#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 -0.65 -0.37 3.17 0.00 -1.26 -5.09 121.76 117.56 2kot s ALA 2 Ca 0.00 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 2kot s ALA 2 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2kot s ALA 2 CO 0.00 -0.20 0.40 0.00 0.00 0.00 0.00 175.76 175.96 2kot s ALA 3 N 1.14 3.47 -0.07 0.00 0.00 -1.26 -5.07 121.76 119.96 2kot s ALA 3 Ca -0.08 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.61 2kot s ALA 3 Cb -0.09 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 2kot s ALA 3 CO -0.08 -1.29 -0.20 -2.00 0.00 0.00 0.00 175.76 172.19 2kot s GLU 4 N 2.10 2.69 0.09 0.00 2.12 -1.26 -4.88 118.70 119.56 2kot s GLU 4 Ca 0.12 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 2kot s GLU 4 Cb -0.17 -2.31 -0.06 0.00 0.26 0.00 0.00 34.13 31.85 2kot s GLU 4 CO 0.13 0.42 1.18 -1.25 -0.54 0.00 0.00 175.26 175.19 2kot s PRO 5 N -0.23 4.47 0.11 4.30 0.04 -1.26 -4.94 135.00 137.49 2kot s PRO 5 Ca -0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2kot s PRO 5 Cb -0.13 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2kot s PRO 5 CO 0.03 -0.17 0.00 1.28 0.04 0.00 0.00 177.00 178.18 2kot n LEU 6 N 3.48 0.70 -4.57 -3.56 4.77 -1.26 -5.03 117.00 111.53 2kot n LEU 6 Ca 0.07 0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 2kot n LEU 6 Cb 0.46 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2kot n LEU 6 CO 0.55 -0.72 -0.40 -0.89 -1.33 0.00 0.00 177.39 174.61 2kot s THR 7 N -1.82 3.03 0.31 -5.08 2.01 -1.26 -5.00 115.64 107.84 2kot s THR 7 Ca 0.00 -2.09 0.02 0.00 0.31 0.00 0.00 61.69 59.94 2kot s THR 7 Cb 0.00 -2.60 0.29 0.00 0.01 0.00 0.00 72.50 70.20 2kot s THR 7 CO 0.00 -0.36 1.91 -0.08 -0.69 0.00 0.00 174.62 175.40 2kot h GLU 8 N 2.15 0.92 -0.20 4.92 4.81 -1.99 0.34 114.58 125.53 2kot h GLU 8 Ca -0.43 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.57 2kot h GLU 8 Cb 1.25 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2kot h GLU 8 CO 0.59 0.61 -0.58 -0.07 -0.73 0.00 0.00 179.01 178.84 2kot h LEU 9 N 0.95 0.71 -0.73 1.64 3.38 -2.01 -2.52 115.31 116.74 2kot h LEU 9 Ca 0.39 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2kot h LEU 9 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kot h LEU 9 CO -0.16 1.14 -0.63 -0.33 0.09 0.00 0.00 178.44 178.55 2kot h GLU 10 N 0.48 0.00 -0.13 1.13 5.08 -1.81 -3.14 114.58 116.20 2kot h GLU 10 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2kot h GLU 10 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kot h GLU 10 CO 0.11 0.63 -0.36 1.49 -1.00 0.00 0.00 179.01 179.89 2kot h GLU 11 N 0.00 0.27 0.34 2.33 4.81 -0.22 -2.34 114.58 119.76 2kot h GLU 11 Ca -0.01 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2kot h GLU 11 Cb 1.12 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2kot h GLU 11 CO 0.08 0.59 -0.29 0.77 -0.73 0.00 0.00 179.01 179.43 2kot h SER 12 N 0.23 -0.77 1.08 1.04 0.02 -1.40 -0.99 113.55 112.77 2kot h SER 12 Ca 0.03 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2kot h SER 12 Cb 0.74 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2kot h SER 12 CO 0.06 -0.43 -0.47 0.16 -1.14 0.00 0.00 176.83 175.01 2kot h ILE 13 N -0.64 0.94 -0.48 3.27 -0.00 -1.69 -3.27 117.51 115.63 2kot h ILE 13 Ca -0.02 -1.91 -0.08 0.00 -0.00 0.00 0.00 64.86 62.85 2kot h ILE 13 Cb 0.57 2.17 -0.02 0.00 -0.00 0.00 0.00 36.82 39.55 2kot h ILE 13 CO -0.03 0.46 -0.02 -0.08 -0.00 0.00 0.00 178.15 178.48 2kot h GLU 14 N 0.00 0.86 0.00 0.16 4.22 -1.24 -3.09 114.58 115.49 2kot h GLU 14 Ca -0.00 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.13 2kot h GLU 14 Cb 1.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kot h GLU 14 CO 0.06 0.91 -0.11 1.15 -2.18 0.00 0.00 179.01 178.84 2kot h THR 15 N 0.71 0.79 -0.12 0.32 2.02 -1.23 -2.05 112.91 113.35 2kot h THR 15 Ca 0.13 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 2kot h THR 15 Cb 0.53 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2kot h THR 15 CO 0.03 0.11 -0.42 0.58 0.37 0.00 0.00 175.52 176.19 2kot h VAL 16 N 0.00 1.31 0.04 3.16 2.07 -1.64 -2.39 116.25 118.80 2kot h VAL 16 Ca -0.00 -1.54 -0.17 0.00 0.82 0.00 0.00 66.70 65.81 2kot h VAL 16 Cb 0.24 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2kot h VAL 16 CO 0.01 0.46 -0.87 0.58 0.02 0.00 0.00 177.57 177.78 2kot h VAL 17 N 0.22 1.27 -0.72 2.57 2.07 -1.55 -3.32 116.25 116.80 2kot h VAL 17 Ca 0.02 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 2kot h VAL 17 Cb 0.83 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 2kot h VAL 17 CO 0.07 0.54 0.34 0.71 0.02 0.00 0.00 177.57 179.25 2kot h THR 18 N -0.77 1.24 -0.34 2.57 1.35 -1.46 -2.45 112.91 113.05 2kot h THR 18 Ca -0.21 -0.67 -0.09 0.00 -0.55 0.00 0.00 66.41 64.89 2kot h THR 18 Cb 1.36 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 2kot h THR 18 CO -0.04 0.28 -0.14 0.74 -0.25 0.00 0.00 175.52 176.10 2kot h THR 19 N 1.00 1.29 -1.49 6.82 2.02 -1.63 -3.28 112.91 117.64 2kot h THR 19 Ca 0.25 -1.25 -0.67 0.00 0.77 0.00 0.00 66.41 65.51 2kot h THR 19 Cb 0.12 1.37 -0.33 0.00 -1.74 0.00 0.00 68.15 67.56 2kot h THR 19 CO -0.03 0.41 0.31 0.33 0.37 0.00 0.00 175.52 176.90 2kot n PHE 20 N -4.35 3.12 -0.10 3.16 7.35 -1.20 -4.66 117.46 120.78 2kot n PHE 20 Ca -0.02 -2.66 -0.24 0.00 -0.76 0.00 0.00 57.45 53.77 2kot n PHE 20 Cb 0.38 -0.85 -0.11 0.00 0.35 0.00 0.00 39.48 39.25 2kot n PHE 20 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2kot n PHE 21 N -0.63 0.78 -0.07 -5.13 -0.00 -0.93 -3.51 117.46 107.97 2kot n PHE 21 Ca 0.51 0.30 0.13 0.00 -0.00 0.00 0.00 57.45 58.39 2kot n PHE 21 Cb 0.53 -1.08 0.53 0.00 -0.00 0.00 0.00 39.48 39.46 2kot n PHE 21 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2kot h THR 22 N -0.83 0.87 0.15 -2.13 2.02 -1.84 -1.55 112.91 109.60 2kot h THR 22 Ca -0.45 -0.12 -0.29 0.00 0.77 0.00 0.00 66.41 66.32 2kot h THR 22 Cb 1.49 0.49 0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2kot h THR 22 CO -0.22 0.06 -1.27 -0.26 0.37 0.00 0.00 175.52 174.20 2kot h PHE 23 N 0.35 0.70 -0.02 3.16 -1.00 -1.90 -3.33 116.94 114.89 2kot h PHE 23 Ca 0.28 -0.49 -0.09 0.00 2.81 0.00 0.00 57.97 60.48 2kot h PHE 23 Cb 0.62 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 2kot h PHE 23 CO -0.00 1.36 -0.40 0.00 -1.61 0.00 0.00 178.31 177.67 2kot h ALA 24 N 0.45 1.30 -0.03 2.45 0.00 -1.36 -2.93 119.26 119.16 2kot h ALA 24 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kot h ALA 24 Cb 1.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2kot h ALA 24 CO 0.22 0.51 0.00 2.89 0.00 0.00 0.00 179.25 182.88 2kot n ARG 25 N -4.06 1.26 -0.02 0.00 1.85 -0.68 -4.07 116.66 110.94 2kot n ARG 25 Ca -0.02 -0.38 -0.16 0.00 -1.00 0.00 0.00 57.85 56.29 2kot n ARG 25 Cb 0.44 -1.44 -0.09 0.00 -1.05 0.00 0.00 32.46 30.32 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 0.87 0.51 -3.57 2.89 4.15 -1.63 -3.45 115.11 114.89 2kot h GLN 26 Ca 0.00 -0.44 -0.38 0.00 0.77 0.00 0.00 58.65 58.60 2kot h GLN 26 Cb 0.19 0.10 -0.37 0.00 0.21 0.00 0.00 27.48 27.61 2kot h GLN 26 CO 0.00 1.08 -0.75 -1.21 -1.93 0.00 0.00 178.83 176.02 2kot s GLU 27 N -3.57 0.25 -0.03 1.69 0.41 -1.26 -5.04 118.70 111.15 2kot s GLU 27 Ca -0.13 0.19 -0.02 0.00 -0.41 0.00 0.00 54.97 54.60 2kot s GLU 27 Cb 0.05 -0.63 0.01 0.00 -1.78 0.00 0.00 34.13 31.78 2kot s GLU 27 CO 0.83 -0.25 0.05 0.41 -0.49 0.00 0.00 175.26 175.80 2kot n GLY 28 N 4.84 -4.23 3.40 -1.39 0.00 -1.26 -4.55 105.19 102.00 2kot n GLY 28 Ca -0.13 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.87 -0.88 -0.13 1.61 1.74 -1.26 -4.40 116.66 114.21 2kot n ARG 29 Ca -0.08 0.58 -0.21 0.00 -0.77 0.00 0.00 57.85 57.37 2kot n ARG 29 Cb 0.12 -1.08 -0.12 0.00 -1.02 0.00 0.00 32.46 30.37 2kot n ARG 29 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kot n LYS 30 N -1.86 0.64 -1.86 5.56 4.76 -1.26 -4.33 118.16 119.80 2kot n LYS 30 Ca 0.00 0.18 -0.36 0.00 -2.87 0.00 0.00 58.31 55.26 2kot n LYS 30 Cb 0.20 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 31.92 2kot n LYS 30 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kot n ASP 31 N -3.51 7.07 -3.68 4.39 8.00 -1.26 -3.75 116.55 123.81 2kot n ASP 31 Ca -0.48 -3.81 -0.12 0.00 0.71 0.00 0.00 54.79 51.09 2kot n ASP 31 Cb 0.97 -0.93 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2kot n ASP 31 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kot s SER 32 N -1.71 0.04 0.88 -2.24 1.04 -1.26 -3.36 113.70 107.08 2kot s SER 32 Ca 0.54 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.51 2kot s SER 32 Cb 0.45 0.73 0.12 0.00 0.10 0.00 0.00 66.02 67.41 2kot s SER 32 CO -0.27 -0.22 1.16 -0.76 0.98 0.00 0.00 173.24 174.13 2kot s LEU 33 N 2.07 2.20 0.22 2.42 1.02 -0.73 -4.60 118.68 121.28 2kot s LEU 33 Ca -0.03 0.89 0.06 0.00 0.02 0.00 0.00 54.13 55.07 2kot s LEU 33 Cb -0.11 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.80 2kot s LEU 33 CO -0.10 -2.32 0.20 -0.55 0.02 0.00 0.00 176.35 173.60 2kot s SER 34 N -4.24 5.61 0.47 2.29 0.15 -1.26 -1.12 113.70 115.60 2kot s SER 34 Ca 0.63 -0.18 0.15 0.00 0.70 0.00 0.00 55.95 57.25 2kot s SER 34 Cb -0.13 -1.47 1.08 0.00 -1.71 0.00 0.00 66.02 63.79 2kot s SER 34 CO 0.52 -0.01 2.04 1.62 1.20 0.00 0.00 173.24 178.61 2kot h VAL 35 N 1.63 1.09 0.04 4.45 3.04 -1.93 -2.08 116.25 122.49 2kot h VAL 35 Ca -0.49 -0.43 -0.33 0.00 -1.01 0.00 0.00 66.70 64.45 2kot h VAL 35 Cb 1.23 1.23 -0.04 0.00 -2.01 0.00 0.00 31.29 31.69 2kot h VAL 35 CO 0.62 0.12 -1.91 -3.20 -1.01 0.00 0.00 177.57 172.19 2kot n ASN 36 N -4.39 1.25 0.03 3.17 5.15 -1.26 -3.89 115.26 115.32 2kot n ASN 36 Ca -0.03 0.28 -0.08 0.00 -0.60 0.00 0.00 54.58 54.15 2kot n ASN 36 Cb 0.20 -0.24 0.07 0.00 -0.53 0.00 0.00 39.78 39.28 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 -0.20 1.20 5.08 -1.93 -3.05 114.58 116.14 2kot h GLU 37 Ca -0.37 -0.30 -0.18 0.00 -1.00 0.00 0.00 59.36 57.51 2kot h GLU 37 Cb 2.04 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 2kot h GLU 37 CO 0.07 0.91 -0.61 0.27 -1.00 0.00 0.00 179.01 178.65 2kot h PHE 38 N 0.33 0.87 -0.45 4.33 -0.00 -1.58 -3.19 116.94 117.26 2kot h PHE 38 Ca -0.00 -0.33 0.03 0.00 -0.00 0.00 0.00 57.97 57.67 2kot h PHE 38 Cb 1.13 -0.16 -0.02 0.00 -0.00 0.00 0.00 35.95 36.90 2kot h PHE 38 CO 0.04 1.12 0.30 -0.22 -0.00 0.00 0.00 178.31 179.55 2kot h LYS 39 N 0.51 0.49 -0.18 6.09 3.64 -1.66 -2.28 116.57 123.17 2kot h LYS 39 Ca -0.00 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 2kot h LYS 39 Cb 1.19 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2kot h LYS 39 CO 0.12 0.32 -0.61 0.93 -2.27 0.00 0.00 179.45 177.94 2kot h GLU 40 N 0.50 0.62 -0.16 1.90 5.08 -1.52 -3.21 114.58 117.79 2kot h GLU 40 Ca 0.18 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2kot h GLU 40 Cb 0.11 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kot h GLU 40 CO -0.05 1.04 -0.17 1.25 -1.00 0.00 0.00 179.01 180.09 2kot h LEU 41 N 0.46 0.25 -0.71 1.33 5.85 -1.41 -2.63 115.31 118.46 2kot h LEU 41 Ca -0.01 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 2kot h LEU 41 Cb 1.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2kot h LEU 41 CO 0.12 0.44 -0.50 0.58 -0.34 0.00 0.00 178.44 178.74 2kot h VAL 42 N 0.24 1.33 -0.83 1.05 2.07 -1.52 -1.39 116.25 117.21 2kot h VAL 42 Ca 0.05 -1.74 -0.50 0.00 0.82 0.00 0.00 66.70 65.33 2kot h VAL 42 Cb 0.45 1.78 -0.27 0.00 -1.52 0.00 0.00 31.29 31.72 2kot h VAL 42 CO 0.03 0.53 0.42 0.41 0.02 0.00 0.00 177.57 178.97 2kot n THR 43 N -3.96 3.14 0.12 2.57 -1.04 -1.04 -2.00 114.28 112.06 2kot n THR 43 Ca -0.02 -2.65 0.00 0.00 -2.04 0.00 0.00 64.05 59.34 2kot n THR 43 Cb 0.56 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -1.03 0.00 0.00 -2.82 7.27 -1.02 -4.98 117.38 114.80 2kot n GLN 44 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.61 2kot n GLN 44 Cb 1.15 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.80 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 -3.14 1.03 -2.73 3.69 7.27 -0.94 -4.80 117.38 117.76 2kot n GLN 45 Ca 0.00 -0.36 -0.04 0.00 0.07 0.00 0.00 57.00 56.67 2kot n GLN 45 Cb 0.00 -0.86 0.04 0.00 2.41 0.00 0.00 30.24 31.83 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 -0.25 1.86 0.14 1.69 7.94 -0.57 -4.94 117.00 122.88 2kot n LEU 46 Ca 0.00 -3.34 -0.23 0.00 -1.11 0.00 0.00 56.01 51.33 2kot n LEU 46 Cb 0.00 0.39 -0.16 0.00 0.53 0.00 0.00 43.42 44.19 2kot n LEU 46 CO 0.00 1.24 -0.21 1.55 -1.11 0.00 0.00 177.39 178.87 2kot h PRO 47 N 2.66 0.49 -0.19 1.96 0.13 -1.65 -3.25 132.00 132.14 2kot h PRO 47 Ca -0.08 -0.83 -0.09 0.00 -0.87 0.00 0.00 66.00 64.13 2kot h PRO 47 Cb 1.26 0.31 -0.01 0.00 0.13 0.00 0.00 31.00 32.69 2kot h PRO 47 CO 0.30 1.40 -0.26 0.45 -0.23 0.00 0.00 178.00 179.66 2kot h HIS 48 N 0.13 0.40 0.22 1.56 3.86 -1.92 -3.23 115.15 116.18 2kot h HIS 48 Ca -0.23 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 2kot h HIS 48 Cb 2.13 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.51 2kot h HIS 48 CO 0.12 0.60 -0.11 1.25 0.86 0.00 0.00 177.93 180.65 2kot h LEU 49 N 0.32 -0.25 -7.91 2.43 5.85 -1.92 -3.38 115.31 110.45 2kot h LEU 49 Ca 0.05 -0.23 -0.77 0.00 0.84 0.00 0.00 57.88 57.76 2kot h LEU 49 Cb 0.64 0.07 -0.26 0.00 0.37 0.00 0.00 40.66 41.47 2kot h LEU 49 CO 0.05 0.13 -0.07 -0.76 -0.34 0.00 0.00 178.44 177.44 2kot s LEU 50 N -9.46 6.40 0.35 2.25 1.43 -1.22 -4.45 118.68 113.99 2kot s LEU 50 Ca -0.14 -2.36 0.06 0.00 -1.03 0.00 0.00 54.13 50.66 2kot s LEU 50 Cb 0.02 -2.17 0.74 0.00 0.03 0.00 0.00 46.19 44.81 2kot s LEU 50 CO 0.57 -0.66 1.92 0.07 0.23 0.00 0.00 176.35 178.48 2kot h LYS 51 N 8.13 0.75 -4.06 1.70 -0.00 -1.75 -3.28 116.57 118.06 2kot h LYS 51 Ca -0.05 -0.05 -0.74 0.00 -0.00 0.00 0.00 60.65 59.81 2kot h LYS 51 Cb 1.06 -0.17 -0.14 0.00 -0.00 0.00 0.00 32.23 32.97 2kot h LYS 51 CO 0.85 0.50 1.97 -3.47 -0.00 0.00 0.00 179.45 179.30 2kot n ASP 52 N -4.51 4.98 0.08 7.07 2.03 -1.26 -4.74 116.55 120.22 2kot n ASP 52 Ca 0.13 -3.03 -0.09 0.00 0.52 0.00 0.00 54.79 52.33 2kot n ASP 52 Cb 0.31 -1.54 -0.05 0.00 -0.72 0.00 0.00 41.12 39.12 2kot n ASP 52 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2kot h VAL 53 N 4.14 1.56 0.09 5.18 -1.51 -1.90 -3.37 116.25 120.44 2kot h VAL 53 Ca 0.40 -2.90 -0.00 0.00 -1.23 0.00 0.00 66.70 62.96 2kot h VAL 53 Cb 0.71 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.51 2kot h VAL 53 CO 1.54 0.84 -0.04 1.23 -1.23 0.00 0.00 177.57 179.91 2kot h GLY 54 N 2.17 -0.12 -7.17 5.19 0.00 -1.94 -3.37 103.07 97.84 2kot h GLY 54 Ca -0.04 0.05 -0.79 0.00 0.00 0.00 0.00 47.33 46.54 2kot h GLY 54 CO 0.14 -0.04 0.92 -1.26 0.00 0.00 0.00 176.54 176.30 2kot n SER 55 N -4.90 5.79 -0.09 0.19 2.88 -1.26 -4.75 113.62 111.49 2kot n SER 55 Ca -0.08 -3.19 0.12 0.00 -1.33 0.00 0.00 58.87 54.39 2kot n SER 55 Cb 0.26 -1.37 0.31 0.00 -0.75 0.00 0.00 64.21 62.66 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 2.66 0.66 -0.00 2.46 -0.00 -1.26 -4.27 117.00 117.26 2kot n LEU 56 Ca 0.29 -0.08 0.06 0.00 -0.00 0.00 0.00 56.01 56.27 2kot n LEU 56 Cb 0.37 -0.21 0.45 0.00 -0.00 0.00 0.00 43.42 44.02 2kot n LEU 56 CO 0.64 0.14 1.16 -2.24 -0.00 0.00 0.00 177.39 177.10 2kot h ASP 57 N 0.42 0.44 -0.36 1.96 2.03 -1.95 0.20 116.42 119.16 2kot h ASP 57 Ca 0.00 -0.01 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 2kot h ASP 57 Cb 0.50 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.87 2kot h ASP 57 CO 0.00 0.31 0.22 -0.08 -1.03 0.00 0.00 179.24 178.66 2kot h GLU 58 N 0.51 0.44 0.00 4.15 4.81 -2.00 -2.56 114.58 119.93 2kot h GLU 58 Ca 0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2kot h GLU 58 Cb 0.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2kot h GLU 58 CO -0.04 0.29 -0.70 0.87 -0.73 0.00 0.00 179.01 178.70 2kot h LYS 59 N 0.45 0.00 -0.37 1.92 1.57 -1.78 -3.36 116.57 115.00 2kot h LYS 59 Ca 0.14 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2kot h LYS 59 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2kot h LYS 59 CO -0.05 0.00 -0.28 1.98 -0.57 0.00 0.00 179.45 180.53 2kot h MET 60 N 0.00 0.85 -0.42 3.15 4.05 -0.42 -2.86 114.93 119.27 2kot h MET 60 Ca 0.00 -0.41 0.03 0.00 -0.28 0.00 0.00 59.70 59.03 2kot h MET 60 Cb 0.92 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 2kot h MET 60 CO 0.00 1.05 0.28 0.87 0.23 0.00 0.00 176.91 179.34 2kot h LYS 61 N 0.65 0.46 -0.30 0.39 1.79 -1.61 -0.31 116.57 117.64 2kot h LYS 61 Ca 0.07 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.36 2kot h LYS 61 Cb 0.85 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2kot h LYS 61 CO 0.07 0.30 -0.43 0.77 -1.08 0.00 0.00 179.45 179.09 2kot h SER 62 N 0.47 0.80 -0.04 0.86 0.02 -1.71 -3.11 113.55 110.84 2kot h SER 62 Ca 0.17 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2kot h SER 62 Cb 0.09 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2kot h SER 62 CO -0.04 1.12 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.70 2kot h LEU 63 N 0.60 0.08 -6.29 5.07 3.38 -1.09 -3.28 115.31 113.78 2kot h LEU 63 Ca 0.04 -0.34 -0.79 0.00 0.09 0.00 0.00 57.88 56.88 2kot h LEU 63 Cb 0.99 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 2kot h LEU 63 CO 0.09 0.41 1.42 -0.67 0.09 0.00 0.00 178.44 179.78 2kot n ASP 64 N -4.87 7.02 0.10 -0.43 2.03 -0.22 -4.59 116.55 115.60 2kot n ASP 64 Ca -0.07 -3.43 0.07 0.00 0.52 0.00 0.00 54.79 51.88 2kot n ASP 64 Cb 0.20 -1.28 -0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 2.78 0.24 0.00 5.18 3.04 -1.61 -3.34 116.25 122.54 2kot h VAL 65 Ca 0.48 -1.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.75 2kot h VAL 65 Cb 0.42 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2kot h VAL 65 CO 1.34 0.13 -0.42 0.78 -1.01 0.00 0.00 177.57 178.39 2kot h ASN 66 N 0.00 0.00 -5.23 3.17 4.21 -1.90 -3.49 115.58 112.33 2kot h ASN 66 Ca -0.05 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.32 2kot h ASN 66 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2kot h ASN 66 CO 0.02 0.07 -0.18 0.00 -1.29 0.00 0.00 177.43 176.05 2kot n GLN 67 N -2.20 -1.64 -0.30 0.81 3.00 -1.25 -5.01 117.38 110.79 2kot n GLN 67 Ca 0.04 1.68 0.00 0.00 -0.01 0.00 0.00 57.00 58.71 2kot n GLN 67 Cb 0.44 -5.55 0.00 0.00 0.00 0.00 0.00 30.24 25.13 2kot n GLN 67 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kot n ASP 68 N -1.20 0.00 -2.02 1.08 2.03 -1.26 -5.02 116.55 110.15 2kot n ASP 68 Ca 0.04 -1.32 -0.16 0.00 0.52 0.00 0.00 54.79 53.86 2kot n ASP 68 Cb 0.48 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 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 -4.66 -4.34 1.67 7.64 -1.26 -4.98 113.62 107.69 2kot n SER 69 Ca 0.00 0.23 -0.25 0.00 1.01 0.00 0.00 58.87 59.86 2kot n SER 69 Cb 0.56 -4.03 -0.12 0.00 -1.01 0.00 0.00 64.21 59.61 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 -4.34 1.29 -0.44 1.43 2.02 -1.26 -4.57 118.70 112.83 2kot s GLU 70 Ca 0.00 -1.34 0.09 0.00 0.02 0.00 0.00 54.97 53.75 2kot s GLU 70 Cb 0.00 -1.53 0.39 0.00 0.10 0.00 0.00 34.13 33.09 2kot s GLU 70 CO 0.00 0.34 0.94 -0.11 0.02 0.00 0.00 175.26 176.45 2kot n LEU 71 N 0.65 3.06 -4.64 1.80 7.94 -0.27 -4.75 117.00 120.80 2kot n LEU 71 Ca -0.16 -4.98 -0.32 0.00 -1.11 0.00 0.00 56.01 49.44 2kot n LEU 71 Cb 0.55 -0.03 0.15 0.00 0.53 0.00 0.00 43.42 44.63 2kot n LEU 71 CO 0.26 2.14 0.58 1.17 -1.11 0.00 0.00 177.39 180.43 2kot n LYS 72 N -0.15 -0.29 0.25 1.96 4.81 -1.26 -1.78 118.16 121.70 2kot n LYS 72 Ca 0.27 -0.02 0.12 0.00 -0.87 0.00 0.00 58.31 57.81 2kot n LYS 72 Cb 0.62 -2.31 0.75 0.00 0.02 0.00 0.00 35.03 34.11 2kot n LYS 72 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2kot h PHE 73 N -1.62 0.00 0.00 5.64 3.04 -1.95 1.09 116.94 123.13 2kot h PHE 73 Ca -0.44 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.45 2kot h PHE 73 Cb 1.28 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 2kot h PHE 73 CO 0.47 0.00 -0.28 -0.97 -2.02 0.00 0.00 178.31 175.52 2kot h ASN 74 N 0.00 0.00 0.00 0.41 -0.73 -1.91 -1.59 115.58 111.76 2kot h ASN 74 Ca 0.02 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.83 2kot h ASN 74 Cb 0.11 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.63 2kot h ASN 74 CO -0.00 0.28 -2.37 -0.62 -0.37 0.00 0.00 177.43 174.35 2kot n GLU 75 N -3.46 0.76 0.12 6.67 4.71 -0.12 -4.39 120.64 124.94 2kot n GLU 75 Ca -0.00 0.03 0.13 0.00 -0.01 0.00 0.00 57.16 57.30 2kot n GLU 75 Cb 0.45 -1.50 0.43 0.00 -1.01 0.00 0.00 31.44 29.80 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 0.00 0.00 -0.09 -0.32 3.20 0.11 -3.27 116.97 116.60 2kot h TYR 76 Ca -0.54 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.36 2kot h TYR 76 Cb 2.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.40 2kot h TYR 76 CO 0.01 0.00 0.17 2.35 -1.64 0.00 0.00 178.16 179.04 2kot h TRP 77 N 0.00 0.00 -0.29 -3.82 7.01 -1.49 -1.37 115.95 115.99 2kot h TRP 77 Ca 0.00 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2kot h TRP 77 Cb 0.64 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 2kot h TRP 77 CO 0.00 0.00 -0.03 0.00 -2.79 0.00 0.00 178.44 175.62 2kot h ARG 78 N 0.00 0.45 0.10 2.65 2.47 -1.87 -2.60 114.38 115.58 2kot h ARG 78 Ca 0.04 -0.10 -0.32 0.00 -1.26 0.00 0.00 59.98 58.34 2kot h ARG 78 Cb 0.38 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 2kot h ARG 78 CO -0.00 0.50 -1.69 1.25 0.56 0.00 0.00 179.97 180.59 2kot h LEU 79 N 0.43 0.34 -1.13 3.04 5.85 -1.54 -3.30 115.31 119.01 2kot h LEU 79 Ca 0.09 -0.58 0.11 0.00 0.84 0.00 0.00 57.88 58.35 2kot h LEU 79 Cb 0.34 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2kot h LEU 79 CO 0.01 1.50 0.60 0.40 -0.34 0.00 0.00 178.44 180.61 2kot h ILE 80 N 0.06 0.93 -0.55 4.05 1.08 -1.36 0.41 117.51 122.13 2kot h ILE 80 Ca -0.30 -0.31 -0.09 0.00 -0.39 0.00 0.00 64.86 63.77 2kot h ILE 80 Cb 2.03 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 2kot h ILE 80 CO 0.13 0.17 -0.01 1.23 -0.69 0.00 0.00 178.15 178.98 2kot h GLY 81 N 0.91 1.05 2.00 5.37 0.00 -1.60 -2.74 103.07 108.05 2kot h GLY 81 Ca 0.45 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2kot h GLY 81 CO -0.22 0.71 -0.29 0.83 0.00 0.00 0.00 176.54 177.58 2kot h GLU 82 N 0.85 0.00 -0.12 4.80 4.39 -1.20 -0.91 114.58 122.38 2kot h GLU 82 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2kot h GLU 82 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2kot h GLU 82 CO 0.03 0.29 0.04 -0.07 -1.16 0.00 0.00 179.01 178.14 2kot h LEU 83 N 0.00 0.17 0.00 1.33 4.07 0.02 0.10 115.31 121.01 2kot h LEU 83 Ca -0.00 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2kot h LEU 83 Cb 0.70 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2kot h LEU 83 CO 0.04 0.32 -0.19 0.00 -1.08 0.00 0.00 178.44 177.53 2kot n ALA 84 N -2.23 2.60 -0.04 1.53 0.00 -1.09 -3.31 120.51 117.96 2kot n ALA 84 Ca -0.05 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2kot n ALA 84 Cb 0.13 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 2kot n ALA 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kot n LYS 85 N -1.87 0.68 0.03 0.00 4.81 -0.36 -4.24 118.16 117.21 2kot n LYS 85 Ca 0.06 0.36 0.11 0.00 -0.87 0.00 0.00 58.31 57.97 2kot n LYS 85 Cb 0.39 -1.71 0.46 0.00 0.02 0.00 0.00 35.03 34.19 2kot n LYS 85 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kot n GLU 86 N -3.82 0.06 0.16 1.64 -0.58 0.34 -2.49 120.64 115.94 2kot n GLU 86 Ca -0.33 0.18 0.04 0.00 -0.42 0.00 0.00 57.16 56.63 2kot n GLU 86 Cb 0.92 -1.59 0.45 0.00 -0.57 0.00 0.00 31.44 30.64 2kot n GLU 86 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2kot h ILE 87 N 0.00 1.15 0.00 -3.67 -0.00 -1.73 -3.12 117.51 110.14 2kot h ILE 87 Ca 0.00 -0.65 -0.05 0.00 -0.00 0.00 0.00 64.86 64.16 2kot h ILE 87 Cb 0.41 1.20 -0.01 0.00 -0.00 0.00 0.00 36.82 38.43 2kot h ILE 87 CO 0.00 0.20 -1.20 -2.11 -0.00 0.00 0.00 178.15 175.04 2kot n ARG 88 N -4.32 0.15 -1.75 2.19 0.00 -1.22 -4.83 116.66 106.89 2kot n ARG 88 Ca -0.01 0.02 -0.29 0.00 -0.00 0.00 0.00 57.85 57.57 2kot n ARG 88 Cb 0.24 -1.07 0.04 0.00 -0.00 0.00 0.00 32.46 31.67 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 -2.60 3.24 -0.14 2.89 2.85 -1.04 -4.68 118.16 118.68 2kot n LYS 89 Ca -0.06 -3.81 -0.10 0.00 -1.05 0.00 0.00 58.31 53.28 2kot n LYS 89 Cb 0.57 -2.28 0.02 0.00 -0.65 0.00 0.00 35.03 32.69 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 2.12 0.95 -1.76 -1.58 2.10 -1.75 -3.34 116.57 113.32 2kot h LYS 90 Ca 0.47 -0.40 -0.45 0.00 -2.00 0.00 0.00 60.65 58.27 2kot h LYS 90 Cb 1.22 -0.03 -0.40 0.00 -0.90 0.00 0.00 32.23 32.12 2kot h LYS 90 CO 1.11 1.06 -1.19 1.63 -2.00 0.00 0.00 179.45 180.06 2kot n LYS 91 N -4.11 1.01 0.28 0.07 5.02 -1.26 -4.97 118.16 114.19 2kot n LYS 91 Ca 0.00 -3.33 0.13 0.00 -2.02 0.00 0.00 58.31 53.10 2kot n LYS 91 Cb 0.45 -1.60 0.79 0.00 -0.02 0.00 0.00 35.03 34.66 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 3.00 0.00 0.54 4.39 2.03 -1.70 -0.54 116.42 124.13 2kot h ASP 92 Ca 0.05 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.06 2kot h ASP 92 Cb 1.02 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.53 2kot h ASP 92 CO 0.49 0.07 -1.31 0.25 -1.03 0.00 0.00 179.24 177.71 2kot h LEU 93 N 0.00 0.53 0.10 0.15 5.85 -1.93 -3.37 115.31 116.64 2kot h LEU 93 Ca -0.00 -0.57 -0.14 0.00 0.84 0.00 0.00 57.88 58.00 2kot h LEU 93 Cb 0.20 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.07 2kot h LEU 93 CO 0.01 1.45 -0.64 0.50 -0.34 0.00 0.00 178.44 179.42 2kot h LYS 94 N 0.09 0.21 -5.95 1.25 1.63 -1.92 -3.47 116.57 108.42 2kot h LYS 94 Ca -0.17 -0.37 -0.52 0.00 -0.85 0.00 0.00 60.65 58.74 2kot h LYS 94 Cb 2.03 0.14 -0.18 0.00 -0.60 0.00 0.00 32.23 33.61 2kot h LYS 94 CO 0.22 1.18 -0.79 0.96 -3.45 0.00 0.00 179.45 177.57 2kot s ILE 95 N -2.38 1.78 0.00 2.00 -4.36 -0.24 -5.07 121.20 112.94 2kot s ILE 95 Ca -0.16 -1.85 0.11 0.00 -0.26 0.00 0.00 60.65 58.49 2kot s ILE 95 Cb 0.00 -1.79 0.18 0.00 1.25 0.00 0.00 42.46 42.10 2kot s ILE 95 CO 0.79 -0.28 1.01 -2.11 0.24 0.00 0.00 174.94 174.58 2kot n ARG 96 N 0.43 0.00 -3.00 0.37 1.85 -1.26 -4.02 116.66 111.02 2kot n ARG 96 Ca -0.14 -1.28 0.03 0.00 -1.00 0.00 0.00 57.85 55.45 2kot n ARG 96 Cb 0.56 -0.03 -0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 0.00 0.38 0.00 2.89 -2.85 -1.26 -5.19 119.74 113.72 2kot s LYS 97 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 2kot s LYS 97 Cb 0.16 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 2kot s LYS 97 CO -0.07 -0.59 0.00 1.17 0.10 0.00 0.00 175.35 175.96