05 2.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.90 2kot h VAL 53 CO 1.06 0.79 -2.01 0.61 -1.23 0.00 0.00 177.57 176.78 2kot n GLY 54 N 1.53 -0.93 3.14 5.19 0.00 -1.26 -4.61 105.19 108.25 2kot n GLY 54 Ca -0.11 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.32 5.77 -1.35 1.61 2.88 -1.26 -4.75 113.62 114.20 2kot n SER 55 Ca -0.10 -3.19 0.09 0.00 -1.33 0.00 0.00 58.87 54.34 2kot n SER 55 Cb 0.67 -1.38 0.32 0.00 -0.75 0.00 0.00 64.21 63.07 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 2.74 4.28 -0.02 2.46 7.99 -1.26 -4.54 117.00 128.65 2kot n LEU 56 Ca 0.29 -2.34 -0.09 0.00 -0.01 0.00 0.00 56.01 53.87 2kot n LEU 56 Cb 0.37 -0.51 0.07 0.00 -0.11 0.00 0.00 43.42 43.23 2kot n LEU 56 CO 0.65 0.83 0.54 -2.24 -1.51 0.00 0.00 177.39 175.67 2kot h ASP 57 N 3.67 0.67 0.59 -1.43 3.04 -1.98 0.23 116.42 121.20 2kot h ASP 57 Ca 0.00 -0.32 -0.09 0.00 -3.24 0.00 0.00 57.03 53.38 2kot h ASP 57 Cb 1.26 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 39.35 2kot h ASP 57 CO 0.15 1.03 -0.41 -0.08 -2.04 0.00 0.00 179.24 177.89 2kot h GLU 58 N 0.50 0.00 0.06 4.15 4.81 -2.01 -2.99 114.58 119.11 2kot h GLU 58 Ca 0.03 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.98 2kot h GLU 58 Cb 0.99 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2kot h GLU 58 CO 0.09 0.41 -1.50 0.87 -0.73 0.00 0.00 179.01 178.15 2kot h LYS 59 N 0.00 0.14 -0.63 1.92 6.56 -1.84 -3.36 116.57 119.36 2kot h LYS 59 Ca -0.00 -0.23 0.11 0.00 -1.06 0.00 0.00 60.65 59.47 2kot h LYS 59 Cb 0.81 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.52 2kot h LYS 59 CO 0.05 1.11 0.42 1.98 -2.06 0.00 0.00 179.45 180.96 2kot h MET 60 N -0.51 0.37 -0.39 3.15 4.05 -1.02 -1.40 114.93 119.17 2kot h MET 60 Ca -0.36 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 58.95 2kot h MET 60 Cb 1.63 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.33 2kot h MET 60 CO -0.05 0.24 -0.10 0.87 0.23 0.00 0.00 176.91 178.10 2kot h LYS 61 N 0.38 0.76 -0.10 0.39 1.79 -1.70 -0.81 116.57 117.27 2kot h LYS 61 Ca 0.30 -0.29 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2kot h LYS 61 Cb 0.64 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2kot h LYS 61 CO -0.08 0.90 -0.47 0.77 -1.08 0.00 0.00 179.45 179.49 2kot h SER 62 N 0.57 0.28 0.11 0.86 0.02 -1.50 -3.29 113.55 110.59 2kot h SER 62 Ca 0.10 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2kot h SER 62 Cb 0.62 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kot h SER 62 CO 0.04 0.71 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.31 2kot h LEU 63 N 0.21 -0.13 -5.63 5.07 3.38 -1.20 -3.35 115.31 113.66 2kot h LEU 63 Ca 0.01 -0.44 -0.72 0.00 0.09 0.00 0.00 57.88 56.83 2kot h LEU 63 Cb 0.91 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2kot h LEU 63 CO 0.07 0.44 2.93 -0.67 0.09 0.00 0.00 178.44 181.31 2kot n ASP 64 N -4.89 7.11 0.01 -0.43 2.03 -0.32 -4.52 116.55 115.54 2kot n ASP 64 Ca -0.08 -2.90 -0.10 0.00 0.52 0.00 0.00 54.79 52.22 2kot n ASP 64 Cb 0.28 -1.49 -0.14 0.00 -0.72 0.00 0.00 41.12 39.05 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 3.15 1.05 -0.01 5.18 3.04 -1.70 -3.34 116.25 123.62 2kot h VAL 65 Ca 0.68 -2.84 -0.11 0.00 -1.01 0.00 0.00 66.70 63.42 2kot h VAL 65 Cb 0.41 2.56 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 2kot h VAL 65 CO 1.67 0.66 -0.53 -1.13 -1.01 0.00 0.00 177.57 177.23 2kot h ASN 66 N 0.01 0.03 -4.81 3.17 -0.73 -1.93 -3.49 115.58 107.83 2kot h ASN 66 Ca -0.23 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2kot h ASN 66 Cb 1.97 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.55 2kot h ASN 66 CO 0.10 0.56 -0.34 0.00 -0.37 0.00 0.00 177.43 177.37 2kot n GLN 67 N -3.91 -1.78 -0.38 6.67 6.02 -1.25 -5.03 117.38 117.72 2kot n GLN 67 Ca -0.01 1.72 0.00 0.00 -0.01 0.00 0.00 57.00 58.70 2kot n GLN 67 Cb 0.54 -4.82 0.00 0.00 1.02 0.00 0.00 30.24 26.98 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 -0.51 0.00 -2.08 1.08 2.03 -1.26 -5.02 116.55 110.79 2kot n ASP 68 Ca 0.08 -1.05 -0.17 0.00 0.52 0.00 0.00 54.79 54.18 2kot n ASP 68 Cb 0.38 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 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 -3.63 1.67 7.64 -1.26 -4.96 113.62 108.27 2kot n SER 69 Ca 0.00 0.20 -0.29 0.00 1.01 0.00 0.00 58.87 59.79 2kot n SER 69 Cb 0.51 -4.14 -0.15 0.00 -1.01 0.00 0.00 64.21 59.42 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 -4.45 0.50 -1.27 1.43 2.02 -1.26 -4.30 118.70 111.36 2kot s GLU 70 Ca 0.00 -0.90 -0.17 0.00 0.02 0.00 0.00 54.97 53.91 2kot s GLU 70 Cb 0.00 -1.59 0.09 0.00 0.10 0.00 0.00 34.13 32.73 2kot s GLU 70 CO 0.00 -1.03 1.67 -0.51 0.02 0.00 0.00 175.26 175.41 2kot s LEU 71 N 1.72 4.07 0.76 1.80 1.02 -0.07 -4.90 118.68 123.08 2kot s LEU 71 Ca 0.10 -2.52 -0.11 0.00 0.02 0.00 0.00 54.13 51.62 2kot s LEU 71 Cb -0.18 -2.54 0.05 0.00 0.02 0.00 0.00 46.19 43.54 2kot s LEU 71 CO -0.27 -1.10 1.10 -0.75 0.02 0.00 0.00 176.35 175.36 2kot s LYS 72 N 3.73 2.24 0.62 1.70 2.20 -1.26 -1.19 119.74 127.78 2kot s LYS 72 Ca 0.51 1.27 0.32 0.00 -0.36 0.00 0.00 55.97 57.72 2kot s LYS 72 Cb 0.03 -1.89 1.84 0.00 -1.51 0.00 0.00 37.83 36.30 2kot s LYS 72 CO 0.06 -1.67 2.16 0.35 -0.36 0.00 0.00 175.35 175.88 2kot h PHE 73 N -0.95 0.00 -0.11 4.03 3.04 -1.95 0.88 116.94 121.88 2kot h PHE 73 Ca -0.44 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.40 2kot h PHE 73 Cb 1.24 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 2kot h PHE 73 CO 0.56 0.00 -0.41 -0.97 -2.02 0.00 0.00 178.31 175.48 2kot h ASN 74 N 0.00 0.26 0.06 0.41 -0.73 -1.93 -1.88 115.58 111.76 2kot h ASN 74 Ca 0.04 -0.11 -0.38 0.00 1.87 0.00 0.00 56.30 57.73 2kot h ASN 74 Cb 0.34 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.81 2kot h ASN 74 CO -0.00 0.64 -2.26 -0.62 -0.37 0.00 0.00 177.43 174.82 2kot n GLU 75 N -4.03 0.70 0.02 6.67 4.71 0.24 -4.32 120.64 124.63 2kot n GLU 75 Ca -0.01 0.20 0.08 0.00 -0.01 0.00 0.00 57.16 57.41 2kot n GLU 75 Cb 0.48 -1.60 0.33 0.00 -1.01 0.00 0.00 31.44 29.63 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 -3.37 0.14 0.32 -0.32 9.36 0.28 -3.30 117.16 120.27 2kot n TYR 76 Ca -0.40 0.06 0.21 0.00 3.32 0.00 0.00 57.90 61.09 2kot n TYR 76 Cb 1.01 -0.59 1.11 0.00 -0.63 0.00 0.00 39.34 40.24 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 0.00 2.98 7.01 -1.53 -2.33 115.95 122.09 2kot h TRP 77 Ca 0.00 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 2kot h TRP 77 Cb 0.25 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 2kot h TRP 77 CO 0.00 0.00 -0.51 0.00 -2.79 0.00 0.00 178.44 175.14 2kot h ARG 78 N 0.00 0.00 0.06 2.65 2.47 -1.87 -2.26 114.38 115.44 2kot h ARG 78 Ca 0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 2kot h ARG 78 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2kot h ARG 78 CO 0.00 0.51 -1.43 1.25 0.56 0.00 0.00 179.97 180.86 2kot h LEU 79 N 0.00 0.20 -1.04 3.04 5.85 -1.70 -3.24 115.31 118.43 2kot h LEU 79 Ca -0.01 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 2kot h LEU 79 Cb 0.93 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2kot h LEU 79 CO 0.07 1.23 -0.38 0.40 -0.34 0.00 0.00 178.44 179.42 2kot h ILE 80 N 0.03 1.29 -0.63 4.05 1.08 -1.51 0.18 117.51 122.01 2kot h ILE 80 Ca -0.19 -1.42 -0.07 0.00 -0.39 0.00 0.00 64.86 62.79 2kot h ILE 80 Cb 1.95 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 37.31 2kot h ILE 80 CO 0.13 0.42 0.12 1.23 -0.69 0.00 0.00 178.15 179.37 2kot h GLY 81 N 1.17 1.08 1.97 5.37 0.00 -1.49 -2.66 103.07 108.51 2kot h GLY 81 Ca 0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.54 2kot h GLY 81 CO 0.06 0.63 -0.65 0.83 0.00 0.00 0.00 176.54 177.41 2kot h GLU 82 N 0.95 0.00 -0.48 4.80 4.39 -1.52 -2.65 114.58 120.07 2kot h GLU 82 Ca 0.20 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2kot h GLU 82 Cb 0.38 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2kot h GLU 82 CO 0.01 0.62 0.30 1.25 -1.16 0.00 0.00 179.01 180.02 2kot h LEU 83 N 0.00 0.50 0.00 1.33 5.85 -0.30 0.13 115.31 122.82 2kot h LEU 83 Ca -0.01 -0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.46 2kot h LEU 83 Cb 1.49 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2kot h LEU 83 CO 0.08 0.36 -1.56 0.00 -0.34 0.00 0.00 178.44 176.98 2kot h ALA 84 N 1.19 0.72 -0.01 1.25 0.00 -1.61 -3.37 119.26 117.44 2kot h ALA 84 Ca 0.18 -1.22 -0.17 0.00 0.00 0.00 0.00 54.91 53.70 2kot h ALA 84 Cb -0.03 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kot h ALA 84 CO -0.06 1.34 -0.79 -0.22 0.00 0.00 0.00 179.25 179.51 2kot h LYS 85 N 0.00 0.10 -1.03 0.00 3.64 -1.42 -3.29 116.57 114.57 2kot h LYS 85 Ca -0.23 -0.10 -0.48 0.00 -1.27 0.00 0.00 60.65 58.57 2kot h LYS 85 Cb 1.85 0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 33.43 2kot h LYS 85 CO 0.07 0.84 0.61 0.39 -2.27 0.00 0.00 179.45 179.09 2kot n GLU 86 N -3.67 2.16 -0.11 1.90 -0.58 0.43 -3.65 120.64 117.12 2kot n GLU 86 Ca -0.02 -2.65 -0.16 0.00 -0.42 0.00 0.00 57.16 53.91 2kot n GLU 86 Cb 0.75 -2.04 -0.10 0.00 -0.57 0.00 0.00 31.44 29.48 2kot n GLU 86 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2kot n ILE 87 N -0.85 1.29 -0.07 -3.67 0.00 -1.24 -4.20 119.36 110.63 2kot n ILE 87 Ca 0.52 -0.49 -0.12 0.00 0.00 0.00 0.00 62.75 62.66 2kot n ILE 87 Cb 1.32 -1.31 -0.14 0.00 0.00 0.00 0.00 39.64 39.50 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 0.67 -3.09 9.51 0.00 -1.26 -4.66 116.66 114.64 2kot n ARG 88 Ca -0.40 0.15 -0.23 0.00 -0.00 0.00 0.00 57.85 57.37 2kot n ARG 88 Cb 0.92 -1.63 -0.04 0.00 -0.00 0.00 0.00 32.46 31.71 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 -3.02 2.05 0.08 2.89 2.85 -1.24 -4.86 118.16 116.90 2kot n LYS 89 Ca -0.30 -4.10 -0.15 0.00 -1.05 0.00 0.00 58.31 52.71 2kot n LYS 89 Cb 1.08 -1.94 -0.07 0.00 -0.65 0.00 0.00 35.03 33.44 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 3.12 0.42 -1.14 -1.58 -0.00 -1.82 -3.37 116.57 112.20 2kot h LYS 90 Ca 0.12 -0.50 -0.38 0.00 -0.00 0.00 0.00 60.65 59.88 2kot h LYS 90 Cb 0.74 0.16 -0.40 0.00 -0.00 0.00 0.00 32.23 32.73 2kot h LYS 90 CO 0.66 1.17 -1.18 1.63 -0.00 0.00 0.00 179.45 181.72 2kot n LYS 91 N -3.71 1.19 -0.26 0.07 5.02 -1.26 -4.96 118.16 114.25 2kot n LYS 91 Ca -0.08 -3.31 0.23 0.00 -2.02 0.00 0.00 58.31 53.13 2kot n LYS 91 Cb 0.89 -1.33 0.57 0.00 -0.02 0.00 0.00 35.03 35.14 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 2.99 0.32 -0.27 4.39 2.03 -1.72 0.47 116.42 124.63 2kot h ASP 92 Ca -0.06 0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.22 2kot h ASP 92 Cb 1.14 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.61 2kot h ASP 92 CO 0.51 0.10 -0.01 0.25 -1.03 0.00 0.00 179.24 179.07 2kot h LEU 93 N 0.30 0.56 0.00 0.15 5.85 -1.95 -3.36 115.31 116.87 2kot h LEU 93 Ca 0.50 -0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.90 2kot h LEU 93 Cb 1.43 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2kot h LEU 93 CO -0.16 0.64 -1.58 1.17 -0.34 0.00 0.00 178.44 178.16 2kot n LYS 94 N -4.26 0.55 -5.19 1.25 3.00 -0.29 -5.00 118.16 108.23 2kot n LYS 94 Ca 0.02 0.30 -0.32 0.00 -0.00 0.00 0.00 58.31 58.31 2kot n LYS 94 Cb 0.26 -1.52 -0.17 0.00 0.00 0.00 0.00 35.03 33.61 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 -2.62 2.15 -0.06 3.15 -4.36 0.15 -5.03 121.20 114.58 2kot s ILE 95 Ca -0.31 -1.00 0.23 0.00 -0.26 0.00 0.00 60.65 59.31 2kot s ILE 95 Cb 0.08 -1.82 0.44 0.00 1.25 0.00 0.00 42.46 42.41 2kot s ILE 95 CO 0.45 0.56 1.17 -2.11 0.24 0.00 0.00 174.94 175.25 2kot n ARG 96 N 3.40 0.45 -3.19 0.37 1.85 -1.26 -3.25 116.66 115.03 2kot n ARG 96 Ca -0.19 -2.37 0.02 0.00 -1.00 0.00 0.00 57.85 54.31 2kot n ARG 96 Cb 0.53 -0.42 -0.01 0.00 -1.05 0.00 0.00 32.46 31.51 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 -0.89 0.71 0.00 2.89 -2.85 -1.26 -5.14 119.74 113.21 2kot s LYS 97 Ca 0.34 0.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 2kot s LYS 97 Cb 0.38 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2kot s LYS 97 CO -0.14 -1.13 0.00 1.17 0.10 0.00 0.00 175.35 175.35