#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 0.32 -0.32 3.17 0.00 -1.26 -5.06 121.76 118.61 2kot s ALA 2 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 2kot s ALA 2 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2kot s ALA 2 CO 0.00 -0.30 0.87 0.00 0.00 0.00 0.00 175.76 176.33 2kot s ALA 3 N 1.63 3.51 -0.03 0.00 0.00 -1.26 -5.06 121.76 120.55 2kot s ALA 3 Ca -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2kot s ALA 3 Cb -0.13 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2kot s ALA 3 CO -0.03 -1.31 -0.09 -2.00 0.00 0.00 0.00 175.76 172.33 2kot s GLU 4 N 3.18 2.58 0.25 0.00 2.12 -1.26 -4.89 118.70 120.67 2kot s GLU 4 Ca 0.36 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 2kot s GLU 4 Cb -0.13 -2.49 -0.09 0.00 0.26 0.00 0.00 34.13 31.68 2kot s GLU 4 CO 0.14 0.63 1.27 -2.14 -0.54 0.00 0.00 175.26 174.61 2kot s PRO 5 N -1.05 4.43 0.00 4.30 0.02 -1.26 -4.95 135.00 136.49 2kot s PRO 5 Ca 0.14 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2kot s PRO 5 Cb -0.11 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2kot s PRO 5 CO 0.04 -0.15 0.00 1.28 -0.33 0.00 0.00 177.00 177.84 2kot n LEU 6 N 1.90 0.00 -4.70 -5.54 4.77 -1.26 -5.04 117.00 107.12 2kot n LEU 6 Ca 0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 2kot n LEU 6 Cb 0.43 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 2kot n LEU 6 CO 0.57 -0.19 -0.22 -0.89 -1.33 0.00 0.00 177.39 175.34 2kot s THR 7 N -0.38 2.71 0.25 -5.08 2.01 -1.26 -4.94 115.64 108.95 2kot s THR 7 Ca 0.00 -1.78 -0.03 0.00 0.31 0.00 0.00 61.69 60.19 2kot s THR 7 Cb 0.00 -2.93 0.23 0.00 0.01 0.00 0.00 72.50 69.81 2kot s THR 7 CO 0.00 -0.14 1.81 -0.08 -0.69 0.00 0.00 174.62 175.52 2kot h GLU 8 N 1.59 0.80 -0.02 4.92 4.81 -2.01 0.55 114.58 125.23 2kot h GLU 8 Ca -0.43 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.53 2kot h GLU 8 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2kot h GLU 8 CO 0.66 0.53 -0.91 -0.07 -0.73 0.00 0.00 179.01 178.49 2kot h LEU 9 N 0.83 0.57 -0.35 1.64 3.38 -2.01 -2.98 115.31 116.39 2kot h LEU 9 Ca 0.41 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2kot h LEU 9 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2kot h LEU 9 CO -0.25 1.23 -0.62 -0.33 0.09 0.00 0.00 178.44 178.56 2kot h GLU 10 N 0.26 0.00 -0.10 1.13 5.08 -1.87 -3.25 114.58 115.83 2kot h GLU 10 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 2kot h GLU 10 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2kot h GLU 10 CO 0.16 0.62 -0.62 1.49 -1.00 0.00 0.00 179.01 179.66 2kot h GLU 11 N 0.00 0.34 0.25 2.33 4.81 0.08 -2.70 114.58 119.69 2kot h GLU 11 Ca -0.01 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2kot h GLU 11 Cb 1.33 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2kot h GLU 11 CO 0.08 0.86 -0.13 0.77 -0.73 0.00 0.00 179.01 179.86 2kot h SER 12 N 0.25 -0.32 0.55 1.04 0.02 -1.55 0.25 113.55 113.79 2kot h SER 12 Ca -0.01 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2kot h SER 12 Cb 1.15 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2kot h SER 12 CO 0.10 -0.22 -0.14 0.16 -1.14 0.00 0.00 176.83 175.60 2kot h ILE 13 N -0.35 0.51 0.09 3.27 -0.00 -1.66 -2.81 117.51 116.54 2kot h ILE 13 Ca -0.03 -0.68 -0.26 0.00 -0.00 0.00 0.00 64.86 63.89 2kot h ILE 13 Cb 0.28 1.46 0.00 0.00 -0.00 0.00 0.00 36.82 38.56 2kot h ILE 13 CO 0.04 0.14 -1.13 -0.08 -0.00 0.00 0.00 178.15 177.12 2kot h GLU 14 N 0.00 0.31 -0.70 0.16 4.22 -1.09 -3.29 114.58 114.20 2kot h GLU 14 Ca -0.00 -0.45 -0.05 0.00 0.08 0.00 0.00 59.36 58.94 2kot h GLU 14 Cb 0.45 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2kot h GLU 14 CO 0.02 1.17 0.24 1.15 -2.18 0.00 0.00 179.01 179.41 2kot h THR 15 N 0.12 1.25 -0.13 0.32 2.02 -0.26 -0.69 112.91 115.54 2kot h THR 15 Ca -0.11 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.16 2kot h THR 15 Cb 1.83 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2kot h THR 15 CO 0.19 0.33 -0.30 0.58 0.37 0.00 0.00 175.52 176.69 2kot h VAL 16 N 1.02 1.26 0.02 3.16 2.07 -1.65 -2.24 116.25 119.89 2kot h VAL 16 Ca 0.23 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2kot h VAL 16 Cb 0.25 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2kot h VAL 16 CO -0.01 0.37 -0.01 0.58 0.02 0.00 0.00 177.57 178.52 2kot h VAL 17 N 0.22 1.24 0.00 2.57 2.07 -1.55 -3.30 116.25 117.50 2kot h VAL 17 Ca 0.03 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 2kot h VAL 17 Cb 0.64 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2kot h VAL 17 CO 0.05 0.41 -0.14 0.71 0.02 0.00 0.00 177.57 178.62 2kot h THR 18 N -0.96 0.64 0.19 2.57 1.35 -1.18 -1.23 112.91 114.29 2kot h THR 18 Ca -0.00 -0.59 -0.26 0.00 -0.55 0.00 0.00 66.41 65.01 2kot h THR 18 Cb 0.69 1.37 0.03 0.00 -1.73 0.00 0.00 68.15 68.50 2kot h THR 18 CO 0.00 0.13 -1.14 0.74 -0.25 0.00 0.00 175.52 175.01 2kot h THR 19 N 0.00 1.38 0.00 6.82 2.02 -1.55 -3.39 112.91 118.19 2kot h THR 19 Ca -0.00 -2.60 -0.11 0.00 0.77 0.00 0.00 66.41 64.47 2kot h THR 19 Cb 0.36 3.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 2kot h THR 19 CO 0.02 0.76 -2.09 0.33 0.37 0.00 0.00 175.52 174.91 2kot n PHE 20 N -3.94 0.00 0.35 3.16 7.35 -1.22 -4.41 117.46 118.75 2kot n PHE 20 Ca -0.16 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.63 2kot n PHE 20 Cb 0.95 -0.63 0.43 0.00 0.35 0.00 0.00 39.48 40.57 2kot n PHE 20 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2kot n PHE 21 N -2.39 0.55 0.19 -5.13 3.01 -0.47 -1.91 117.46 111.31 2kot n PHE 21 Ca -0.12 0.23 0.03 0.00 1.01 0.00 0.00 57.45 58.59 2kot n PHE 21 Cb 0.73 -0.87 0.36 0.00 -0.01 0.00 0.00 39.48 39.69 2kot n PHE 21 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 2kot h THR 22 N 0.00 1.26 0.00 4.37 2.02 -1.77 -2.64 112.91 116.15 2kot h THR 22 Ca 0.00 -1.25 -0.28 0.00 0.77 0.00 0.00 66.41 65.65 2kot h THR 22 Cb 0.25 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 2kot h THR 22 CO 0.00 0.36 -2.28 0.49 0.37 0.00 0.00 175.52 174.46 2kot n PHE 23 N -4.11 0.02 0.20 3.16 3.72 -0.89 -4.41 117.46 115.15 2kot n PHE 23 Ca -0.02 0.01 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 2kot n PHE 23 Cb 0.40 -0.89 0.40 0.00 -0.94 0.00 0.00 39.48 38.45 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 1.23 1.26 0.00 4.37 0.00 -1.37 -2.84 119.26 121.91 2kot h ALA 24 Ca -0.42 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2kot h ALA 24 Cb 1.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2kot h ALA 24 CO 0.02 0.43 0.00 0.07 0.00 0.00 0.00 179.25 179.78 2kot h ARG 25 N 0.00 0.00 -0.74 0.00 0.11 -1.68 -3.18 114.38 108.89 2kot h ARG 25 Ca -0.00 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.20 2kot h ARG 25 Cb 0.69 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.68 2kot h ARG 25 CO 0.04 0.00 0.33 0.37 0.10 0.00 0.00 179.97 180.82 2kot h GLN 26 N 0.00 0.51 0.00 0.08 4.15 -1.76 -3.43 115.11 114.66 2kot h GLN 26 Ca 0.00 -0.03 -0.41 0.00 0.77 0.00 0.00 58.65 58.98 2kot h GLN 26 Cb 0.28 -0.12 0.08 0.00 0.21 0.00 0.00 27.48 27.93 2kot h GLN 26 CO 0.00 0.34 0.12 0.39 -1.93 0.00 0.00 178.83 177.75 2kot n GLU 27 N -4.93 -0.10 -1.56 1.69 -0.58 -1.20 -5.05 120.64 108.90 2kot n GLU 27 Ca 0.13 -2.39 -0.39 0.00 -0.42 0.00 0.00 57.16 54.09 2kot n GLU 27 Cb 0.35 -0.63 0.03 0.00 -0.57 0.00 0.00 31.44 30.62 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 -1.90 -0.68 1.36 0.62 0.00 -1.26 -4.74 105.19 98.59 2kot n GLY 28 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.35 -3.88 0.08 1.61 3.00 -1.26 -4.72 116.66 111.14 2kot n ARG 29 Ca 0.12 2.87 -0.23 0.00 -0.01 0.00 0.00 57.85 60.59 2kot n ARG 29 Cb 0.45 -3.20 -0.15 0.00 0.00 0.00 0.00 32.46 29.55 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 1.67 0.41 0.00 5.56 1.79 -1.89 -3.35 116.57 120.76 2kot h LYS 30 Ca 0.00 -0.70 0.00 0.00 -2.18 0.00 0.00 60.65 57.77 2kot h LYS 30 Cb 0.00 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2kot h LYS 30 CO 0.00 1.34 -0.04 -0.44 -1.08 0.00 0.00 179.45 179.23 2kot h ASP 31 N 0.11 0.00 -3.30 0.86 3.32 -1.95 -3.42 116.42 112.04 2kot h ASP 31 Ca -0.34 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.14 2kot h ASP 31 Cb 2.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.62 2kot h ASP 31 CO 0.19 0.01 -0.09 -0.55 -1.72 0.00 0.00 179.24 177.08 2kot s SER 32 N -4.78 6.84 0.04 6.45 0.15 -1.26 -3.99 113.70 117.16 2kot s SER 32 Ca 0.10 1.08 -0.08 0.00 0.70 0.00 0.00 55.95 57.75 2kot s SER 32 Cb 0.11 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2kot s SER 32 CO 0.62 0.12 0.32 -0.76 1.20 0.00 0.00 173.24 174.74 2kot s LEU 33 N -1.86 4.36 0.61 3.45 1.02 0.22 -4.67 118.68 121.80 2kot s LEU 33 Ca 0.37 0.64 -0.17 0.00 0.02 0.00 0.00 54.13 54.99 2kot s LEU 33 Cb -0.15 -2.81 -0.03 0.00 0.02 0.00 0.00 46.19 43.22 2kot s LEU 33 CO 0.19 0.22 1.11 -0.55 0.02 0.00 0.00 176.35 177.34 2kot s SER 34 N -1.75 5.40 0.31 2.29 0.15 -1.26 -0.89 113.70 117.95 2kot s SER 34 Ca 0.30 2.06 0.16 0.00 0.70 0.00 0.00 55.95 59.18 2kot s SER 34 Cb -0.13 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.77 2kot s SER 34 CO 0.17 -1.43 1.49 1.62 1.20 0.00 0.00 173.24 176.29 2kot h VAL 35 N 0.55 0.76 0.00 4.45 3.04 -1.93 -3.11 116.25 120.01 2kot h VAL 35 Ca -0.48 -2.02 -0.22 0.00 -1.01 0.00 0.00 66.70 62.96 2kot h VAL 35 Cb 1.25 2.34 -0.04 0.00 -2.01 0.00 0.00 31.29 32.83 2kot h VAL 35 CO 0.55 0.43 -1.96 -3.20 -1.01 0.00 0.00 177.57 172.38 2kot n ASN 36 N -3.23 0.33 0.06 3.17 5.15 -1.26 -4.34 115.26 115.13 2kot n ASN 36 Ca 0.02 0.15 -0.13 0.00 -0.60 0.00 0.00 54.58 54.02 2kot n ASN 36 Cb 0.69 0.88 -0.13 0.00 -0.53 0.00 0.00 39.78 40.69 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 0.15 -0.22 1.20 5.08 -1.97 -3.29 114.58 115.53 2kot h GLU 37 Ca -0.29 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 2kot h GLU 37 Cb 1.76 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 2kot h GLU 37 CO 0.03 1.03 -0.20 0.27 -1.00 0.00 0.00 179.01 179.14 2kot h PHE 38 N 0.04 0.41 -0.32 4.33 -0.00 -1.76 -1.56 116.94 118.08 2kot h PHE 38 Ca -0.16 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.97 57.64 2kot h PHE 38 Cb 1.93 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 37.76 2kot h PHE 38 CO 0.04 0.56 -0.22 -0.22 -0.00 0.00 0.00 178.31 178.47 2kot h LYS 39 N 0.35 0.61 -0.05 6.09 3.64 -1.76 -1.87 116.57 123.57 2kot h LYS 39 Ca 0.06 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 2kot h LYS 39 Cb 0.55 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2kot h LYS 39 CO 0.04 0.79 -0.75 0.93 -2.27 0.00 0.00 179.45 178.18 2kot h GLU 40 N 0.54 0.32 -0.48 1.90 5.08 -1.55 -3.11 114.58 117.27 2kot h GLU 40 Ca 0.08 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 2kot h GLU 40 Cb 0.68 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2kot h GLU 40 CO 0.05 0.93 -0.17 1.25 -1.00 0.00 0.00 179.01 180.08 2kot h LEU 41 N 0.21 0.97 -1.41 1.33 5.85 -1.10 -2.52 115.31 118.65 2kot h LEU 41 Ca -0.03 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2kot h LEU 41 Cb 1.33 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2kot h LEU 41 CO 0.12 1.13 0.00 0.58 -0.34 0.00 0.00 178.44 179.94 2kot h VAL 42 N 0.81 0.00 -0.42 1.05 2.07 -1.39 -0.27 116.25 118.10 2kot h VAL 42 Ca 0.11 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2kot h VAL 42 Cb 0.74 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2kot h VAL 42 CO 0.06 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.06 2kot n THR 43 N -2.99 1.47 0.09 2.57 -1.04 -1.11 -2.72 114.28 110.55 2kot n THR 43 Ca 0.01 -1.25 0.00 0.00 -2.04 0.00 0.00 64.05 60.77 2kot n THR 43 Cb 0.29 0.25 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.49 0.00 0.00 -2.82 7.27 -0.97 -4.84 117.38 116.52 2kot n GLN 44 Ca 0.18 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.36 2kot n GLN 44 Cb 0.64 -0.04 -0.13 0.00 2.41 0.00 0.00 30.24 33.12 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 -3.18 0.50 -2.58 3.69 7.27 -0.35 -4.57 117.38 118.15 2kot n GLN 45 Ca 0.00 -0.12 -0.14 0.00 0.07 0.00 0.00 57.00 56.80 2kot n GLN 45 Cb 0.01 -1.55 0.02 0.00 2.41 0.00 0.00 30.24 31.14 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 -2.13 2.71 0.06 1.69 7.94 -0.26 -4.93 117.00 122.08 2kot n LEU 46 Ca -0.02 -4.16 -0.15 0.00 -1.11 0.00 0.00 56.01 50.57 2kot n LEU 46 Cb 0.51 0.11 -0.14 0.00 0.53 0.00 0.00 43.42 44.43 2kot n LEU 46 CO 0.44 1.74 -0.31 1.55 -1.11 0.00 0.00 177.39 179.71 2kot h PRO 47 N 2.76 0.21 -0.20 1.96 0.13 -1.76 -3.36 132.00 131.75 2kot h PRO 47 Ca 0.05 -0.36 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 2kot h PRO 47 Cb 1.14 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kot h PRO 47 CO 0.59 1.06 -0.46 0.45 -0.23 0.00 0.00 178.00 179.40 2kot h HIS 48 N 0.06 0.60 0.05 1.56 3.86 -1.91 -3.36 115.15 116.00 2kot h HIS 48 Ca -0.23 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2kot h HIS 48 Cb 1.99 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.34 2kot h HIS 48 CO 0.05 0.87 -0.02 1.25 0.86 0.00 0.00 177.93 180.94 2kot h LEU 49 N 0.40 -0.05 -8.33 2.43 5.85 -1.95 -3.40 115.31 110.27 2kot h LEU 49 Ca 0.02 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.16 2kot h LEU 49 Cb 0.96 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 2kot h LEU 49 CO 0.09 -0.03 0.80 -0.76 -0.34 0.00 0.00 178.44 178.19 2kot s LEU 50 N -4.35 3.77 0.34 2.25 1.43 -1.26 -4.77 118.68 116.08 2kot s LEU 50 Ca -0.01 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 52.51 2kot s LEU 50 Cb 0.00 -2.53 0.82 0.00 0.03 0.00 0.00 46.19 44.51 2kot s LEU 50 CO 0.03 -1.62 1.81 0.07 0.23 0.00 0.00 176.35 176.87 2kot h LYS 51 N 9.77 0.67 -4.19 1.70 -0.00 -1.78 -3.24 116.57 119.50 2kot h LYS 51 Ca -0.28 -0.04 -0.73 0.00 -0.00 0.00 0.00 60.65 59.60 2kot h LYS 51 Cb 1.06 -0.15 -0.12 0.00 -0.00 0.00 0.00 32.23 33.02 2kot h LYS 51 CO 1.22 0.44 2.14 -0.25 -0.00 0.00 0.00 179.45 183.01 2kot n ASP 52 N -4.66 4.84 0.06 7.07 8.00 -1.26 -4.74 116.55 125.85 2kot n ASP 52 Ca 0.21 -3.00 -0.06 0.00 0.71 0.00 0.00 54.79 52.66 2kot n ASP 52 Cb 0.58 -1.57 0.11 0.00 -0.02 0.00 0.00 41.12 40.22 2kot n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2kot h VAL 53 N 4.23 1.35 0.14 2.53 -1.51 -1.89 -3.32 116.25 117.79 2kot h VAL 53 Ca 0.42 -1.83 -0.34 0.00 -1.23 0.00 0.00 66.70 63.71 2kot h VAL 53 Cb 0.72 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2kot h VAL 53 CO 1.58 0.55 -1.81 1.23 -1.23 0.00 0.00 177.57 177.89 2kot h GLY 54 N 1.28 0.35 -6.53 5.19 0.00 -1.93 -3.40 103.07 98.03 2kot h GLY 54 Ca 0.00 -0.88 -0.75 0.00 0.00 0.00 0.00 47.33 45.70 2kot h GLY 54 CO 0.09 0.77 2.06 -1.26 0.00 0.00 0.00 176.54 178.21 2kot n SER 55 N -3.62 5.00 -0.82 0.19 2.88 -1.25 -4.61 113.62 111.39 2kot n SER 55 Ca -0.28 -3.08 0.09 0.00 -1.33 0.00 0.00 58.87 54.27 2kot n SER 55 Cb 1.03 -1.50 0.12 0.00 -0.75 0.00 0.00 64.21 63.10 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 4.24 2.80 0.21 2.46 -0.00 -1.26 -4.53 117.00 120.91 2kot n LEU 56 Ca 0.41 -1.25 0.05 0.00 -0.00 0.00 0.00 56.01 55.22 2kot n LEU 56 Cb 0.37 -0.10 0.49 0.00 -0.00 0.00 0.00 43.42 44.19 2kot n LEU 56 CO 0.81 0.55 0.91 -2.24 -0.00 0.00 0.00 177.39 177.42 2kot h ASP 57 N 3.58 0.04 -0.43 1.96 2.03 -1.94 0.13 116.42 121.78 2kot h ASP 57 Ca 0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 2kot h ASP 57 Cb 0.80 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.27 2kot h ASP 57 CO 0.00 0.21 0.22 -0.08 -1.03 0.00 0.00 179.24 178.55 2kot h GLU 58 N 0.04 0.62 0.07 4.15 4.81 -1.99 -2.85 114.58 119.43 2kot h GLU 58 Ca 0.01 -0.08 -0.28 0.00 -0.13 0.00 0.00 59.36 58.87 2kot h GLU 58 Cb 0.31 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2kot h GLU 58 CO 0.02 0.52 -1.45 0.87 -0.73 0.00 0.00 179.01 178.24 2kot h LYS 59 N 0.56 0.14 -0.86 1.92 6.56 -1.83 -3.28 116.57 119.77 2kot h LYS 59 Ca 0.15 -0.24 0.13 0.00 -1.06 0.00 0.00 60.65 59.63 2kot h LYS 59 Cb 0.10 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 31.78 2kot h LYS 59 CO -0.02 0.96 0.56 1.98 -2.06 0.00 0.00 179.45 180.87 2kot h MET 60 N 0.04 0.69 0.15 3.15 4.05 -0.71 0.14 114.93 122.44 2kot h MET 60 Ca -0.20 -0.04 -0.30 0.00 -0.28 0.00 0.00 59.70 58.88 2kot h MET 60 Cb 1.96 -0.15 0.03 0.00 -0.80 0.00 0.00 31.60 32.64 2kot h MET 60 CO 0.14 0.45 -1.25 0.87 0.23 0.00 0.00 176.91 177.35 2kot h LYS 61 N 0.71 0.58 -0.11 0.39 1.79 -1.64 -3.24 116.57 115.04 2kot h LYS 61 Ca 0.42 -0.83 -0.08 0.00 -2.18 0.00 0.00 60.65 57.99 2kot h LYS 61 Cb 0.63 0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 2kot h LYS 61 CO -0.18 1.38 -0.27 0.77 -1.08 0.00 0.00 179.45 180.06 2kot h SER 62 N 0.18 0.20 0.73 0.86 0.02 -1.44 -3.28 113.55 110.82 2kot h SER 62 Ca -0.20 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2kot h SER 62 Cb 1.94 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 64.43 2kot h SER 62 CO 0.24 0.47 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.98 2kot h LEU 63 N 0.18 -0.83 -7.81 5.07 3.38 -0.84 -3.36 115.31 111.10 2kot h LEU 63 Ca 0.03 0.03 -0.70 0.00 0.09 0.00 0.00 57.88 57.32 2kot h LEU 63 Cb 0.58 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 2kot h LEU 63 CO 0.04 -0.46 1.82 -1.81 0.09 0.00 0.00 178.44 178.13 2kot s ASP 64 N -4.43 6.93 0.22 -0.43 1.01 -1.22 -4.37 116.67 114.37 2kot s ASP 64 Ca -0.14 -2.65 0.11 0.00 0.71 0.00 0.00 52.55 50.58 2kot s ASP 64 Cb 0.01 -2.50 0.10 0.00 1.01 0.00 0.00 42.92 41.54 2kot s ASP 64 CO 0.43 -1.00 1.45 1.62 0.21 0.00 0.00 175.17 177.88 2kot h VAL 65 N 5.23 1.40 0.00 -1.27 3.04 -1.73 -3.28 116.25 119.63 2kot h VAL 65 Ca 0.39 -2.63 -0.19 0.00 -1.01 0.00 0.00 66.70 63.26 2kot h VAL 65 Cb 0.88 2.47 -0.03 0.00 -2.01 0.00 0.00 31.29 32.60 2kot h VAL 65 CO 1.37 0.72 -1.24 0.78 -1.01 0.00 0.00 177.57 178.18 2kot h ASN 66 N 0.00 0.00 -5.30 3.17 2.35 -1.94 -3.50 115.58 110.36 2kot h ASN 66 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2kot h ASN 66 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2kot h ASN 66 CO 0.10 0.71 -0.73 0.00 -1.65 0.00 0.00 177.43 175.85 2kot n GLN 67 N -3.05 -2.76 0.00 0.81 6.02 -1.24 -5.05 117.38 112.11 2kot n GLN 67 Ca -0.08 2.33 0.00 0.00 -0.01 0.00 0.00 57.00 59.25 2kot n GLN 67 Cb 0.88 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.80 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 0.13 0.00 0.11 1.08 -0.08 -1.26 -5.10 116.55 111.43 2kot n ASP 68 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2kot n ASP 68 Cb 0.29 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.69 2kot n ASP 68 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kot n SER 69 N -2.41 -1.96 -4.81 1.67 7.64 -1.26 -5.16 113.62 107.32 2kot n SER 69 Ca 0.00 0.48 -0.27 0.00 1.01 0.00 0.00 58.87 60.09 2kot n SER 69 Cb 0.00 2.04 -0.05 0.00 -1.01 0.00 0.00 64.21 65.19 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 -2.00 2.24 -0.55 1.43 2.02 -1.26 -4.62 118.70 115.96 2kot s GLU 70 Ca 0.00 -2.03 -0.16 0.00 0.02 0.00 0.00 54.97 52.80 2kot s GLU 70 Cb 0.00 -1.94 0.13 0.00 0.10 0.00 0.00 34.13 32.42 2kot s GLU 70 CO 0.00 -0.38 0.51 -0.51 0.02 0.00 0.00 175.26 174.90 2kot s LEU 71 N -4.06 6.21 0.89 1.80 1.02 -0.07 -4.95 118.68 119.52 2kot s LEU 71 Ca 0.31 -1.82 -0.11 0.00 0.02 0.00 0.00 54.13 52.53 2kot s LEU 71 Cb 0.01 -2.21 0.13 0.00 0.02 0.00 0.00 46.19 44.14 2kot s LEU 71 CO 0.18 -0.85 1.10 -0.75 0.02 0.00 0.00 176.35 176.05 2kot s LYS 72 N 1.55 1.25 0.52 1.70 2.20 -1.26 -0.61 119.74 125.10 2kot s LYS 72 Ca 0.03 1.11 0.18 0.00 -0.36 0.00 0.00 55.97 56.94 2kot s LYS 72 Cb -0.29 -1.79 1.32 0.00 -1.51 0.00 0.00 37.83 35.56 2kot s LYS 72 CO 0.03 -2.33 2.14 0.35 -0.36 0.00 0.00 175.35 175.18 2kot h PHE 73 N -1.63 0.00 0.00 4.03 3.04 -1.95 0.76 116.94 121.19 2kot h PHE 73 Ca -0.47 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.38 2kot h PHE 73 Cb 1.27 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 2kot h PHE 73 CO 0.47 0.03 -0.45 -0.97 -2.02 0.00 0.00 178.31 175.37 2kot h ASN 74 N 0.00 0.00 0.09 0.41 -0.73 -1.94 -1.27 115.58 112.14 2kot h ASN 74 Ca -0.00 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.85 2kot h ASN 74 Cb 0.05 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 2kot h ASN 74 CO 0.00 0.45 -1.70 -0.33 -0.37 0.00 0.00 177.43 175.49 2kot h GLU 75 N 0.00 0.20 0.00 6.67 3.07 -1.33 -3.37 114.58 119.82 2kot h GLU 75 Ca -0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2kot h GLU 75 Cb 0.90 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2kot h GLU 75 CO 0.06 1.16 0.00 -0.92 -1.40 0.00 0.00 179.01 177.91 2kot h TYR 76 N -0.28 0.00 -0.32 4.33 3.20 0.42 -3.23 116.97 121.09 2kot h TYR 76 Ca -0.38 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.58 2kot h TYR 76 Cb 1.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 2kot h TYR 76 CO 0.09 0.00 0.38 2.35 -1.64 0.00 0.00 178.16 179.34 2kot h TRP 77 N 0.00 0.00 0.00 -3.82 7.01 -1.39 -1.04 115.95 116.72 2kot h TRP 77 Ca 0.00 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 2kot h TRP 77 Cb 0.37 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2kot h TRP 77 CO 0.00 0.00 -0.17 0.00 -2.79 0.00 0.00 178.44 175.48 2kot h ARG 78 N 0.00 0.00 0.00 2.65 2.47 -1.84 -2.80 114.38 114.87 2kot h ARG 78 Ca 0.15 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.68 2kot h ARG 78 Cb 0.91 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.20 2kot h ARG 78 CO -0.00 0.17 -1.70 -0.11 0.56 0.00 0.00 179.97 178.89 2kot n LEU 79 N -3.62 0.57 -0.17 3.04 7.94 -0.41 -3.72 117.00 120.62 2kot n LEU 79 Ca -0.01 0.25 -0.03 0.00 -1.11 0.00 0.00 56.01 55.10 2kot n LEU 79 Cb 0.30 0.15 0.16 0.00 0.53 0.00 0.00 43.42 44.56 2kot n LEU 79 CO 0.32 0.20 1.00 0.40 -1.11 0.00 0.00 177.39 178.20 2kot h ILE 80 N 0.00 1.23 -0.23 1.96 1.08 -1.36 0.21 117.51 120.40 2kot h ILE 80 Ca -0.22 -0.80 -0.16 0.00 -0.39 0.00 0.00 64.86 63.29 2kot h ILE 80 Cb 1.65 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 2kot h ILE 80 CO 0.04 0.31 -0.48 1.23 -0.69 0.00 0.00 178.15 178.56 2kot h GLY 81 N 1.01 0.81 2.00 5.37 0.00 -1.67 -3.06 103.07 107.53 2kot h GLY 81 Ca 0.20 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 2kot h GLY 81 CO -0.01 0.86 -0.11 0.83 0.00 0.00 0.00 176.54 178.12 2kot h GLU 82 N 0.46 0.00 -0.07 4.80 4.39 -1.60 -1.72 114.58 120.85 2kot h GLU 82 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kot h GLU 82 Cb 1.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2kot h GLU 82 CO 0.11 0.11 0.04 1.25 -1.16 0.00 0.00 179.01 179.35 2kot h LEU 83 N 0.00 0.09 0.00 1.33 5.85 -0.85 -0.93 115.31 120.80 2kot h LEU 83 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kot h LEU 83 Cb 0.48 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kot h LEU 83 CO 0.01 0.15 -0.55 0.00 -0.34 0.00 0.00 178.44 177.72 2kot n ALA 84 N -2.16 3.29 0.03 1.25 0.00 -1.17 -3.45 120.51 118.31 2kot n ALA 84 Ca -0.06 -0.31 -0.19 0.00 0.00 0.00 0.00 53.44 52.88 2kot n ALA 84 Cb 0.07 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 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 0.26 -0.00 0.00 3.64 -1.25 -3.36 116.57 115.85 2kot h LYS 85 Ca 0.00 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2kot h LYS 85 Cb 0.59 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2kot h LYS 85 CO 0.00 1.11 -0.28 0.39 -2.27 0.00 0.00 179.45 178.40 2kot n GLU 86 N -3.44 0.33 -0.15 1.90 -0.58 -0.36 -3.06 120.64 115.27 2kot n GLU 86 Ca -0.24 -0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 56.27 2kot n GLU 86 Cb 1.05 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.50 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 0.38 1.26 0.00 -3.67 -0.00 -1.71 -3.00 117.51 110.78 2kot h ILE 87 Ca 0.00 -1.20 -0.27 0.00 -0.00 0.00 0.00 64.86 63.39 2kot h ILE 87 Cb 0.47 0.95 -0.05 0.00 -0.00 0.00 0.00 36.82 38.19 2kot h ILE 87 CO 0.00 0.42 -2.02 -2.11 -0.00 0.00 0.00 178.15 174.44 2kot n ARG 88 N -4.16 1.56 -3.20 2.19 0.00 -1.26 -4.80 116.66 106.99 2kot n ARG 88 Ca 0.02 -0.01 -0.23 0.00 -0.00 0.00 0.00 57.85 57.63 2kot n ARG 88 Cb 0.37 -1.38 -0.06 0.00 -0.00 0.00 0.00 32.46 31.40 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 -2.56 1.42 0.07 2.89 2.85 -1.17 -4.91 118.16 116.76 2kot n LYS 89 Ca -0.24 -3.73 -0.13 0.00 -1.05 0.00 0.00 58.31 53.16 2kot n LYS 89 Cb 0.98 -1.67 -0.05 0.00 -0.65 0.00 0.00 35.03 33.65 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 3.60 0.38 -2.05 -1.58 -0.00 -1.74 -3.39 116.57 111.79 2kot h LYS 90 Ca 0.11 -0.42 -0.57 0.00 -0.00 0.00 0.00 60.65 59.78 2kot h LYS 90 Cb 0.82 0.12 -0.39 0.00 -0.00 0.00 0.00 32.23 32.78 2kot h LYS 90 CO 0.58 1.09 -1.03 1.63 -0.00 0.00 0.00 179.45 181.72 2kot n LYS 91 N -3.72 0.92 -1.74 0.07 5.02 -1.26 -5.04 118.16 112.40 2kot n LYS 91 Ca -0.06 -3.41 -0.42 0.00 -2.02 0.00 0.00 58.31 52.40 2kot n LYS 91 Cb 0.84 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 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 1.41 3.67 0.00 4.39 5.75 -1.26 -3.16 116.55 127.34 2kot n ASP 92 Ca 0.23 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 2kot n ASP 92 Cb 0.51 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 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 7.25 0.00 -0.09 -2.12 7.94 -1.26 -5.01 117.00 123.71 2kot n LEU 93 Ca 0.51 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.26 2kot n LEU 93 Cb 0.41 0.19 -0.07 0.00 0.53 0.00 0.00 43.42 44.47 2kot n LEU 93 CO 0.90 -0.19 -0.45 0.50 -1.11 0.00 0.00 177.39 177.04 2kot h LYS 94 N 0.00 0.00 -5.18 1.96 1.63 -2.01 -3.47 116.57 109.51 2kot h LYS 94 Ca 0.00 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.14 2kot h LYS 94 Cb 0.00 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 31.35 2kot h LYS 94 CO 0.00 0.58 -0.76 0.96 -3.45 0.00 0.00 179.45 176.78 2kot s ILE 95 N -2.31 3.06 -0.27 2.00 -4.36 -1.19 -5.02 121.20 113.12 2kot s ILE 95 Ca -0.23 -0.63 0.21 0.00 -0.26 0.00 0.00 60.65 59.75 2kot s ILE 95 Cb 0.04 -2.33 0.49 0.00 1.25 0.00 0.00 42.46 41.92 2kot s ILE 95 CO 0.43 0.49 1.16 -2.11 0.24 0.00 0.00 174.94 175.16 2kot n ARG 96 N 4.10 1.66 -2.91 0.37 1.85 -1.26 -4.36 116.66 116.10 2kot n ARG 96 Ca -0.18 -3.19 -0.14 0.00 -1.00 0.00 0.00 57.85 53.34 2kot n ARG 96 Cb 0.52 -1.32 0.01 0.00 -1.05 0.00 0.00 32.46 30.62 2kot n ARG 96 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2kot n LYS 97 N -0.71 0.77 0.00 2.89 2.85 -1.26 -5.14 118.16 117.56 2kot n LYS 97 Ca 0.04 -2.28 0.08 0.00 -1.05 0.00 0.00 58.31 55.09 2kot n LYS 97 Cb 0.81 -1.37 0.07 0.00 -0.65 0.00 0.00 35.03 33.89 2kot n LYS 97 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52