#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kay n GLU 2 N 0.00 0.00 -4.70 0.03 4.71 -1.26 -5.16 120.64 114.26 2kay n GLU 2 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 2kay n GLU 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 2kay n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kay s THR 3 N 1.42 1.51 0.20 2.62 -4.23 -1.26 -5.03 115.64 110.87 2kay s THR 3 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2kay s THR 3 Cb 0.00 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.24 2kay s THR 3 CO 0.00 0.00 1.51 1.55 -0.54 0.00 0.00 174.62 177.14 2kay h PRO 4 N 1.54 0.00 0.05 3.99 0.13 -2.02 -3.35 132.00 132.35 2kay h PRO 4 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kay h PRO 4 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kay h PRO 4 CO 0.77 0.72 -0.03 1.25 -0.23 0.00 0.00 178.00 180.48 2kay h LEU 5 N 0.00 -0.06 -1.04 1.56 5.85 -1.98 -2.45 115.31 117.18 2kay h LEU 5 Ca -0.01 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.10 2kay h LEU 5 Cb 1.31 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2kay h LEU 5 CO 0.09 0.65 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.14 2kay h GLU 6 N -0.93 0.00 -0.88 1.25 3.07 -1.99 0.16 114.58 115.26 2kay h GLU 6 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2kay h GLU 6 Cb 0.59 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 2kay h GLU 6 CO 0.01 0.38 0.55 -0.22 -1.40 0.00 0.00 179.01 178.33 2kay h LYS 7 N 0.00 1.18 -0.01 2.33 3.64 -1.69 0.79 116.57 122.81 2kay h LYS 7 Ca -0.00 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2kay h LYS 7 Cb 0.84 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2kay h LYS 7 CO 0.05 0.81 -0.77 0.00 -2.27 0.00 0.00 179.45 177.27 2kay h ALA 8 N 1.30 0.70 -0.45 5.00 0.00 -0.41 -0.54 119.26 124.86 2kay h ALA 8 Ca 0.32 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2kay h ALA 8 Cb -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kay h ALA 8 CO -0.06 0.91 -0.01 -0.07 0.00 0.00 0.00 179.25 180.01 2kay h LEU 9 N 0.05 0.79 -0.65 0.00 3.38 -0.66 0.13 115.31 118.34 2kay h LEU 9 Ca -0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kay h LEU 9 Cb 1.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2kay h LEU 9 CO 0.11 0.91 0.42 0.74 0.09 0.00 0.00 178.44 180.71 2kay h THR 10 N 0.65 1.18 -0.80 0.22 2.02 -0.77 -0.36 112.91 115.04 2kay h THR 10 Ca 0.13 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2kay h THR 10 Cb 0.52 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2kay h THR 10 CO 0.03 0.18 0.47 0.74 0.37 0.00 0.00 175.52 177.31 2kay h THR 11 N 0.89 1.22 -0.01 3.16 2.02 -0.98 -1.58 112.91 117.63 2kay h THR 11 Ca 0.24 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2kay h THR 11 Cb -0.07 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2kay h THR 11 CO -0.05 0.24 0.01 -0.03 0.37 0.00 0.00 175.52 176.06 2kay h MET 12 N 1.10 0.02 0.00 6.66 -1.53 0.19 -1.34 114.93 120.03 2kay h MET 12 Ca 0.29 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.53 2kay h MET 12 Cb -0.03 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.01 2kay h MET 12 CO -0.05 0.16 -0.08 -0.39 0.14 0.00 0.00 176.91 176.69 2kay h VAL 13 N -0.12 0.29 0.30 -5.77 -1.51 -0.93 0.02 116.25 108.54 2kay h VAL 13 Ca 0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 2kay h VAL 13 Cb 0.14 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2kay h VAL 13 CO -0.00 0.07 -0.14 0.74 -1.23 0.00 0.00 177.57 177.01 2kay h THR 14 N 0.00 0.69 -0.90 7.19 2.02 -0.93 -1.94 112.91 119.04 2kay h THR 14 Ca -0.00 -0.66 0.17 0.00 0.77 0.00 0.00 66.41 66.69 2kay h THR 14 Cb 0.38 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 2kay h THR 14 CO 0.01 0.12 0.58 0.71 0.37 0.00 0.00 175.52 177.32 2kay h THR 15 N -0.79 0.76 -0.38 3.16 1.35 -1.03 -0.47 112.91 115.51 2kay h THR 15 Ca -0.04 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 2kay h THR 15 Cb 0.51 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 2kay h THR 15 CO 0.07 0.11 0.10 0.15 -0.25 0.00 0.00 175.52 175.69 2kay h PHE 16 N 0.58 0.63 -0.03 4.73 3.57 -0.74 -1.20 116.94 124.48 2kay h PHE 16 Ca 0.47 -0.07 -0.23 0.00 3.53 0.00 0.00 57.97 61.67 2kay h PHE 16 Cb 0.91 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.48 2kay h PHE 16 CO -0.00 0.61 -0.92 0.45 -2.23 0.00 0.00 178.31 176.22 2kay h HIS 17 N 0.47 0.78 0.00 0.41 3.86 -1.08 0.35 115.15 119.93 2kay h HIS 17 Ca 0.12 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2kay h HIS 17 Cb 0.29 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2kay h HIS 17 CO 0.01 1.22 0.03 -0.22 0.86 0.00 0.00 177.93 179.83 2kay h LYS 18 N 0.32 0.00 0.00 2.45 3.11 -0.84 -0.52 116.57 121.10 2kay h LYS 18 Ca -0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2kay h LYS 18 Cb 1.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.78 2kay h LYS 18 CO 0.17 0.00 -0.92 0.66 -2.81 0.00 0.00 179.45 176.55 2kay n TYR 19 N -2.42 0.00 0.23 1.91 4.01 -0.47 -4.58 117.16 115.83 2kay n TYR 19 Ca -0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.83 2kay n TYR 19 Cb 0.07 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.57 2kay n TYR 19 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kay h SER 20 N 0.00 0.00 -0.02 7.72 0.87 -0.03 -1.78 113.55 120.31 2kay h SER 20 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kay h SER 20 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2kay h SER 20 CO 0.00 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.12 2kay n GLY 21 N 0.15 -0.60 0.30 5.77 0.00 -0.23 -4.17 105.19 106.41 2kay n GLY 21 Ca 0.00 -0.28 0.17 0.00 0.00 0.00 0.00 46.02 45.91 2kay n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kay h ARG 22 N 0.89 0.00 -1.80 1.61 9.65 -1.54 -3.43 114.38 119.77 2kay h ARG 22 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2kay h ARG 22 Cb 0.19 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.56 2kay h ARG 22 CO 0.00 0.04 0.34 -2.00 2.80 0.00 0.00 179.97 181.16 2kay s GLU 23 N -4.22 0.82 1.34 0.20 2.56 -1.26 -4.94 118.70 113.20 2kay s GLU 23 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.22 2kay s GLU 23 Cb 0.13 0.39 0.00 0.00 2.00 0.00 0.00 34.13 36.65 2kay s GLU 23 CO 0.52 -0.24 0.00 0.41 -0.56 0.00 0.00 175.26 175.39 2kay n GLY 24 N 1.05 2.65 3.50 -1.50 0.00 -1.26 -4.68 105.19 104.96 2kay n GLY 24 Ca -0.15 0.10 -0.48 0.00 0.00 0.00 0.00 46.02 45.49 2kay n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kay n SER 25 N 2.19 0.18 -0.00 1.61 7.64 -1.26 -4.84 113.62 119.13 2kay n SER 25 Ca 0.00 1.15 0.05 0.00 1.01 0.00 0.00 58.87 61.08 2kay n SER 25 Cb 0.00 -1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2kay n SER 25 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kay n LYS 26 N 1.15 3.14 -0.00 1.43 5.02 -1.26 -4.21 118.16 123.43 2kay n LYS 26 Ca 0.15 -0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 2kay n LYS 26 Cb 0.25 -1.02 0.27 0.00 -0.02 0.00 0.00 35.03 34.52 2kay n LYS 26 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kay n LEU 27 N -1.34 2.39 -3.97 -0.35 7.94 -1.26 -4.76 117.00 115.65 2kay n LEU 27 Ca 0.01 -0.80 -0.09 0.00 -1.11 0.00 0.00 56.01 54.03 2kay n LEU 27 Cb 0.17 -0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.03 2kay n LEU 27 CO 0.21 0.40 -0.26 0.42 -1.11 0.00 0.00 177.39 177.05 2kay s THR 28 N -2.00 0.16 -0.38 1.96 -4.23 -1.26 -3.27 115.64 106.62 2kay s THR 28 Ca 0.32 -1.29 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 2kay s THR 28 Cb 0.20 -1.06 0.08 0.00 1.34 0.00 0.00 72.50 73.07 2kay s THR 28 CO 0.31 -0.71 0.16 -0.76 -0.54 0.00 0.00 174.62 173.09 2kay s LEU 29 N -2.36 4.83 0.64 4.79 1.43 -0.33 -4.51 118.68 123.17 2kay s LEU 29 Ca -0.02 -1.63 -0.17 0.00 -1.03 0.00 0.00 54.13 51.29 2kay s LEU 29 Cb 0.01 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2kay s LEU 29 CO -0.06 -0.46 1.17 -0.55 0.23 0.00 0.00 176.35 176.68 2kay s SER 30 N 1.74 4.97 0.56 2.29 0.15 -1.26 -0.68 113.70 121.46 2kay s SER 30 Ca 0.03 2.25 0.46 0.00 0.70 0.00 0.00 55.95 59.39 2kay s SER 30 Cb -0.22 -2.58 1.67 0.00 -1.71 0.00 0.00 66.02 63.18 2kay s SER 30 CO -0.01 -1.73 1.64 -0.09 1.20 0.00 0.00 173.24 174.24 2kay h ARG 31 N 0.39 0.00 0.07 5.44 2.43 -1.80 0.35 114.38 121.26 2kay h ARG 31 Ca -0.49 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.41 2kay h ARG 31 Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2kay h ARG 31 CO 0.54 0.00 -1.37 0.87 -1.51 0.00 0.00 179.97 178.50 2kay h LYS 32 N 0.00 0.15 -0.64 0.20 6.56 -1.90 -2.92 116.57 118.01 2kay h LYS 32 Ca 0.82 -0.25 -0.00 0.00 -1.06 0.00 0.00 60.65 60.16 2kay h LYS 32 Cb 3.32 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 35.04 2kay h LYS 32 CO -0.01 1.00 0.39 0.93 -2.06 0.00 0.00 179.45 179.70 2kay h GLU 33 N 0.04 0.87 -0.28 3.15 5.08 -0.72 -3.27 114.58 119.45 2kay h GLU 33 Ca -0.17 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 2kay h GLU 33 Cb 1.94 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2kay h GLU 33 CO 0.15 0.62 -0.04 1.25 -1.00 0.00 0.00 179.01 179.99 2kay h LEU 34 N 0.87 0.51 -0.63 1.33 5.85 -1.23 -1.88 115.31 120.14 2kay h LEU 34 Ca 0.23 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 58.73 2kay h LEU 34 Cb -0.03 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 2kay h LEU 34 CO -0.04 0.73 0.08 0.50 -0.34 0.00 0.00 178.44 179.37 2kay h LYS 35 N 0.28 0.19 -0.13 1.25 3.64 -1.59 -2.57 116.57 117.64 2kay h LYS 35 Ca 0.07 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2kay h LYS 35 Cb 0.50 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2kay h LYS 35 CO 0.02 0.12 -0.20 1.49 -2.27 0.00 0.00 179.45 178.61 2kay h GLU 36 N 0.19 0.36 -0.00 1.90 4.81 -1.56 -3.14 114.58 117.14 2kay h GLU 36 Ca 0.33 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2kay h GLU 36 Cb 0.53 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 2kay h GLU 36 CO -0.48 0.80 -0.19 1.25 -0.73 0.00 0.00 179.01 179.67 2kay h LEU 37 N -0.04 -0.55 0.24 1.64 5.85 -1.17 -0.70 115.31 120.59 2kay h LEU 37 Ca 0.01 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2kay h LEU 37 Cb 0.77 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2kay h LEU 37 CO 0.05 -0.25 -0.41 0.40 -0.34 0.00 0.00 178.44 177.88 2kay h ILE 38 N -0.30 0.17 0.00 4.05 2.04 -1.56 -1.24 117.51 120.67 2kay h ILE 38 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2kay h ILE 38 Cb 0.38 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2kay h ILE 38 CO -0.18 0.00 0.00 0.07 0.00 0.00 0.00 178.15 178.04 2kay h LYS 39 N -0.73 0.00 0.05 2.37 5.09 -1.47 -2.20 116.57 119.67 2kay h LYS 39 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.63 2kay h LYS 39 Cb 0.70 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.03 2kay h LYS 39 CO -0.16 0.00 -0.53 0.87 -2.09 0.00 0.00 179.45 177.54 2kay h LYS 40 N 0.00 0.10 -0.60 0.07 1.79 -0.87 -3.40 116.57 113.67 2kay h LYS 40 Ca 0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2kay h LYS 40 Cb 0.63 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2kay h LYS 40 CO 0.00 1.08 0.00 0.39 -1.08 0.00 0.00 179.45 179.84 2kay n GLU 41 N -4.39 3.71 -3.55 3.15 -0.58 -0.49 -4.82 120.64 113.67 2kay n GLU 41 Ca -0.16 -2.86 -0.01 0.00 -0.42 0.00 0.00 57.16 53.72 2kay n GLU 41 Cb 0.64 -1.88 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 2kay n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kay s LEU 42 N -1.94 -0.84 -0.04 -4.62 1.98 -0.83 -5.02 118.68 107.38 2kay s LEU 42 Ca 0.49 1.19 -0.23 0.00 -2.89 0.00 0.00 54.13 52.69 2kay s LEU 42 Cb 0.32 2.01 -0.17 0.00 0.66 0.00 0.00 46.19 49.01 2kay s LEU 42 CO 0.22 -0.17 1.00 0.00 -1.89 0.00 0.00 176.35 175.51 2kay n LEU 44 N -4.95 0.00 0.00 0.00 7.99 -1.26 -0.67 117.00 118.12 2kay n LEU 44 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2kay n LEU 44 Cb 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2kay n LEU 44 CO 0.28 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.77 2kay n GLY 45 N 0.00 0.00 1.41 -0.72 0.00 -1.26 -5.07 105.19 99.56 2kay n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kay n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kay n GLU 46 N 0.00 -3.98 -3.12 1.61 4.07 0.16 -4.98 120.64 114.39 2kay n GLU 46 Ca 0.00 2.90 -0.39 0.00 -0.06 0.00 0.00 57.16 59.61 2kay n GLU 46 Cb 0.00 -3.21 -0.05 0.00 -0.06 0.00 0.00 31.44 28.12 2kay n GLU 46 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 2kay s MET 47 N -3.00 4.39 0.25 5.31 -1.94 -1.26 -5.08 119.30 117.96 2kay s MET 47 Ca 0.00 0.74 0.09 0.00 -1.71 0.00 0.00 55.69 54.81 2kay s MET 47 Cb 0.00 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2kay s MET 47 CO 0.00 0.06 -0.01 0.15 -0.01 0.00 0.00 175.02 175.21 2kay s LYS 48 N 0.88 2.29 0.27 2.03 3.01 -1.26 -5.00 119.74 121.96 2kay s LYS 48 Ca 0.34 -1.38 -0.02 0.00 -1.01 0.00 0.00 55.97 53.89 2kay s LYS 48 Cb -0.17 -2.18 0.59 0.00 -1.01 0.00 0.00 37.83 35.06 2kay s LYS 48 CO 0.15 0.38 1.63 0.93 0.51 0.00 0.00 175.35 178.95 2kay h GLU 49 N 2.02 0.13 0.00 1.68 4.39 -2.00 -0.01 114.58 120.79 2kay h GLU 49 Ca -0.45 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2kay h GLU 49 Cb 1.24 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2kay h GLU 49 CO 0.60 0.08 0.00 0.45 -1.16 0.00 0.00 179.01 178.98 2kay n SER 50 N -5.32 0.00 -0.00 1.42 2.88 -1.26 -1.43 113.62 109.91 2kay n SER 50 Ca 0.18 0.34 0.02 0.00 -1.33 0.00 0.00 58.87 58.09 2kay n SER 50 Cb 0.59 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.66 2kay n SER 50 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kay n SER 51 N -1.36 1.00 0.01 -3.46 7.64 -0.03 -4.74 113.62 112.67 2kay n SER 51 Ca 0.01 -0.48 -0.21 0.00 1.01 0.00 0.00 58.87 59.20 2kay n SER 51 Cb 0.02 1.05 -0.14 0.00 -1.01 0.00 0.00 64.21 64.13 2kay n SER 51 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2kay h ILE 52 N 0.00 1.19 0.00 0.44 2.04 -1.15 -1.50 117.51 118.53 2kay h ILE 52 Ca 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2kay h ILE 52 Cb 0.14 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2kay h ILE 52 CO 0.00 0.67 0.00 -0.67 0.00 0.00 0.00 178.15 178.15 2kay n ASP 53 N -4.05 0.42 -0.01 1.72 2.03 -1.22 -0.81 116.55 114.63 2kay n ASP 53 Ca -0.22 0.57 -0.06 0.00 0.52 0.00 0.00 54.79 55.60 2kay n ASP 53 Cb 0.84 -0.67 -0.13 0.00 -0.72 0.00 0.00 41.12 40.44 2kay n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kay n ASP 54 N -1.93 0.80 -0.12 1.67 2.03 -1.24 -1.98 116.55 115.78 2kay n ASP 54 Ca 0.04 0.37 -0.06 0.00 0.52 0.00 0.00 54.79 55.67 2kay n ASP 54 Cb 0.30 0.09 0.02 0.00 -0.72 0.00 0.00 41.12 40.81 2kay n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kay h LEU 55 N 0.00 0.18 -0.26 -2.67 -0.00 -1.05 0.45 115.31 111.95 2kay h LEU 55 Ca -0.27 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.69 2kay h LEU 55 Cb 1.90 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 42.54 2kay h LEU 55 CO 0.07 0.14 0.02 -0.03 -0.00 0.00 0.00 178.44 178.64 2kay h MET 56 N 0.32 0.10 -0.92 1.13 4.05 -1.02 0.61 114.93 119.20 2kay h MET 56 Ca 0.17 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2kay h MET 56 Cb 0.13 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 2kay h MET 56 CO -0.16 0.07 0.61 0.87 0.23 0.00 0.00 176.91 178.52 2kay h LYS 57 N 0.11 1.21 0.00 0.39 1.57 -1.25 0.13 116.57 118.72 2kay h LYS 57 Ca 0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2kay h LYS 57 Cb 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2kay h LYS 57 CO -0.19 0.80 -0.18 0.77 -0.57 0.00 0.00 179.45 180.08 2kay h SER 58 N 1.25 0.00 0.16 0.86 0.02 -0.08 -3.14 113.55 112.61 2kay h SER 58 Ca 0.34 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.95 2kay h SER 58 Cb -0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2kay h SER 58 CO -0.07 0.18 -1.74 -0.07 -1.14 0.00 0.00 176.83 173.99 2kay h LEU 59 N 0.00 0.52 -5.91 5.07 -0.00 -0.19 -3.45 115.31 111.35 2kay h LEU 59 Ca -0.00 -0.92 -0.74 0.00 -0.00 0.00 0.00 57.88 56.21 2kay h LEU 59 Cb 0.51 -0.17 -0.12 0.00 -0.00 0.00 0.00 40.66 40.88 2kay h LEU 59 CO 0.02 1.77 2.41 -0.67 -0.00 0.00 0.00 178.44 181.98 2kay n ASP 60 N -3.64 6.81 -0.28 -0.43 2.03 0.38 -4.55 116.55 116.86 2kay n ASP 60 Ca -0.27 -3.07 0.09 0.00 0.52 0.00 0.00 54.79 52.07 2kay n ASP 60 Cb 1.03 -1.43 0.24 0.00 -0.72 0.00 0.00 41.12 40.24 2kay n ASP 60 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kay h LYS 61 N 5.12 0.26 -0.05 -0.67 1.79 -1.88 -1.29 116.57 119.86 2kay h LYS 61 Ca 0.59 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2kay h LYS 61 Cb 0.44 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2kay h LYS 61 CO 1.58 0.17 0.00 0.27 -1.08 0.00 0.00 179.45 180.39 2kay n ASN 62 N -5.17 0.66 -2.85 0.86 6.94 -1.26 -4.98 115.26 109.47 2kay n ASN 62 Ca 0.18 -1.44 -0.08 0.00 -0.02 0.00 0.00 54.58 53.23 2kay n ASN 62 Cb 0.57 -0.03 0.01 0.00 -2.36 0.00 0.00 39.78 37.97 2kay n ASN 62 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2kay n SER 63 N -0.39 -7.92 0.00 0.53 7.64 -0.49 -5.01 113.62 107.98 2kay n SER 63 Ca 0.17 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.57 2kay n SER 63 Cb 0.18 -5.38 0.00 0.00 -1.01 0.00 0.00 64.21 58.01 2kay n SER 63 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kay n ASP 64 N -0.35 0.00 0.00 6.43 5.75 -1.26 -5.10 116.55 122.02 2kay n ASP 64 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 2kay n ASP 64 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2kay n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kay n GLN 65 N 0.00 0.08 -4.45 0.11 10.64 -1.26 -5.11 117.38 117.39 2kay n GLN 65 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 2kay n GLN 65 Cb 0.00 -0.01 -0.13 0.00 -0.86 0.00 0.00 30.24 29.24 2kay n GLN 65 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2kay s GLU 66 N 0.00 1.13 -0.51 2.61 2.02 -1.26 -1.99 118.70 120.69 2kay s GLU 66 Ca 0.00 -0.89 -0.09 0.00 0.02 0.00 0.00 54.97 54.01 2kay s GLU 66 Cb 0.00 -1.21 0.13 0.00 0.10 0.00 0.00 34.13 33.15 2kay s GLU 66 CO 0.00 0.30 0.39 0.42 0.02 0.00 0.00 175.26 176.39 2kay s ILE 67 N -0.89 4.31 0.76 -1.63 -1.09 0.14 -4.90 121.20 117.90 2kay s ILE 67 Ca 0.04 -1.93 -0.12 0.00 -2.23 0.00 0.00 60.65 56.41 2kay s ILE 67 Cb -0.09 -3.82 0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2kay s ILE 67 CO 0.02 -0.81 1.12 -0.62 -1.23 0.00 0.00 174.94 173.41 2kay s ASP 68 N 2.50 4.41 0.50 3.58 2.15 -1.26 -1.18 116.67 127.37 2kay s ASP 68 Ca 0.07 1.97 0.25 0.00 0.43 0.00 0.00 52.55 55.28 2kay s ASP 68 Cb -0.25 -2.54 1.34 0.00 -0.30 0.00 0.00 42.92 41.17 2kay s ASP 68 CO -0.01 -2.10 1.92 0.15 -0.17 0.00 0.00 175.17 174.95 2kay h PHE 69 N -0.84 0.15 0.01 -5.34 3.04 -1.97 0.18 116.94 112.17 2kay h PHE 69 Ca -0.45 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.28 2kay h PHE 69 Cb 1.25 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2kay h PHE 69 CO 0.55 0.05 -0.96 0.87 -2.02 0.00 0.00 178.31 176.80 2kay h LYS 70 N 0.12 0.38 -0.18 1.11 6.56 -1.92 -2.45 116.57 120.18 2kay h LYS 70 Ca 0.38 -0.42 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2kay h LYS 70 Cb 1.31 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 33.09 2kay h LYS 70 CO -0.05 1.10 0.08 0.93 -2.06 0.00 0.00 179.45 179.45 2kay h GLU 71 N 0.21 0.26 -0.93 3.15 5.08 -1.30 -3.35 114.58 117.70 2kay h GLU 71 Ca -0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2kay h GLU 71 Cb 1.60 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 2kay h GLU 71 CO 0.16 0.30 0.56 -0.92 -1.00 0.00 0.00 179.01 178.12 2kay h TYR 72 N 0.16 1.22 -0.35 4.33 3.20 -0.67 -3.25 116.97 121.60 2kay h TYR 72 Ca 0.06 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.03 2kay h TYR 72 Cb 0.13 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2kay h TYR 72 CO -0.02 0.80 0.40 0.77 -1.64 0.00 0.00 178.16 178.47 2kay h SER 73 N 1.28 0.00 0.69 -2.11 0.02 -1.57 -1.02 113.55 110.83 2kay h SER 73 Ca 0.33 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2kay h SER 73 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2kay h SER 73 CO -0.06 0.00 -0.27 -0.37 -1.14 0.00 0.00 176.83 174.99 2kay h VAL 74 N 0.00 0.75 0.61 2.27 -1.51 -1.82 -2.82 116.25 113.73 2kay h VAL 74 Ca 0.17 -1.13 -0.03 0.00 -1.23 0.00 0.00 66.70 64.48 2kay h VAL 74 Cb 0.96 1.71 0.01 0.00 -2.13 0.00 0.00 31.29 31.83 2kay h VAL 74 CO -0.00 0.26 -0.29 0.15 -1.23 0.00 0.00 177.57 176.46 2kay h PHE 75 N 0.00 -0.76 0.00 5.19 3.57 -1.44 0.14 116.94 123.64 2kay h PHE 75 Ca -0.00 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2kay h PHE 75 Cb 0.69 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2kay h PHE 75 CO 0.00 -0.43 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.34 2kay h LEU 76 N -0.96 0.00 0.22 0.59 3.38 -1.73 -1.45 115.31 115.35 2kay h LEU 76 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kay h LEU 76 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kay h LEU 76 CO 0.14 0.25 -0.10 0.74 0.09 0.00 0.00 178.44 179.55 2kay h THR 77 N 0.00 0.80 -0.83 0.22 2.02 -1.28 -0.43 112.91 113.40 2kay h THR 77 Ca -0.00 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2kay h THR 77 Cb 0.46 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2kay h THR 77 CO 0.03 0.02 0.55 0.24 0.37 0.00 0.00 175.52 176.73 2kay h MET 78 N -0.33 1.10 -0.45 6.66 2.86 -0.58 -1.73 114.93 122.46 2kay h MET 78 Ca -0.03 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 2kay h MET 78 Cb 0.25 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2kay h MET 78 CO 0.05 0.74 -0.12 -0.07 1.06 0.00 0.00 176.91 178.57 2kay h LEU 79 N 1.13 0.88 -1.13 1.22 3.38 -1.19 -1.29 115.31 118.32 2kay h LEU 79 Ca 0.30 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2kay h LEU 79 Cb -0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2kay h LEU 79 CO -0.06 1.04 -0.39 0.00 0.09 0.00 0.00 178.44 179.12 2kay h MET 81 N 0.00 0.83 -0.30 0.00 2.86 -1.13 -2.83 114.93 114.36 2kay h MET 81 Ca -0.00 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2kay h MET 81 Cb 0.79 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2kay h MET 81 CO 0.05 0.84 -0.03 0.00 1.06 0.00 0.00 176.91 178.83 2kay h ALA 82 N 0.95 1.40 0.00 6.32 0.00 -0.75 -1.47 119.26 125.72 2kay h ALA 82 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kay h ALA 82 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kay h ALA 82 CO 0.01 0.42 -0.10 1.88 0.00 0.00 0.00 179.25 181.47 2kay h TYR 83 N 0.44 0.00 -0.01 0.00 -1.99 -1.16 -2.98 116.97 111.27 2kay h TYR 83 Ca 0.09 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.60 2kay h TYR 83 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2kay h TYR 83 CO 0.01 0.10 -0.91 -0.97 -0.00 0.00 0.00 178.16 176.39 2kay h ASN 84 N 0.00 0.53 -0.46 3.88 -0.73 -1.01 -2.21 115.58 115.59 2kay h ASN 84 Ca -0.00 -0.42 -0.02 0.00 1.87 0.00 0.00 56.30 57.74 2kay h ASN 84 Cb 0.30 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 2kay h ASN 84 CO 0.01 1.21 0.22 -0.78 -0.37 0.00 0.00 177.43 177.72 2kay h ASP 85 N 0.24 0.60 -0.32 1.15 3.58 -1.45 -1.29 116.42 118.93 2kay h ASP 85 Ca -0.07 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.32 2kay h ASP 85 Cb 1.54 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 42.36 2kay h ASP 85 CO 0.16 0.56 -0.12 0.15 -2.88 0.00 0.00 179.24 177.10 2kay h PHE 86 N 0.60 -0.29 -0.30 0.28 3.04 -1.54 -1.88 116.94 116.85 2kay h PHE 86 Ca 0.16 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 2kay h PHE 86 Cb 0.12 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 2kay h PHE 86 CO -0.01 -0.19 0.04 0.35 -2.02 0.00 0.00 178.31 176.48 2kay h PHE 87 N -0.07 0.44 0.00 0.41 3.04 -1.17 -2.32 116.94 117.28 2kay h PHE 87 Ca 0.16 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2kay h PHE 87 Cb 0.31 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.69 2kay h PHE 87 CO -0.34 0.41 0.00 -0.07 -2.02 0.00 0.00 178.31 176.30 2kay h LEU 88 N 0.43 0.00 0.00 0.59 3.38 -0.41 -2.31 115.31 116.99 2kay h LEU 88 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kay h LEU 88 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kay h LEU 88 CO 0.00 0.00 -0.97 -0.62 0.09 0.00 0.00 178.44 176.94 2kay n GLU 89 N -2.87 0.44 -0.07 1.13 -0.58 -0.89 -4.49 120.64 113.32 2kay n GLU 89 Ca 0.01 0.06 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 2kay n GLU 89 Cb 0.27 -1.71 -0.12 0.00 -0.57 0.00 0.00 31.44 29.31 2kay n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kay n ASP 90 N -2.31 2.01 0.00 1.62 2.03 -1.01 -4.37 116.55 114.53 2kay n ASP 90 Ca 0.01 0.19 0.02 0.00 0.52 0.00 0.00 54.79 55.54 2kay n ASP 90 Cb 0.49 -0.78 0.12 0.00 -0.72 0.00 0.00 41.12 40.24 2kay n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kay n ASN 91 N -3.74 0.00 -0.20 1.67 2.04 -0.90 -5.12 115.26 109.00 2kay n ASN 91 Ca -0.38 -1.25 0.15 0.00 -0.44 0.00 0.00 54.58 52.66 2kay n ASN 91 Cb 0.93 0.00 0.77 0.00 -2.53 0.00 0.00 39.78 38.96 2kay n ASN 91 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99