#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 -4.26 0.03 4.71 -1.26 -5.10 120.64 114.75 2kay n GLU 2 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.89 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 3.39 -0.23 2.62 -4.23 -1.26 -5.01 115.64 112.34 2kay s THR 3 Ca 0.00 -1.61 0.27 0.00 -1.18 0.00 0.00 61.69 59.17 2kay s THR 3 Cb 0.00 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.43 2kay s THR 3 CO 0.00 -0.14 1.81 1.55 -0.54 0.00 0.00 174.62 177.30 2kay h PRO 4 N 2.73 0.00 0.03 3.99 0.13 -1.99 -3.28 132.00 133.61 2kay h PRO 4 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kay h PRO 4 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kay h PRO 4 CO 0.56 0.00 -0.02 1.25 -0.23 0.00 0.00 178.00 179.57 2kay h LEU 5 N 0.00 -0.04 -0.67 1.56 7.12 -1.99 -0.56 115.31 120.74 2kay h LEU 5 Ca 0.00 -0.26 0.02 0.00 0.13 0.00 0.00 57.88 57.78 2kay h LEU 5 Cb 0.31 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.41 2kay h LEU 5 CO 0.00 0.24 0.42 -0.33 -0.13 0.00 0.00 178.44 178.64 2kay h GLU 6 N -0.31 0.81 0.00 1.25 5.08 -1.99 -1.17 114.58 118.24 2kay h GLU 6 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kay h GLU 6 Cb 0.29 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kay h GLU 6 CO 0.01 0.54 -0.15 0.87 -1.00 0.00 0.00 179.01 179.27 2kay h LYS 7 N 0.83 0.00 -0.00 2.33 1.79 -1.58 0.51 116.57 120.45 2kay h LYS 7 Ca 0.26 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2kay h LYS 7 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2kay h LYS 7 CO -0.09 0.15 -0.00 0.00 -1.08 0.00 0.00 179.45 178.42 2kay h ALA 8 N 1.85 0.00 -0.71 3.86 0.00 -0.71 -3.29 119.26 120.25 2kay h ALA 8 Ca -0.00 -0.34 0.18 0.00 0.00 0.00 0.00 54.91 54.74 2kay h ALA 8 Cb 0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2kay h ALA 8 CO 0.02 -0.16 0.49 -0.07 0.00 0.00 0.00 179.25 179.54 2kay h LEU 9 N -0.67 0.19 -0.96 0.00 3.38 -0.36 -0.90 115.31 116.00 2kay h LEU 9 Ca -0.00 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2kay h LEU 9 Cb 0.68 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 2kay h LEU 9 CO 0.00 0.09 0.56 0.00 0.09 0.00 0.00 178.44 179.18 2kay h THR 10 N 0.20 0.76 0.00 0.22 1.03 -1.00 -1.66 112.91 112.46 2kay h THR 10 Ca 0.35 -0.27 -0.01 0.00 -0.01 0.00 0.00 66.41 66.47 2kay h THR 10 Cb 1.09 -0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 2kay h THR 10 CO -0.07 0.14 -0.05 0.00 -0.01 0.00 0.00 175.52 175.53 2kay h THR 11 N 0.77 0.65 -0.50 0.00 1.03 -1.30 0.73 112.91 114.29 2kay h THR 11 Ca 0.53 -0.22 -0.07 0.00 -0.01 0.00 0.00 66.41 66.63 2kay h THR 11 Cb 0.73 1.14 -0.02 0.00 -1.07 0.00 0.00 68.15 68.93 2kay h THR 11 CO -0.35 0.05 0.01 0.24 -0.01 0.00 0.00 175.52 175.46 2kay h MET 12 N 0.00 0.84 0.02 0.00 2.07 -1.43 -1.14 114.93 115.28 2kay h MET 12 Ca -0.00 -0.23 -0.21 0.00 -2.07 0.00 0.00 59.70 57.20 2kay h MET 12 Cb 0.13 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 2kay h MET 12 CO 0.01 0.83 -0.92 0.28 1.07 0.00 0.00 176.91 178.18 2kay h VAL 13 N 0.78 1.52 -0.04 -2.22 2.07 -0.99 -2.57 116.25 114.79 2kay h VAL 13 Ca 0.15 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 64.93 2kay h VAL 13 Cb 0.45 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2kay h VAL 13 CO 0.02 0.80 0.01 0.74 0.02 0.00 0.00 177.57 179.16 2kay h THR 14 N 0.09 1.17 -0.24 2.57 2.02 -0.77 0.63 112.91 118.38 2kay h THR 14 Ca -0.05 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 2kay h THR 14 Cb 1.57 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 2kay h THR 14 CO 0.14 0.14 -0.10 0.71 0.37 0.00 0.00 175.52 176.77 2kay h THR 15 N -0.12 1.20 0.62 3.16 1.35 -1.32 -0.91 112.91 116.88 2kay h THR 15 Ca 0.01 -0.87 -0.03 0.00 -0.55 0.00 0.00 66.41 64.97 2kay h THR 15 Cb 0.21 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.78 2kay h THR 15 CO -0.00 0.28 -0.30 0.15 -0.25 0.00 0.00 175.52 175.40 2kay h PHE 16 N 0.36 -0.77 -0.30 4.73 3.04 -1.00 0.11 116.94 123.10 2kay h PHE 16 Ca 0.07 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 2kay h PHE 16 Cb 0.41 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 2kay h PHE 16 CO 0.01 -0.45 0.05 0.45 -2.02 0.00 0.00 178.31 176.35 2kay h HIS 17 N -0.90 0.52 -0.04 0.41 3.86 -0.83 0.16 115.15 118.33 2kay h HIS 17 Ca -0.08 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 2kay h HIS 17 Cb 0.66 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2kay h HIS 17 CO -0.02 0.57 -0.02 -0.22 0.86 0.00 0.00 177.93 179.11 2kay h LYS 18 N 0.32 0.09 0.00 2.45 1.63 -1.16 -1.70 116.57 118.20 2kay h LYS 18 Ca 0.09 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.71 2kay h LYS 18 Cb 0.33 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2kay h LYS 18 CO 0.00 0.47 -0.69 1.88 -3.45 0.00 0.00 179.45 177.67 2kay h TYR 19 N -0.30 0.00 0.00 1.91 -1.99 -0.84 -2.87 116.97 112.88 2kay h TYR 19 Ca 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 2kay h TYR 19 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 2kay h TYR 19 CO 0.07 0.69 -0.25 0.66 -0.00 0.00 0.00 178.16 179.33 2kay h SER 20 N 0.00 0.00 -0.04 3.88 4.64 -0.72 -1.60 113.55 119.71 2kay h SER 20 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2kay h SER 20 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2kay h SER 20 CO 0.09 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 2kay n GLY 21 N -0.18 -0.63 0.24 -0.77 0.00 -0.64 -3.89 105.19 99.32 2kay n GLY 21 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.67 0.20 -2.25 1.61 2.43 -1.06 -3.45 114.38 112.52 2kay h ARG 22 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2kay h ARG 22 Cb 0.15 -0.03 -0.20 0.00 -0.42 0.00 0.00 29.97 29.47 2kay h ARG 22 CO 0.00 0.34 0.06 -2.00 -1.51 0.00 0.00 179.97 176.86 2kay s GLU 23 N -4.71 0.90 6.20 0.20 2.12 -1.25 -5.11 118.70 117.05 2kay s GLU 23 Ca -0.05 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2kay s GLU 23 Cb 0.15 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.97 2kay s GLU 23 CO 0.73 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 2kay n GLY 24 N 1.45 3.71 3.46 -1.50 0.00 -1.26 -4.38 105.19 106.67 2kay n GLY 24 Ca -0.18 0.10 -0.55 0.00 0.00 0.00 0.00 46.02 45.39 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 6.22 1.80 -1.41 1.61 7.64 -1.26 -4.85 113.62 123.36 2kay n SER 25 Ca 0.00 0.65 -0.04 0.00 1.01 0.00 0.00 58.87 60.49 2kay n SER 25 Cb 0.00 -1.13 0.15 0.00 -1.01 0.00 0.00 64.21 62.22 2kay n SER 25 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kay n LYS 26 N 7.28 2.34 0.00 1.43 -0.00 -1.25 -3.98 118.16 123.98 2kay n LYS 26 Ca 0.41 -1.57 0.00 0.00 -0.00 0.00 0.00 58.31 57.15 2kay n LYS 26 Cb 0.13 -1.75 0.00 0.00 -0.00 0.00 0.00 35.03 33.41 2kay n LYS 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2kay n LEU 27 N 0.00 0.00 -4.78 -5.58 7.94 -1.26 -4.42 117.00 108.91 2kay n LEU 27 Ca 0.22 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.75 2kay n LEU 27 Cb 0.91 0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.83 2kay n LEU 27 CO 0.24 -0.16 0.65 0.42 -1.11 0.00 0.00 177.39 177.43 2kay s THR 28 N -1.32 4.20 -0.88 1.96 -4.23 -1.26 -4.81 115.64 109.30 2kay s THR 28 Ca 0.00 1.80 -0.20 0.00 -1.18 0.00 0.00 61.69 62.11 2kay s THR 28 Cb 0.00 -3.99 0.11 0.00 1.34 0.00 0.00 72.50 69.96 2kay s THR 28 CO 0.00 0.13 1.12 -0.76 -0.54 0.00 0.00 174.62 174.57 2kay s LEU 29 N -2.09 4.75 0.64 4.79 1.43 -1.14 -4.56 118.68 122.50 2kay s LEU 29 Ca 0.51 -1.76 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 2kay s LEU 29 Cb -0.19 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2kay s LEU 29 CO 0.24 -1.19 1.30 -0.55 0.23 0.00 0.00 176.35 176.37 2kay s SER 30 N 3.78 4.67 0.25 2.29 0.15 -1.26 -1.17 113.70 122.41 2kay s SER 30 Ca 0.32 2.63 -0.06 0.00 0.70 0.00 0.00 55.95 59.53 2kay s SER 30 Cb -0.07 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.05 2kay s SER 30 CO -0.05 -1.96 1.37 -1.14 1.20 0.00 0.00 173.24 172.66 2kay n ARG 31 N -1.84 -0.08 0.18 5.44 0.63 0.49 -0.18 116.66 121.30 2kay n ARG 31 Ca 0.15 1.37 0.03 0.00 -0.92 0.00 0.00 57.85 58.48 2kay n ARG 31 Cb 0.48 -2.06 0.32 0.00 0.45 0.00 0.00 32.46 31.65 2kay n ARG 31 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 2kay h LYS 32 N 0.00 0.00 -0.05 -0.14 -0.00 -1.91 -1.22 116.57 113.25 2kay h LYS 32 Ca 0.43 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.85 2kay h LYS 32 Cb 0.68 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.92 2kay h LYS 32 CO -0.90 0.43 -0.91 0.93 -0.00 0.00 0.00 179.45 179.00 2kay h GLU 33 N 0.00 0.63 -0.76 0.07 5.08 -0.91 -3.20 114.58 115.48 2kay h GLU 33 Ca -0.00 -0.60 -0.05 0.00 -1.00 0.00 0.00 59.36 57.70 2kay h GLU 33 Cb 0.84 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2kay h GLU 33 CO 0.06 1.21 0.29 1.25 -1.00 0.00 0.00 179.01 180.82 2kay h LEU 34 N 0.39 1.07 -0.98 1.33 5.85 -0.85 -2.23 115.31 119.89 2kay h LEU 34 Ca -0.08 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.57 2kay h LEU 34 Cb 1.54 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 2kay h LEU 34 CO 0.17 0.96 0.61 0.50 -0.34 0.00 0.00 178.44 180.34 2kay h LYS 35 N 1.12 0.97 0.89 1.25 3.64 -1.23 -1.27 116.57 121.95 2kay h LYS 35 Ca 0.25 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2kay h LYS 35 Cb 0.24 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2kay h LYS 35 CO -0.02 0.64 -0.43 1.49 -2.27 0.00 0.00 179.45 178.87 2kay h GLU 36 N 1.00 -1.16 -0.28 1.90 4.57 -1.50 -3.36 114.58 115.74 2kay h GLU 36 Ca 0.47 0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.77 2kay h GLU 36 Cb 0.40 0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 2kay h GLU 36 CO -0.24 -0.77 0.04 1.25 -1.18 0.00 0.00 179.01 178.11 2kay h LEU 37 N -1.23 -0.03 0.32 1.64 5.85 -0.79 -2.86 115.31 118.22 2kay h LEU 37 Ca -0.12 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2kay h LEU 37 Cb 0.92 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2kay h LEU 37 CO 0.20 0.02 -0.45 0.40 -0.34 0.00 0.00 178.44 178.27 2kay h ILE 38 N 0.14 0.00 0.00 4.05 2.04 -1.41 -2.44 117.51 119.89 2kay h ILE 38 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2kay h ILE 38 Cb 0.15 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2kay h ILE 38 CO -0.19 0.00 0.00 2.29 0.00 0.00 0.00 178.15 180.25 2kay n LYS 39 N -5.12 0.99 -0.03 2.37 -0.00 -1.22 -1.71 118.16 113.45 2kay n LYS 39 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.08 2kay n LYS 39 Cb 0.39 -1.45 -0.14 0.00 -0.00 0.00 0.00 35.03 33.83 2kay n LYS 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kay n LYS 40 N -0.95 0.68 -0.10 -1.58 4.76 -0.99 -4.59 118.16 115.39 2kay n LYS 40 Ca 0.21 0.25 -0.19 0.00 -2.87 0.00 0.00 58.31 55.72 2kay n LYS 40 Cb 0.10 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.46 2kay n LYS 40 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2kay h GLU 41 N 0.02 0.00 -3.78 1.97 4.39 -1.36 -3.42 114.58 112.40 2kay h GLU 41 Ca -0.37 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.64 2kay h GLU 41 Cb 2.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 2kay h GLU 41 CO 0.07 0.83 3.23 1.28 -1.16 0.00 0.00 179.01 183.26 2kay n LEU 42 N -4.47 7.05 0.09 1.33 4.77 -0.69 -4.81 117.00 120.27 2kay n LEU 42 Ca -0.27 -4.05 0.08 0.00 -0.03 0.00 0.00 56.01 51.74 2kay n LEU 42 Cb 0.60 -1.57 0.39 0.00 -2.33 0.00 0.00 43.42 40.50 2kay n LEU 42 CO 0.18 1.21 0.74 0.00 -1.33 0.00 0.00 177.39 178.19 2kay n LEU 44 N -1.97 3.01 -4.66 0.00 -0.00 -1.26 -5.02 117.00 107.10 2kay n LEU 44 Ca 0.00 -1.04 -0.42 0.00 -0.00 0.00 0.00 56.01 54.55 2kay n LEU 44 Cb 0.09 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.45 2kay n LEU 44 CO 0.10 0.52 0.75 -0.83 -0.00 0.00 0.00 177.39 177.93 2kay s GLY 45 N -1.94 1.92 -1.04 1.47 0.00 -0.58 -4.96 107.32 102.19 2kay s GLY 45 Ca 0.30 0.09 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 2kay s GLY 45 CO 0.30 1.91 2.25 1.18 0.00 0.00 0.00 173.10 178.75 2kay n GLU 46 N 5.75 2.36 -1.58 2.90 -0.58 -1.26 -4.81 120.64 123.43 2kay n GLU 46 Ca 0.08 -1.59 -0.42 0.00 -0.42 0.00 0.00 57.16 54.81 2kay n GLU 46 Cb 0.48 -2.52 -0.01 0.00 -0.57 0.00 0.00 31.44 28.81 2kay n GLU 46 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2kay n MET 47 N 4.14 2.67 -1.61 3.49 2.81 -1.26 -4.94 117.12 122.42 2kay n MET 47 Ca 0.50 -2.41 -0.44 0.00 -1.81 0.00 0.00 57.70 53.54 2kay n MET 47 Cb 0.15 -3.17 -0.03 0.00 -0.71 0.00 0.00 33.22 29.46 2kay n MET 47 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kay n LYS 48 N 6.01 2.19 -0.26 0.03 5.02 -1.26 -4.76 118.16 125.12 2kay n LYS 48 Ca 0.54 0.69 0.17 0.00 -2.02 0.00 0.00 58.31 57.69 2kay n LYS 48 Cb 0.37 -3.06 0.46 0.00 -0.02 0.00 0.00 35.03 32.78 2kay n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kay h GLU 49 N 13.07 0.49 -0.13 1.97 4.81 -2.02 -0.38 114.58 132.39 2kay h GLU 49 Ca -0.43 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2kay h GLU 49 Cb 1.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2kay h GLU 49 CO 0.96 0.32 0.15 1.03 -0.73 0.00 0.00 179.01 180.74 2kay h SER 50 N 0.51 0.00 0.84 1.04 0.87 -2.01 -0.27 113.55 114.52 2kay h SER 50 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2kay h SER 50 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2kay h SER 50 CO -0.21 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 174.81 2kay h SER 51 N 0.00 0.00 -0.78 6.23 0.87 -1.38 -2.16 113.55 116.33 2kay h SER 51 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2kay h SER 51 Cb 0.36 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2kay h SER 51 CO -0.00 0.00 0.46 0.40 -0.53 0.00 0.00 176.83 177.16 2kay h ILE 52 N 0.00 1.22 0.10 2.23 1.08 -1.24 -1.91 117.51 118.99 2kay h ILE 52 Ca 0.00 -0.51 -0.29 0.00 -0.39 0.00 0.00 64.86 63.67 2kay h ILE 52 Cb 0.42 0.15 0.02 0.00 -3.07 0.00 0.00 36.82 34.34 2kay h ILE 52 CO 0.00 0.24 -1.20 -0.78 -0.69 0.00 0.00 178.15 175.72 2kay h ASP 53 N 1.07 0.81 1.26 1.72 3.58 -1.51 -0.43 116.42 122.92 2kay h ASP 53 Ca 0.28 -0.74 -0.14 0.00 0.42 0.00 0.00 57.03 56.85 2kay h ASP 53 Cb -0.02 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 2kay h ASP 53 CO -0.05 1.54 -0.67 0.44 -2.88 0.00 0.00 179.24 177.62 2kay h ASP 54 N 0.27 0.00 0.30 2.28 5.19 -1.59 -0.40 116.42 122.46 2kay h ASP 54 Ca -0.17 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 2kay h ASP 54 Cb 1.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.38 2kay h ASP 54 CO 0.22 0.67 -0.15 0.25 -3.12 0.00 0.00 179.24 177.12 2kay h LEU 55 N 0.00 -0.35 -0.31 1.55 5.85 -1.37 -2.84 115.31 117.83 2kay h LEU 55 Ca -0.01 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2kay h LEU 55 Cb 1.48 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2kay h LEU 55 CO 0.09 -0.25 0.05 -0.03 -0.34 0.00 0.00 178.44 177.95 2kay h MET 56 N -0.41 0.15 -0.95 1.25 4.05 -0.87 0.01 114.93 118.17 2kay h MET 56 Ca -0.04 -0.01 0.19 0.00 -0.28 0.00 0.00 59.70 59.57 2kay h MET 56 Cb 0.32 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.00 2kay h MET 56 CO 0.06 0.10 0.61 0.87 0.23 0.00 0.00 176.91 178.78 2kay h LYS 57 N 0.15 0.55 0.00 0.39 1.57 -1.14 0.90 116.57 118.99 2kay h LYS 57 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2kay h LYS 57 Cb 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2kay h LYS 57 CO -0.21 0.37 -0.40 0.77 -0.57 0.00 0.00 179.45 179.41 2kay h SER 58 N 0.57 0.00 0.00 0.86 0.02 -0.82 -3.35 113.55 110.84 2kay h SER 58 Ca 0.51 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.38 2kay h SER 58 Cb 1.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2kay h SER 58 CO -0.25 0.01 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.02 2kay h LEU 59 N 0.00 0.00 -8.13 5.07 3.38 -0.36 -3.43 115.31 111.84 2kay h LEU 59 Ca 0.00 -0.44 -0.56 0.00 0.09 0.00 0.00 57.88 56.97 2kay h LEU 59 Cb 0.94 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 2kay h LEU 59 CO 0.00 0.93 1.40 -0.62 0.09 0.00 0.00 178.44 180.23 2kay s ASP 60 N -6.09 6.32 0.00 -0.43 2.15 0.24 -4.84 116.67 114.04 2kay s ASP 60 Ca -0.15 -1.33 0.30 0.00 0.43 0.00 0.00 52.55 51.79 2kay s ASP 60 Cb 0.01 -2.57 1.65 0.00 -0.30 0.00 0.00 42.92 41.71 2kay s ASP 60 CO 0.39 -1.67 2.07 0.29 -0.17 0.00 0.00 175.17 176.09 2kay n LYS 61 N 8.90 0.72 0.04 4.34 5.02 -1.26 -3.22 118.16 132.70 2kay n LYS 61 Ca 0.33 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.55 2kay n LYS 61 Cb 0.50 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 2kay n LYS 61 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kay h ASN 62 N 0.00 0.03 -1.37 4.39 -0.26 -1.91 -3.48 115.58 112.98 2kay h ASN 62 Ca 0.00 -0.04 -0.33 0.00 -0.56 0.00 0.00 56.30 55.37 2kay h ASN 62 Cb 0.11 -0.01 -0.09 0.00 -1.06 0.00 0.00 38.32 37.28 2kay h ASN 62 CO 0.00 1.04 -0.35 -0.24 -1.06 0.00 0.00 177.43 176.82 2kay n SER 63 N -3.28 -4.89 0.01 5.81 2.88 -1.20 -4.92 113.62 108.03 2kay n SER 63 Ca -0.06 0.24 0.14 0.00 -1.33 0.00 0.00 58.87 57.85 2kay n SER 63 Cb 0.98 -3.89 0.54 0.00 -0.75 0.00 0.00 64.21 61.08 2kay n SER 63 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kay n ASP 64 N -0.80 0.15 0.00 -3.46 5.75 -1.26 -4.94 116.55 112.00 2kay n ASP 64 Ca -0.17 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2kay n ASP 64 Cb 0.58 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 -1.56 -0.76 -4.23 0.11 6.02 -1.26 -4.99 117.38 110.71 2kay n GLN 65 Ca 0.07 0.19 -0.34 0.00 -0.01 0.00 0.00 57.00 56.90 2kay n GLN 65 Cb 0.35 -4.37 -0.11 0.00 1.02 0.00 0.00 30.24 27.13 2kay n GLN 65 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2kay s GLU 66 N -1.20 3.73 -0.37 -1.09 0.41 -1.26 -0.38 118.70 118.54 2kay s GLU 66 Ca 0.00 -0.43 -0.23 0.00 -0.41 0.00 0.00 54.97 53.90 2kay s GLU 66 Cb 0.00 -3.03 0.01 0.00 -1.78 0.00 0.00 34.13 29.33 2kay s GLU 66 CO 0.00 0.31 0.77 0.42 -0.49 0.00 0.00 175.26 176.26 2kay s ILE 67 N 0.22 4.74 0.72 -1.63 -1.09 -0.32 -4.88 121.20 118.96 2kay s ILE 67 Ca 0.01 0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 59.12 2kay s ILE 67 Cb -0.13 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 2kay s ILE 67 CO 0.02 -0.45 1.07 -0.62 -1.23 0.00 0.00 174.94 173.73 2kay s ASP 68 N 1.87 5.27 0.22 3.58 -1.08 -1.26 -2.87 116.67 122.39 2kay s ASP 68 Ca 0.30 1.39 -0.07 0.00 -0.52 0.00 0.00 52.55 53.65 2kay s ASP 68 Cb -0.13 -2.24 0.29 0.00 -1.46 0.00 0.00 42.92 39.38 2kay s ASP 68 CO 0.17 -1.48 1.81 -0.26 0.52 0.00 0.00 175.17 175.93 2kay h PHE 69 N -0.75 0.77 0.00 -5.34 0.04 -1.97 0.27 116.94 109.95 2kay h PHE 69 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2kay h PHE 69 Cb 1.23 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.15 2kay h PHE 69 CO 0.56 0.36 0.00 0.36 -0.60 0.00 0.00 178.31 178.98 2kay n LYS 70 N -4.75 0.19 0.05 1.51 2.85 -1.26 -2.29 118.16 114.45 2kay n LYS 70 Ca 0.10 0.41 -0.22 0.00 -1.05 0.00 0.00 58.31 57.55 2kay n LYS 70 Cb 0.20 -1.86 -0.14 0.00 -0.65 0.00 0.00 35.03 32.58 2kay n LYS 70 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2kay h GLU 71 N 0.00 0.33 -0.25 -1.58 5.08 -1.33 -3.36 114.58 113.47 2kay h GLU 71 Ca 0.00 -0.57 0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2kay h GLU 71 Cb 0.37 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kay h GLU 71 CO 0.00 1.27 0.18 -0.92 -1.00 0.00 0.00 179.01 178.54 2kay h TYR 72 N -0.09 0.00 -0.89 4.33 3.20 -0.90 0.22 116.97 122.84 2kay h TYR 72 Ca -0.32 0.00 0.23 0.00 3.14 0.00 0.00 58.73 61.78 2kay h TYR 72 Cb 1.94 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 40.16 2kay h TYR 72 CO 0.12 0.00 0.61 0.77 -1.64 0.00 0.00 178.16 178.02 2kay h SER 73 N 0.00 0.19 -0.36 -2.11 0.02 -1.60 -1.46 113.55 108.22 2kay h SER 73 Ca 0.12 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.93 2kay h SER 73 Cb 0.48 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2kay h SER 73 CO -0.00 0.07 -0.42 0.58 -1.14 0.00 0.00 176.83 175.92 2kay h VAL 74 N 0.19 1.27 0.32 2.27 2.07 -0.76 0.65 116.25 122.27 2kay h VAL 74 Ca 0.45 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2kay h VAL 74 Cb 1.44 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2kay h VAL 74 CO -0.09 0.53 -0.15 0.15 0.02 0.00 0.00 177.57 178.02 2kay h PHE 75 N 0.75 -0.40 -0.61 1.57 3.57 -1.41 -2.20 116.94 118.20 2kay h PHE 75 Ca 0.05 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2kay h PHE 75 Cb 1.02 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2kay h PHE 75 CO 0.06 -0.11 0.41 -0.07 -2.23 0.00 0.00 178.31 176.37 2kay h LEU 76 N -0.67 0.60 0.46 0.59 3.38 -1.30 -1.98 115.31 116.39 2kay h LEU 76 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2kay h LEU 76 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kay h LEU 76 CO 0.07 0.41 -0.22 0.74 0.09 0.00 0.00 178.44 179.53 2kay h THR 77 N 0.69 0.50 -0.62 0.22 2.02 -0.75 -0.10 112.91 114.88 2kay h THR 77 Ca 0.25 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2kay h THR 77 Cb 0.13 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2kay h THR 77 CO -0.07 0.05 0.41 0.24 0.37 0.00 0.00 175.52 176.52 2kay h MET 78 N -0.82 0.80 0.17 6.66 2.86 -1.05 0.39 114.93 123.94 2kay h MET 78 Ca -0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2kay h MET 78 Cb 0.56 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2kay h MET 78 CO 0.10 0.53 -0.08 -0.07 1.06 0.00 0.00 176.91 178.45 2kay h LEU 79 N 0.83 -0.19 -1.49 1.22 -0.00 -1.43 -1.92 115.31 112.32 2kay h LEU 79 Ca 0.23 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 2kay h LEU 79 Cb -0.08 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 2kay h LEU 79 CO -0.06 -0.00 -0.04 0.00 -0.00 0.00 0.00 178.44 178.34 2kay h MET 81 N 0.27 0.26 -0.49 0.00 2.86 -0.87 -2.78 114.93 114.17 2kay h MET 81 Ca 0.06 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2kay h MET 81 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2kay h MET 81 CO 0.01 0.66 0.12 0.00 1.06 0.00 0.00 176.91 178.75 2kay h ALA 82 N 1.33 0.65 0.00 6.32 0.00 -0.49 -3.02 119.26 124.04 2kay h ALA 82 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2kay h ALA 82 Cb 0.88 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kay h ALA 82 CO 0.07 0.35 -0.15 1.88 0.00 0.00 0.00 179.25 181.40 2kay h TYR 83 N 0.68 0.00 -0.23 0.00 -1.99 -1.35 -1.90 116.97 112.18 2kay h TYR 83 Ca 0.15 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 2kay h TYR 83 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 2kay h TYR 83 CO 0.02 0.15 0.13 -0.97 -0.00 0.00 0.00 178.16 177.50 2kay h ASN 84 N 0.00 0.28 -0.35 3.88 -1.24 -1.37 -2.00 115.58 114.78 2kay h ASN 84 Ca -0.00 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 2kay h ASN 84 Cb 0.30 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 2kay h ASN 84 CO 0.02 0.26 -0.04 -0.78 -1.29 0.00 0.00 177.43 175.60 2kay h ASP 85 N 0.27 0.64 -0.30 1.15 3.58 -1.43 -2.81 116.42 117.52 2kay h ASP 85 Ca 0.08 -0.34 0.07 0.00 0.42 0.00 0.00 57.03 57.26 2kay h ASP 85 Cb 0.04 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 40.85 2kay h ASP 85 CO -0.01 0.83 -0.14 0.15 -2.88 0.00 0.00 179.24 177.18 2kay h PHE 86 N 0.44 -0.34 -0.30 0.28 3.04 -1.35 -0.64 116.94 118.08 2kay h PHE 86 Ca 0.09 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 2kay h PHE 86 Cb 0.52 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 2kay h PHE 86 CO 0.04 -0.21 -0.18 0.35 -2.02 0.00 0.00 178.31 176.29 2kay h PHE 87 N -0.09 0.59 -0.14 0.41 3.04 -1.35 -0.95 116.94 118.44 2kay h PHE 87 Ca 0.15 -0.11 -0.11 0.00 3.98 0.00 0.00 57.97 61.89 2kay h PHE 87 Cb 0.33 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 2kay h PHE 87 CO -0.34 0.69 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.20 2kay h LEU 88 N 0.49 0.32 -0.18 0.59 3.38 -1.15 -2.76 115.31 115.99 2kay h LEU 88 Ca 0.08 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2kay h LEU 88 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kay h LEU 88 CO 0.04 0.67 -0.93 -0.33 0.09 0.00 0.00 178.44 177.97 2kay h GLU 89 N 0.26 0.40 0.00 1.13 4.39 -0.63 -3.28 114.58 116.85 2kay h GLU 89 Ca 0.03 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 2kay h GLU 89 Cb 0.78 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2kay h GLU 89 CO 0.06 1.10 -0.39 -0.44 -1.16 0.00 0.00 179.01 178.18 2kay h ASP 90 N 0.23 0.00 -0.26 1.42 5.19 -1.17 -3.24 116.42 118.58 2kay h ASP 90 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2kay h ASP 90 Cb 1.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.08 2kay h ASP 90 CO 0.16 0.39 0.00 0.59 -3.12 0.00 0.00 179.24 177.26 2kay n ASN 91 N -3.58 2.12 -0.91 6.45 3.02 -1.04 -5.09 115.26 116.22 2kay n ASN 91 Ca -0.00 -2.16 0.12 0.00 -0.03 0.00 0.00 54.58 52.51 2kay n ASN 91 Cb 0.51 -0.36 0.14 0.00 -0.61 0.00 0.00 39.78 39.46 2kay n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93