#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 1.45 -0.13 3.17 0.00 -1.26 -5.11 121.76 119.88 2kot s ALA 2 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 2kot s ALA 2 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2kot s ALA 2 CO 0.00 0.25 0.45 0.00 0.00 0.00 0.00 175.76 176.46 2kot s ALA 3 N -1.24 3.50 -0.04 0.00 0.00 -1.26 -5.08 121.76 117.63 2kot s ALA 3 Ca 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 2kot s ALA 3 Cb -0.10 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.41 2kot s ALA 3 CO 0.03 -0.03 0.10 -2.00 0.00 0.00 0.00 175.76 173.86 2kot s GLU 4 N 0.70 0.08 0.33 0.00 2.12 -1.26 -4.87 118.70 115.80 2kot s GLU 4 Ca 0.24 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 2kot s GLU 4 Cb -0.15 -0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.10 2kot s GLU 4 CO 0.09 -0.08 1.04 -1.25 -0.54 0.00 0.00 175.26 174.53 2kot s PRO 5 N 0.49 4.46 0.20 4.30 0.04 -1.26 -4.97 135.00 138.27 2kot s PRO 5 Ca -0.04 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2kot s PRO 5 Cb -0.05 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2kot s PRO 5 CO -0.02 0.11 0.00 1.28 0.04 0.00 0.00 177.00 178.41 2kot n LEU 6 N 0.60 0.08 -4.73 -3.56 4.77 -1.26 -5.04 117.00 107.86 2kot n LEU 6 Ca 0.02 0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 56.11 2kot n LEU 6 Cb 0.48 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2kot n LEU 6 CO 0.48 -0.73 -0.20 -0.89 -1.33 0.00 0.00 177.39 174.72 2kot s THR 7 N -1.80 3.05 0.19 -5.08 2.01 -1.26 -4.99 115.64 107.76 2kot s THR 7 Ca 0.00 -1.70 -0.12 0.00 0.31 0.00 0.00 61.69 60.18 2kot s THR 7 Cb 0.00 -2.98 0.12 0.00 0.01 0.00 0.00 72.50 69.65 2kot s THR 7 CO 0.00 -0.19 1.86 -0.08 -0.69 0.00 0.00 174.62 175.52 2kot h GLU 8 N 1.56 0.86 0.00 4.92 4.81 -2.01 0.90 114.58 125.62 2kot h GLU 8 Ca -0.44 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 2kot h GLU 8 Cb 1.25 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2kot h GLU 8 CO 0.63 0.57 -0.64 -0.07 -0.73 0.00 0.00 179.01 178.77 2kot h LEU 9 N 0.89 0.00 -0.18 1.64 3.38 -2.01 -2.78 115.31 116.25 2kot h LEU 9 Ca 0.24 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 2kot h LEU 9 Cb -0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2kot h LEU 9 CO -0.06 0.64 -0.64 -0.33 0.09 0.00 0.00 178.44 178.14 2kot h GLU 10 N 0.00 0.75 0.00 1.13 5.08 -1.89 -3.19 114.58 116.45 2kot h GLU 10 Ca -0.01 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 2kot h GLU 10 Cb 1.14 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kot h GLU 10 CO 0.08 1.18 -0.13 1.49 -1.00 0.00 0.00 179.01 180.64 2kot h GLU 11 N 0.47 0.00 -0.65 2.33 4.81 -0.79 0.54 114.58 121.29 2kot h GLU 11 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2kot h GLU 11 Cb 1.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 2kot h GLU 11 CO 0.14 0.13 0.34 0.77 -0.73 0.00 0.00 179.01 179.66 2kot h SER 12 N 0.00 0.82 0.54 1.04 0.02 -1.48 -0.56 113.55 113.94 2kot h SER 12 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2kot h SER 12 Cb 0.27 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2kot h SER 12 CO 0.02 0.69 -1.16 2.30 -1.14 0.00 0.00 176.83 177.54 2kot n ILE 13 N -4.52 0.28 0.13 3.27 -6.64 -1.08 -4.30 119.36 106.50 2kot n ILE 13 Ca 0.05 -0.37 -0.24 0.00 -1.77 0.00 0.00 62.75 60.41 2kot n ILE 13 Cb 0.10 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.14 2kot n ILE 13 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2kot h GLU 14 N 0.00 0.51 -0.17 6.28 4.22 -0.78 -3.33 114.58 121.32 2kot h GLU 14 Ca 0.00 -0.87 -0.02 0.00 0.08 0.00 0.00 59.36 58.55 2kot h GLU 14 Cb 0.85 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kot h GLU 14 CO 0.00 1.42 0.03 1.15 -2.18 0.00 0.00 179.01 179.43 2kot h THR 15 N 0.14 1.09 -0.05 0.32 2.02 -1.29 -1.84 112.91 113.30 2kot h THR 15 Ca -0.28 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 2kot h THR 15 Cb 2.16 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2kot h THR 15 CO 0.26 0.12 -0.35 0.58 0.37 0.00 0.00 175.52 176.49 2kot h VAL 16 N 0.24 1.27 0.09 3.16 2.07 -1.75 -2.74 116.25 118.58 2kot h VAL 16 Ca 0.06 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2kot h VAL 16 Cb 0.12 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kot h VAL 16 CO -0.00 0.38 -0.04 0.58 0.02 0.00 0.00 177.57 178.50 2kot h VAL 17 N 0.09 0.00 -0.70 2.57 2.07 -1.45 -3.27 116.25 115.57 2kot h VAL 17 Ca 0.01 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.31 2kot h VAL 17 Cb 0.67 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2kot h VAL 17 CO 0.05 0.00 0.47 0.71 0.02 0.00 0.00 177.57 178.82 2kot h THR 18 N -0.47 0.83 -0.06 2.57 1.35 -1.55 0.23 112.91 115.82 2kot h THR 18 Ca -0.01 -0.14 -0.07 0.00 -0.55 0.00 0.00 66.41 65.64 2kot h THR 18 Cb 0.09 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2kot h THR 18 CO 0.02 0.08 -0.23 0.74 -0.25 0.00 0.00 175.52 175.87 2kot h THR 19 N 0.41 1.44 0.00 6.82 2.02 -1.66 -3.38 112.91 118.57 2kot h THR 19 Ca 0.33 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 65.79 2kot h THR 19 Cb 0.73 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 2kot h THR 19 CO -0.10 0.46 -1.71 0.33 0.37 0.00 0.00 175.52 174.87 2kot n PHE 20 N -4.52 0.40 0.32 3.16 7.35 -1.12 -4.32 117.46 118.73 2kot n PHE 20 Ca -0.08 0.12 0.20 0.00 -0.76 0.00 0.00 57.45 56.93 2kot n PHE 20 Cb 0.45 -0.78 1.08 0.00 0.35 0.00 0.00 39.48 40.58 2kot n PHE 20 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2kot h PHE 21 N 0.00 0.00 -0.42 -5.13 -1.00 -0.71 0.16 116.94 109.85 2kot h PHE 21 Ca -0.10 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 2kot h PHE 21 Cb 1.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.80 2kot h PHE 21 CO 0.00 0.00 0.01 1.15 -1.61 0.00 0.00 178.31 177.86 2kot h THR 22 N 0.00 1.22 0.03 -1.55 2.02 -1.75 -1.16 112.91 111.72 2kot h THR 22 Ca 0.01 -0.89 -0.32 0.00 0.77 0.00 0.00 66.41 65.99 2kot h THR 22 Cb 0.14 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2kot h THR 22 CO -0.00 0.31 -1.85 0.49 0.37 0.00 0.00 175.52 174.84 2kot n PHE 23 N -4.25 0.96 0.33 3.16 3.72 -0.34 -4.23 117.46 116.82 2kot n PHE 23 Ca 0.02 0.30 0.15 0.00 -0.05 0.00 0.00 57.45 57.87 2kot n PHE 23 Cb 0.27 -1.16 0.54 0.00 -0.94 0.00 0.00 39.48 38.19 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 0.75 1.00 -0.23 4.37 0.00 -0.97 -3.15 119.26 121.04 2kot h ALA 24 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kot h ALA 24 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kot h ALA 24 CO 0.07 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.21 2kot n ARG 25 N -2.80 1.55 0.12 0.00 1.85 -0.45 -4.10 116.66 112.83 2kot n ARG 25 Ca 0.02 -0.83 -0.19 0.00 -1.00 0.00 0.00 57.85 55.85 2kot n ARG 25 Cb 0.33 -1.20 -0.15 0.00 -1.05 0.00 0.00 32.46 30.39 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 1.34 0.37 0.00 2.89 4.15 -1.80 -3.46 115.11 118.59 2kot h GLN 26 Ca 0.00 -0.63 -0.25 0.00 0.77 0.00 0.00 58.65 58.55 2kot h GLN 26 Cb 0.33 0.23 0.03 0.00 0.21 0.00 0.00 27.48 28.28 2kot h GLN 26 CO 0.00 1.29 0.01 0.39 -1.93 0.00 0.00 178.83 178.59 2kot n GLU 27 N -3.59 0.56 -1.62 1.69 -0.58 -1.26 -5.06 120.64 110.78 2kot n GLU 27 Ca -0.12 -1.53 -0.44 0.00 -0.42 0.00 0.00 57.16 54.65 2kot n GLU 27 Cb 1.06 -0.22 -0.01 0.00 -0.57 0.00 0.00 31.44 31.70 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 1.21 -0.05 1.74 0.62 0.00 -1.26 -4.58 105.19 102.86 2kot n GLY 28 Ca 0.09 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.60 -4.47 0.17 1.61 3.00 -1.26 -4.77 116.66 111.55 2kot n ARG 29 Ca 0.08 3.26 0.03 0.00 -0.01 0.00 0.00 57.85 61.22 2kot n ARG 29 Cb 0.34 -3.40 0.30 0.00 0.00 0.00 0.00 32.46 29.70 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 3.41 0.00 -2.15 5.56 1.79 -1.89 -3.26 116.57 120.02 2kot h LYS 30 Ca 0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 2kot h LYS 30 Cb 0.00 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.40 2kot h LYS 30 CO 0.00 0.44 1.11 -0.25 -1.08 0.00 0.00 179.45 179.67 2kot n ASP 31 N -3.69 7.41 -3.57 0.86 8.00 -1.26 -4.49 116.55 119.81 2kot n ASP 31 Ca -0.01 -3.65 -0.15 0.00 0.71 0.00 0.00 54.79 51.69 2kot n ASP 31 Cb 0.52 -1.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.88 -0.50 -0.22 -2.24 1.04 -1.23 -3.30 113.70 106.37 2kot s SER 32 Ca 0.48 0.36 -0.07 0.00 0.48 0.00 0.00 55.95 57.20 2kot s SER 32 Cb 0.32 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 2kot s SER 32 CO -0.26 -0.66 0.06 -0.76 0.98 0.00 0.00 173.24 172.60 2kot s LEU 33 N -1.65 3.56 0.75 2.42 1.02 0.03 -4.52 118.68 120.28 2kot s LEU 33 Ca -0.08 -0.10 -0.15 0.00 0.02 0.00 0.00 54.13 53.82 2kot s LEU 33 Cb -0.01 -1.93 0.05 0.00 0.02 0.00 0.00 46.19 44.32 2kot s LEU 33 CO 0.03 0.05 1.23 -0.24 0.02 0.00 0.00 176.35 177.43 2kot n SER 34 N 4.37 1.38 0.21 2.29 2.88 -1.26 -1.68 113.62 121.80 2kot n SER 34 Ca -0.16 0.68 0.06 0.00 -1.33 0.00 0.00 58.87 58.11 2kot n SER 34 Cb 0.52 -1.52 0.46 0.00 -0.75 0.00 0.00 64.21 62.91 2kot n SER 34 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kot h VAL 35 N -0.38 1.04 0.00 2.46 3.04 -1.95 -2.22 116.25 118.25 2kot h VAL 35 Ca -0.48 -1.05 -0.08 0.00 -1.01 0.00 0.00 66.70 64.08 2kot h VAL 35 Cb 1.31 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2kot h VAL 35 CO 0.48 0.28 -1.62 -3.20 -1.01 0.00 0.00 177.57 172.51 2kot n ASN 36 N -3.96 0.45 0.01 3.17 5.15 -1.26 -4.14 115.26 114.68 2kot n ASN 36 Ca -0.02 0.18 -0.09 0.00 -0.60 0.00 0.00 54.58 54.06 2kot n ASN 36 Cb 0.36 1.00 -0.13 0.00 -0.53 0.00 0.00 39.78 40.47 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 0.01 -0.15 1.20 5.08 -1.92 -3.31 114.58 115.50 2kot h GLU 37 Ca -0.10 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 2kot h GLU 37 Cb 1.28 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kot h GLU 37 CO 0.01 0.68 -0.66 0.27 -1.00 0.00 0.00 179.01 178.31 2kot h PHE 38 N 0.00 0.76 -0.71 4.33 -0.00 -1.61 -2.87 116.94 116.84 2kot h PHE 38 Ca -0.21 -0.31 -0.07 0.00 -0.00 0.00 0.00 57.97 57.39 2kot h PHE 38 Cb 1.94 -0.13 -0.03 0.00 -0.00 0.00 0.00 35.95 37.74 2kot h PHE 38 CO 0.00 1.08 0.18 -0.22 -0.00 0.00 0.00 178.31 179.35 2kot h LYS 39 N 0.42 1.13 0.00 6.09 3.64 -1.72 -2.85 116.57 123.28 2kot h LYS 39 Ca -0.02 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 58.97 2kot h LYS 39 Cb 1.24 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2kot h LYS 39 CO 0.12 1.00 -0.56 0.93 -2.27 0.00 0.00 179.45 178.67 2kot h GLU 40 N 1.07 0.00 -0.40 1.90 5.08 -1.64 -3.03 114.58 117.56 2kot h GLU 40 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2kot h GLU 40 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kot h GLU 40 CO 0.00 0.56 -0.16 1.25 -1.00 0.00 0.00 179.01 179.66 2kot h LEU 41 N 0.00 0.74 -0.75 1.33 5.85 -1.28 -2.81 115.31 118.39 2kot h LEU 41 Ca -0.01 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 2kot h LEU 41 Cb 1.05 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2kot h LEU 41 CO 0.07 0.90 -0.38 0.58 -0.34 0.00 0.00 178.44 179.28 2kot h VAL 42 N 0.66 0.81 -0.73 1.05 2.07 -1.46 -0.65 116.25 118.00 2kot h VAL 42 Ca 0.11 -1.61 -0.31 0.00 0.82 0.00 0.00 66.70 65.70 2kot h VAL 42 Cb 0.64 2.02 -0.19 0.00 -1.52 0.00 0.00 31.29 32.24 2kot h VAL 42 CO 0.04 0.37 0.33 0.41 0.02 0.00 0.00 177.57 178.75 2kot n THR 43 N -3.43 2.93 0.14 2.57 -1.04 -1.08 -2.31 114.28 112.07 2kot n THR 43 Ca 0.00 -2.00 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 2kot n THR 43 Cb 0.55 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 -0.77 0.00 0.00 -2.82 7.27 -1.10 -4.93 117.38 115.03 2kot n GLN 44 Ca 0.46 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.63 2kot n GLN 44 Cb 1.40 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 34.03 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 -3.16 0.69 -2.71 3.69 7.27 -0.98 -4.55 117.38 117.62 2kot n GLN 45 Ca 0.00 -0.56 -0.07 0.00 0.07 0.00 0.00 57.00 56.45 2kot n GLN 45 Cb 0.00 -1.49 0.04 0.00 2.41 0.00 0.00 30.24 31.20 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 -0.67 1.37 0.03 1.69 7.94 -0.29 -4.96 117.00 122.12 2kot n LEU 46 Ca 0.07 -3.53 -0.15 0.00 -1.11 0.00 0.00 56.01 51.29 2kot n LEU 46 Cb 0.41 0.43 -0.14 0.00 0.53 0.00 0.00 43.42 44.65 2kot n LEU 46 CO 0.34 1.44 -0.45 1.55 -1.11 0.00 0.00 177.39 179.16 2kot h PRO 47 N 2.87 0.17 0.00 1.96 0.13 -1.70 -3.37 132.00 132.05 2kot h PRO 47 Ca -0.12 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kot h PRO 47 Cb 1.21 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kot h PRO 47 CO 0.40 0.95 0.00 0.45 -0.23 0.00 0.00 178.00 179.57 2kot h HIS 48 N 0.05 0.00 0.19 1.56 3.86 -1.93 -3.32 115.15 115.56 2kot h HIS 48 Ca -0.28 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2kot h HIS 48 Cb 2.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.48 2kot h HIS 48 CO 0.04 0.00 -0.09 1.25 0.86 0.00 0.00 177.93 179.99 2kot h LEU 49 N 0.00 -0.22 -8.86 2.43 5.85 -1.88 -3.43 115.31 109.20 2kot h LEU 49 Ca 0.00 -0.24 -0.64 0.00 0.84 0.00 0.00 57.88 57.84 2kot h LEU 49 Cb 0.72 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 41.65 2kot h LEU 49 CO 0.00 0.32 -0.20 -0.76 -0.34 0.00 0.00 178.44 177.46 2kot s LEU 50 N -8.91 4.19 0.47 2.25 1.43 -1.25 -4.57 118.68 112.28 2kot s LEU 50 Ca -0.10 0.12 0.16 0.00 -1.03 0.00 0.00 54.13 53.28 2kot s LEU 50 Cb 0.00 -2.45 1.09 0.00 0.03 0.00 0.00 46.19 44.87 2kot s LEU 50 CO 0.35 -0.28 2.03 0.07 0.23 0.00 0.00 176.35 178.75 2kot h LYS 51 N 8.29 0.00 -4.19 1.70 2.10 -1.84 -3.37 116.57 119.27 2kot h LYS 51 Ca -0.30 0.00 -0.76 0.00 -2.00 0.00 0.00 60.65 57.59 2kot h LYS 51 Cb 1.15 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.25 2kot h LYS 51 CO 0.68 0.14 0.17 0.34 -2.00 0.00 0.00 179.45 178.79 2kot s ASP 52 N -6.94 6.57 -0.21 7.07 2.15 -1.26 -4.85 116.67 119.20 2kot s ASP 52 Ca -0.04 -2.27 0.05 0.00 0.43 0.00 0.00 52.55 50.72 2kot s ASP 52 Cb 0.16 -2.25 -0.21 0.00 -0.30 0.00 0.00 42.92 40.32 2kot s ASP 52 CO 0.68 -0.77 -0.00 1.33 -0.17 0.00 0.00 175.17 176.24 2kot n VAL 53 N 4.64 1.52 -0.02 1.11 0.24 -1.26 -4.64 118.33 119.92 2kot n VAL 53 Ca 0.08 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.34 61.59 2kot n VAL 53 Cb 0.46 -1.22 -0.10 0.00 -1.47 0.00 0.00 33.84 31.51 2kot n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2kot h GLY 54 N 2.44 -0.05 -7.17 7.63 0.00 -1.96 -3.38 103.07 100.57 2kot h GLY 54 Ca -0.53 0.02 -0.74 0.00 0.00 0.00 0.00 47.33 46.09 2kot h GLY 54 CO -0.02 -0.02 1.80 -1.26 0.00 0.00 0.00 176.54 177.04 2kot n SER 55 N -4.76 5.06 -0.52 0.19 2.88 -1.26 -4.74 113.62 110.47 2kot n SER 55 Ca -0.08 -3.01 0.13 0.00 -1.33 0.00 0.00 58.87 54.58 2kot n SER 55 Cb 0.34 -1.56 0.48 0.00 -0.75 0.00 0.00 64.21 62.72 2kot n SER 55 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kot n LEU 56 N 5.32 1.61 0.22 2.46 -0.00 -1.26 -4.25 117.00 121.09 2kot n LEU 56 Ca 0.40 -0.56 0.07 0.00 -0.00 0.00 0.00 56.01 55.92 2kot n LEU 56 Cb 0.40 -0.02 0.49 0.00 -0.00 0.00 0.00 43.42 44.30 2kot n LEU 56 CO 0.73 0.28 0.82 -2.24 -0.00 0.00 0.00 177.39 176.97 2kot h ASP 57 N 2.46 0.00 -0.44 1.96 2.03 -1.96 -0.58 116.42 119.88 2kot h ASP 57 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 2kot h ASP 57 Cb 0.52 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.01 2kot h ASP 57 CO 0.00 0.27 0.03 -0.08 -1.03 0.00 0.00 179.24 178.43 2kot h GLU 58 N 0.00 0.76 0.05 4.15 4.81 -2.00 -2.74 114.58 119.61 2kot h GLU 58 Ca -0.00 -0.23 -0.29 0.00 -0.13 0.00 0.00 59.36 58.71 2kot h GLU 58 Cb 0.56 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2kot h GLU 58 CO 0.03 0.81 -1.57 0.87 -0.73 0.00 0.00 179.01 178.43 2kot h LYS 59 N 0.61 0.11 -1.00 1.92 6.56 -1.84 -3.35 116.57 119.58 2kot h LYS 59 Ca 0.13 -0.19 0.04 0.00 -1.06 0.00 0.00 60.65 59.57 2kot h LYS 59 Cb 0.45 0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.12 2kot h LYS 59 CO 0.02 0.86 0.66 1.98 -2.06 0.00 0.00 179.45 180.90 2kot h MET 60 N 0.03 1.22 -0.30 3.15 4.05 -1.13 -1.77 114.93 120.17 2kot h MET 60 Ca -0.24 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.00 2kot h MET 60 Cb 1.98 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 32.49 2kot h MET 60 CO 0.11 0.81 -0.25 0.87 0.23 0.00 0.00 176.91 178.68 2kot h LYS 61 N 1.26 0.59 -0.30 0.39 1.79 -1.64 -2.01 116.57 116.65 2kot h LYS 61 Ca 0.40 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 58.53 2kot h LYS 61 Cb 0.02 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2kot h LYS 61 CO -0.13 0.79 -0.26 0.77 -1.08 0.00 0.00 179.45 179.54 2kot h SER 62 N 0.52 0.60 0.20 0.86 0.02 -1.55 -3.28 113.55 110.93 2kot h SER 62 Ca 0.07 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2kot h SER 62 Cb 0.70 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kot h SER 62 CO 0.05 0.85 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.43 2kot h LEU 63 N 0.52 -0.23 -7.46 5.07 3.38 -1.19 -3.37 115.31 112.04 2kot h LEU 63 Ca 0.07 -0.30 -0.69 0.00 0.09 0.00 0.00 57.88 57.05 2kot h LEU 63 Cb 0.73 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2kot h LEU 63 CO 0.06 0.24 2.36 -0.67 0.09 0.00 0.00 178.44 180.52 2kot n ASP 64 N -5.00 4.73 -0.02 -0.43 2.03 -0.77 -4.57 116.55 112.53 2kot n ASP 64 Ca -0.09 -2.91 -0.16 0.00 0.52 0.00 0.00 54.79 52.16 2kot n ASP 64 Cb 0.26 -1.72 -0.14 0.00 -0.72 0.00 0.00 41.12 38.80 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 6.02 1.69 0.26 5.18 3.14 -1.26 -4.20 118.33 129.17 2kot n VAL 65 Ca 0.49 -0.71 0.13 0.00 -2.96 0.00 0.00 64.34 61.29 2kot n VAL 65 Cb 0.44 -1.41 0.27 0.00 -1.06 0.00 0.00 33.84 32.08 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 0.04 0.00 -4.61 6.55 -1.24 -1.95 -3.48 115.58 110.88 2kot h ASN 66 Ca -0.39 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.44 2kot h ASN 66 Cb 2.03 0.00 0.13 0.00 0.73 0.00 0.00 38.32 41.21 2kot h ASN 66 CO 0.07 0.00 -0.57 0.00 -1.29 0.00 0.00 177.43 175.65 2kot n GLN 67 N -3.03 -2.43 -0.07 6.67 6.02 -1.26 -4.99 117.38 118.29 2kot n GLN 67 Ca 0.04 0.59 0.09 0.00 -0.01 0.00 0.00 57.00 57.70 2kot n GLN 67 Cb 0.49 -4.55 0.13 0.00 1.02 0.00 0.00 30.24 27.32 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 -2.61 2.28 0.00 1.08 -0.08 -1.26 -5.04 116.55 110.93 2kot n ASP 68 Ca -0.09 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.21 2kot n ASP 68 Cb 0.59 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.66 2kot n ASP 68 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kot n SER 69 N -1.33 0.00 -4.73 1.67 2.88 -1.26 -4.88 113.62 105.97 2kot n SER 69 Ca 0.14 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.27 2kot n SER 69 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 2kot n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kot s GLU 70 N 0.00 4.47 -0.79 -1.46 8.01 -1.26 -4.24 118.70 123.43 2kot s GLU 70 Ca 0.00 1.87 -0.21 0.00 0.01 0.00 0.00 54.97 56.64 2kot s GLU 70 Cb 0.00 -3.26 0.10 0.00 -4.31 0.00 0.00 34.13 26.66 2kot s GLU 70 CO 0.00 -0.14 1.04 -0.51 0.01 0.00 0.00 175.26 175.66 2kot s LEU 71 N 0.10 4.72 0.78 1.80 1.02 -0.68 -4.96 118.68 121.46 2kot s LEU 71 Ca 0.55 -1.52 -0.12 0.00 0.02 0.00 0.00 54.13 53.06 2kot s LEU 71 Cb -0.32 -2.41 0.07 0.00 0.02 0.00 0.00 46.19 43.55 2kot s LEU 71 CO 0.35 -1.25 1.12 -0.75 0.02 0.00 0.00 176.35 175.84 2kot s LYS 72 N 3.38 2.03 0.55 1.70 2.20 -1.26 -0.79 119.74 127.56 2kot s LYS 72 Ca 0.27 1.38 0.24 0.00 -0.36 0.00 0.00 55.97 57.50 2kot s LYS 72 Cb -0.11 -1.86 1.50 0.00 -1.51 0.00 0.00 37.83 35.85 2kot s LYS 72 CO 0.00 -1.84 2.12 0.35 -0.36 0.00 0.00 175.35 175.62 2kot h PHE 73 N -1.00 0.00 -0.18 4.03 3.04 -1.93 0.63 116.94 121.53 2kot h PHE 73 Ca -0.44 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.38 2kot h PHE 73 Cb 1.25 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 2kot h PHE 73 CO 0.54 0.00 -0.43 -0.97 -2.02 0.00 0.00 178.31 175.43 2kot h ASN 74 N 0.00 0.45 0.47 0.41 -0.73 -1.91 -2.11 115.58 112.16 2kot h ASN 74 Ca 0.08 -0.20 -0.30 0.00 1.87 0.00 0.00 56.30 57.74 2kot h ASN 74 Cb 0.37 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.83 2kot h ASN 74 CO -0.00 0.83 -1.47 -0.33 -0.37 0.00 0.00 177.43 176.09 2kot h GLU 75 N 0.35 0.29 0.00 6.67 3.07 -1.21 -3.31 114.58 120.43 2kot h GLU 75 Ca 0.03 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2kot h GLU 75 Cb 0.91 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2kot h GLU 75 CO 0.08 1.18 0.00 0.98 -1.40 0.00 0.00 179.01 179.84 2kot n TYR 76 N -3.50 0.55 0.20 4.33 9.36 0.20 -3.42 117.16 124.89 2kot n TYR 76 Ca -0.15 0.22 0.18 0.00 3.32 0.00 0.00 57.90 61.47 2kot n TYR 76 Cb 1.05 -0.85 0.83 0.00 -0.63 0.00 0.00 39.34 39.73 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 -1.47 -1.05 115.95 123.42 2kot h TRP 77 Ca 0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2kot h TRP 77 Cb 0.32 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 2kot h TRP 77 CO 0.00 0.00 -0.37 0.00 -2.79 0.00 0.00 178.44 175.28 2kot h ARG 78 N 0.00 0.00 0.02 2.65 2.47 -1.84 -3.04 114.38 114.65 2kot h ARG 78 Ca 0.10 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.48 2kot h ARG 78 Cb 0.69 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.96 2kot h ARG 78 CO -0.00 0.37 -2.03 -0.11 0.56 0.00 0.00 179.97 178.76 2kot n LEU 79 N -3.64 1.10 -0.30 3.04 7.94 -0.45 -3.71 117.00 120.98 2kot n LEU 79 Ca -0.01 0.21 0.05 0.00 -1.11 0.00 0.00 56.01 55.15 2kot n LEU 79 Cb 0.47 -0.04 0.26 0.00 0.53 0.00 0.00 43.42 44.64 2kot n LEU 79 CO 0.37 0.55 1.24 0.40 -1.11 0.00 0.00 177.39 178.84 2kot h ILE 80 N 0.01 1.04 -0.41 1.96 1.08 -1.42 0.20 117.51 119.97 2kot h ILE 80 Ca -0.41 -0.34 -0.14 0.00 -0.39 0.00 0.00 64.86 63.57 2kot h ILE 80 Cb 2.07 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 2kot h ILE 80 CO 0.05 0.18 -0.31 1.23 -0.69 0.00 0.00 178.15 178.61 2kot h GLY 81 N 0.99 1.01 1.63 5.37 0.00 -1.69 -2.87 103.07 107.50 2kot h GLY 81 Ca 0.40 -0.98 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 2kot h GLY 81 CO -0.16 0.89 -0.12 0.83 0.00 0.00 0.00 176.54 177.98 2kot h GLU 82 N 0.75 0.45 -0.47 4.80 4.39 -1.38 0.36 114.58 123.49 2kot h GLU 82 Ca 0.08 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2kot h GLU 82 Cb 0.90 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2kot h GLU 82 CO 0.08 0.58 0.09 -0.07 -1.16 0.00 0.00 179.01 178.53 2kot h LEU 83 N 0.42 0.73 -0.40 1.33 4.07 -0.59 0.54 115.31 121.41 2kot h LEU 83 Ca 0.08 -0.25 -0.17 0.00 0.08 0.00 0.00 57.88 57.62 2kot h LEU 83 Cb 0.47 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2kot h LEU 83 CO 0.03 0.79 -0.80 0.00 -1.08 0.00 0.00 178.44 177.37 2kot h ALA 84 N 0.96 0.66 0.14 1.53 0.00 -1.32 -3.34 119.26 117.89 2kot h ALA 84 Ca 0.14 -0.71 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 2kot h ALA 84 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kot h ALA 84 CO 0.01 0.94 -1.52 -0.22 0.00 0.00 0.00 179.25 178.46 2kot h LYS 85 N 0.05 0.30 -1.23 0.00 3.64 -0.86 -3.36 116.57 115.10 2kot h LYS 85 Ca -0.02 -0.51 -0.24 0.00 -1.27 0.00 0.00 60.65 58.61 2kot h LYS 85 Cb 1.41 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 33.29 2kot h LYS 85 CO 0.11 1.18 0.31 0.39 -2.27 0.00 0.00 179.45 179.18 2kot n GLU 86 N -3.50 1.59 -0.10 1.90 -0.58 0.17 -3.96 120.64 116.16 2kot n GLU 86 Ca -0.16 -1.30 -0.13 0.00 -0.42 0.00 0.00 57.16 55.14 2kot n GLU 86 Cb 1.05 -1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 30.29 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 0.08 1.27 -0.03 -3.67 0.00 -1.26 -4.51 119.36 111.24 2kot n ILE 87 Ca 0.26 -0.59 -0.04 0.00 0.00 0.00 0.00 62.75 62.37 2kot n ILE 87 Cb 0.82 -1.02 -0.04 0.00 0.00 0.00 0.00 39.64 39.41 2kot n ILE 87 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2kot n ARG 88 N -2.98 0.81 -2.34 9.51 0.00 -1.26 -4.80 116.66 115.61 2kot n ARG 88 Ca -0.36 0.03 -0.27 0.00 -0.00 0.00 0.00 57.85 57.26 2kot n ARG 88 Cb 0.98 -1.14 0.01 0.00 -0.00 0.00 0.00 32.46 32.30 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 3.46 -0.03 2.89 2.85 -1.25 -4.80 118.16 118.68 2kot n LYS 89 Ca -0.12 -4.39 -0.07 0.00 -1.05 0.00 0.00 58.31 52.68 2kot n LYS 89 Cb 0.65 -2.26 0.11 0.00 -0.65 0.00 0.00 35.03 32.88 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 2.48 0.62 -1.45 -1.58 2.10 -1.79 -3.29 116.57 113.66 2kot h LYS 90 Ca 0.33 -0.28 -0.51 0.00 -2.00 0.00 0.00 60.65 58.18 2kot h LYS 90 Cb 1.06 -0.01 -0.41 0.00 -0.90 0.00 0.00 32.23 31.97 2kot h LYS 90 CO 0.85 0.87 -0.90 1.63 -2.00 0.00 0.00 179.45 179.90 2kot n LYS 91 N -4.07 2.55 -0.32 0.07 5.02 -1.26 -4.95 118.16 115.20 2kot n LYS 91 Ca -0.01 -4.08 0.28 0.00 -2.02 0.00 0.00 58.31 52.48 2kot n LYS 91 Cb 0.48 -1.90 0.62 0.00 -0.02 0.00 0.00 35.03 34.21 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 2.77 0.24 0.14 4.39 3.04 -1.66 0.15 116.42 125.50 2kot h ASP 92 Ca 0.15 0.05 -0.30 0.00 -3.24 0.00 0.00 57.03 53.69 2kot h ASP 92 Cb 0.97 0.01 0.03 0.00 -1.04 0.00 0.00 39.33 39.30 2kot h ASP 92 CO 0.72 0.04 -1.24 0.25 -2.04 0.00 0.00 179.24 176.96 2kot h LEU 93 N 0.21 0.85 0.00 0.15 5.85 -1.92 -3.41 115.31 117.03 2kot h LEU 93 Ca 0.58 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2kot h LEU 93 Cb 1.84 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2kot h LEU 93 CO -0.17 1.61 -0.02 0.50 -0.34 0.00 0.00 178.44 180.02 2kot h LYS 94 N 0.20 0.00 -5.28 1.25 1.63 -1.64 -3.47 116.57 109.27 2kot h LYS 94 Ca -0.20 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 58.96 2kot h LYS 94 Cb 1.93 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 33.23 2kot h LYS 94 CO 0.24 0.00 -0.87 0.96 -3.45 0.00 0.00 179.45 176.33 2kot s ILE 95 N -1.24 1.88 -0.30 2.00 -4.36 0.40 -5.05 121.20 114.53 2kot s ILE 95 Ca -0.01 -0.92 0.15 0.00 -0.26 0.00 0.00 60.65 59.61 2kot s ILE 95 Cb 0.00 -1.63 0.48 0.00 1.25 0.00 0.00 42.46 42.56 2kot s ILE 95 CO 0.01 0.52 1.12 -2.11 0.24 0.00 0.00 174.94 174.72 2kot n ARG 96 N 3.49 2.51 -3.22 0.37 1.85 -1.26 -3.79 116.66 116.60 2kot n ARG 96 Ca -0.19 -3.82 -0.02 0.00 -1.00 0.00 0.00 57.85 52.81 2kot n ARG 96 Cb 0.53 -1.87 -0.03 0.00 -1.05 0.00 0.00 32.46 30.04 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 -3.62 0.49 0.00 2.89 -2.85 -1.26 -5.13 119.74 110.26 2kot s LYS 97 Ca 0.38 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.72 2kot s LYS 97 Cb 0.38 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 2kot s LYS 97 CO -0.02 -1.02 0.00 1.17 0.10 0.00 0.00 175.35 175.58