#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kay s GLU 2 N 0.00 1.13 0.84 0.03 8.01 -1.26 -5.14 118.70 122.31 2kay s GLU 2 Ca 0.00 -0.69 -0.14 0.00 0.01 0.00 0.00 54.97 54.16 2kay s GLU 2 Cb 0.00 -1.13 0.04 0.00 -4.31 0.00 0.00 34.13 28.73 2kay s GLU 2 CO 0.00 0.30 0.77 0.25 0.01 0.00 0.00 175.26 176.58 2kay n THR 3 N 2.25 1.12 0.22 3.63 -2.24 -1.26 -4.68 114.28 113.33 2kay n THR 3 Ca -0.16 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.44 2kay n THR 3 Cb 0.55 -0.87 0.50 0.00 -2.10 0.00 0.00 70.33 68.40 2kay n THR 3 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kay h PRO 4 N -1.07 0.00 -0.13 -0.78 0.13 -2.01 -1.32 132.00 126.82 2kay h PRO 4 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2kay h PRO 4 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kay h PRO 4 CO 0.41 0.23 -0.01 1.25 -0.23 0.00 0.00 178.00 179.65 2kay h LEU 5 N 0.00 0.23 -1.58 1.56 5.85 -1.99 0.87 115.31 120.26 2kay h LEU 5 Ca -0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2kay h LEU 5 Cb 0.44 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2kay h LEU 5 CO 0.03 0.50 0.27 -0.33 -0.34 0.00 0.00 178.44 178.57 2kay h GLU 6 N -0.04 0.55 -0.06 1.25 3.07 -1.81 0.34 114.58 117.87 2kay h GLU 6 Ca 0.04 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 2kay h GLU 6 Cb 0.39 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2kay h GLU 6 CO 0.01 0.37 -0.67 0.87 -1.40 0.00 0.00 179.01 178.19 2kay h LYS 7 N 0.56 0.26 -0.31 2.33 1.79 -1.00 0.15 116.57 120.36 2kay h LYS 7 Ca 0.15 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2kay h LYS 7 Cb -0.05 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2kay h LYS 7 CO -0.03 0.83 0.07 0.00 -1.08 0.00 0.00 179.45 179.24 2kay h ALA 8 N 1.11 0.40 -0.29 3.86 0.00 -0.02 -0.81 119.26 123.51 2kay h ALA 8 Ca -0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2kay h ALA 8 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kay h ALA 8 CO 0.10 0.07 -0.21 -0.07 0.00 0.00 0.00 179.25 179.14 2kay h LEU 9 N 0.33 0.55 -0.48 0.00 3.38 -0.92 -2.41 115.31 115.76 2kay h LEU 9 Ca 0.10 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2kay h LEU 9 Cb 0.30 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2kay h LEU 9 CO 0.00 0.76 0.17 0.74 0.09 0.00 0.00 178.44 180.21 2kay h THR 10 N 0.49 0.84 -0.27 0.22 2.02 -0.57 -2.75 112.91 112.91 2kay h THR 10 Ca 0.08 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2kay h THR 10 Cb 0.64 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2kay h THR 10 CO 0.05 0.06 0.07 0.74 0.37 0.00 0.00 175.52 176.81 2kay h THR 11 N 0.35 0.90 -0.11 3.16 2.02 -0.69 -2.56 112.91 115.97 2kay h THR 11 Ca 0.23 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.39 2kay h THR 11 Cb 0.23 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2kay h THR 11 CO -0.23 0.03 -0.35 -0.03 0.37 0.00 0.00 175.52 175.31 2kay h MET 12 N 0.17 -0.42 0.00 6.66 -1.53 -1.16 -1.37 114.93 117.28 2kay h MET 12 Ca 0.12 0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.35 2kay h MET 12 Cb 0.11 0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.25 2kay h MET 12 CO -0.15 -0.28 -0.26 -0.24 0.14 0.00 0.00 176.91 176.12 2kay h VAL 13 N -0.44 1.10 -0.07 -5.77 3.04 -1.42 -0.15 116.25 112.54 2kay h VAL 13 Ca 0.09 -0.93 -0.08 0.00 -1.01 0.00 0.00 66.70 64.77 2kay h VAL 13 Cb 0.57 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2kay h VAL 13 CO -0.35 0.26 -0.26 0.74 -1.01 0.00 0.00 177.57 176.94 2kay h THR 14 N 0.00 1.42 -0.75 3.17 2.02 -0.99 -1.46 112.91 116.32 2kay h THR 14 Ca -0.00 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.55 2kay h THR 14 Cb 0.49 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.14 2kay h THR 14 CO 0.03 0.47 0.50 0.71 0.37 0.00 0.00 175.52 177.60 2kay h THR 15 N -0.18 1.16 0.66 3.16 1.35 -1.16 -3.18 112.91 114.72 2kay h THR 15 Ca -0.01 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 2kay h THR 15 Cb 0.90 0.10 0.01 0.00 -1.73 0.00 0.00 68.15 67.42 2kay h THR 15 CO 0.06 0.18 -0.32 0.15 -0.25 0.00 0.00 175.52 175.34 2kay h PHE 16 N 0.97 -0.82 0.00 4.73 3.57 -0.55 0.16 116.94 125.00 2kay h PHE 16 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2kay h PHE 16 Cb -0.04 0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2kay h PHE 16 CO -0.00 -0.51 0.00 0.72 -2.23 0.00 0.00 178.31 176.29 2kay n HIS 17 N -5.31 0.00 -0.05 0.41 8.25 -0.59 0.08 115.22 118.01 2kay n HIS 17 Ca -0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.32 2kay n HIS 17 Cb 0.35 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 2kay n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2kay h LYS 18 N 0.00 0.00 -0.19 -0.41 3.64 -1.50 -3.40 116.57 114.71 2kay h LYS 18 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2kay h LYS 18 Cb 0.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kay h LYS 18 CO 0.00 0.00 -0.69 1.88 -2.27 0.00 0.00 179.45 178.37 2kay h TYR 19 N -0.74 1.02 0.00 1.91 0.05 -0.85 -3.28 116.97 115.08 2kay h TYR 19 Ca 0.00 -0.42 -0.01 0.00 0.05 0.00 0.00 58.73 58.35 2kay h TYR 19 Cb 0.32 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 2kay h TYR 19 CO -0.14 1.24 -0.03 1.03 -1.05 0.00 0.00 178.16 179.21 2kay h SER 20 N 0.56 0.00 -1.29 3.88 0.87 -0.52 -3.37 113.55 113.68 2kay h SER 20 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2kay h SER 20 Cb 1.30 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 63.03 2kay h SER 20 CO 0.14 0.03 -0.37 -0.83 -0.53 0.00 0.00 176.83 175.27 2kay s GLY 21 N -4.15 -0.87 0.16 5.77 0.00 -1.24 -4.27 107.32 102.72 2kay s GLY 21 Ca -0.04 1.28 0.27 0.00 0.00 0.00 0.00 44.72 46.23 2kay s GLY 21 CO 0.51 3.24 1.81 0.54 0.00 0.00 0.00 173.10 179.20 2kay n ARG 22 N 5.40 0.19 -1.00 2.90 3.00 -1.25 -4.81 116.66 121.11 2kay n ARG 22 Ca -0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.85 58.00 2kay n ARG 22 Cb 0.51 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 31.24 2kay n ARG 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2kay n GLU 23 N -2.07 0.00 -4.18 5.56 0.28 -1.26 -5.06 120.64 113.90 2kay n GLU 23 Ca 0.06 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.70 2kay n GLU 23 Cb 0.40 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.22 2kay n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kay n GLY 24 N 0.00 -0.38 1.64 -1.84 0.00 -1.26 -3.99 105.19 99.36 2kay n GLY 24 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2kay n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kay n SER 25 N -2.46 -7.61 0.24 1.61 2.88 -1.26 -4.44 113.62 102.57 2kay n SER 25 Ca -0.23 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.60 2kay n SER 25 Cb 0.62 -4.63 0.63 0.00 -0.75 0.00 0.00 64.21 60.09 2kay n SER 25 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kay h LYS 26 N 1.84 0.00 -0.01 -1.46 1.79 -1.75 -3.30 116.57 113.68 2kay h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kay h LYS 26 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2kay h LYS 26 CO 0.00 0.00 -0.59 1.28 -1.08 0.00 0.00 179.45 179.06 2kay n LEU 27 N -2.87 1.53 -3.93 2.94 4.77 -1.26 -4.02 117.00 114.16 2kay n LEU 27 Ca 0.01 -0.67 -0.15 0.00 -0.03 0.00 0.00 56.01 55.17 2kay n LEU 27 Cb 0.29 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2kay n LEU 27 CO 0.25 0.31 -0.39 0.42 -1.33 0.00 0.00 177.39 176.65 2kay s THR 28 N -2.44 0.31 -0.54 -5.08 -4.23 -1.24 -3.56 115.64 98.85 2kay s THR 28 Ca 0.13 -0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.30 2kay s THR 28 Cb 0.15 -0.27 0.08 0.00 1.34 0.00 0.00 72.50 73.80 2kay s THR 28 CO 0.60 0.09 0.65 -0.76 -0.54 0.00 0.00 174.62 174.66 2kay s LEU 29 N -0.03 5.15 0.74 4.79 1.02 -0.25 -4.60 118.68 125.49 2kay s LEU 29 Ca 0.01 -1.13 -0.11 0.00 0.02 0.00 0.00 54.13 52.92 2kay s LEU 29 Cb -0.02 -2.38 0.03 0.00 0.02 0.00 0.00 46.19 43.84 2kay s LEU 29 CO -0.00 -0.97 1.07 -0.55 0.02 0.00 0.00 176.35 175.92 2kay s SER 30 N 3.06 4.99 0.30 2.29 0.15 -1.26 -0.42 113.70 122.81 2kay s SER 30 Ca 0.13 1.57 0.01 0.00 0.70 0.00 0.00 55.95 58.36 2kay s SER 30 Cb -0.21 -2.38 0.73 0.00 -1.71 0.00 0.00 66.02 62.45 2kay s SER 30 CO 0.09 -1.69 1.53 -1.14 1.20 0.00 0.00 173.24 173.24 2kay n ARG 31 N -3.28 -0.08 -0.10 5.44 0.63 -1.23 -0.72 116.66 117.32 2kay n ARG 31 Ca 0.08 1.47 -0.13 0.00 -0.92 0.00 0.00 57.85 58.35 2kay n ARG 31 Cb 0.54 -2.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.09 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 0.75 -0.13 -0.14 -0.00 -1.93 -0.83 116.57 114.29 2kay h LYS 32 Ca 0.59 -0.37 0.00 0.00 -0.00 0.00 0.00 60.65 60.86 2kay h LYS 32 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.42 2kay h LYS 32 CO -0.93 0.99 0.08 0.93 -0.00 0.00 0.00 179.45 180.53 2kay h GLU 33 N 0.51 0.17 -0.61 0.07 5.08 -1.26 -2.75 114.58 115.79 2kay h GLU 33 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2kay h GLU 33 Cb 0.83 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2kay h GLU 33 CO 0.07 0.14 0.34 1.25 -1.00 0.00 0.00 179.01 179.81 2kay h LEU 34 N 0.15 0.75 -0.76 1.33 5.85 -1.29 -2.95 115.31 118.40 2kay h LEU 34 Ca 0.05 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2kay h LEU 34 Cb 0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2kay h LEU 34 CO -0.01 0.62 -0.09 0.50 -0.34 0.00 0.00 178.44 179.12 2kay h LYS 35 N 0.83 0.85 0.23 1.25 3.64 -0.89 -0.18 116.57 122.29 2kay h LYS 35 Ca 0.22 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kay h LYS 35 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2kay h LYS 35 CO -0.04 0.91 -0.25 1.49 -2.27 0.00 0.00 179.45 179.30 2kay h GLU 36 N 0.77 -0.49 0.33 1.90 4.81 -1.49 -2.02 114.58 118.39 2kay h GLU 36 Ca 0.13 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2kay h GLU 36 Cb 0.59 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2kay h GLU 36 CO 0.04 -0.33 -0.48 1.25 -0.73 0.00 0.00 179.01 178.76 2kay h LEU 37 N -0.51 -1.37 -0.01 1.64 6.46 -1.24 -0.97 115.31 119.31 2kay h LEU 37 Ca 0.00 0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2kay h LEU 37 Cb 0.49 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 2kay h LEU 37 CO -0.07 -0.58 -0.12 0.40 -0.62 0.00 0.00 178.44 177.45 2kay h ILE 38 N -0.84 0.71 -0.51 4.05 2.04 -1.13 -0.86 117.51 120.96 2kay h ILE 38 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2kay h ILE 38 Cb 0.77 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2kay h ILE 38 CO -0.14 0.00 0.22 0.50 0.00 0.00 0.00 178.15 178.73 2kay h LYS 39 N -0.19 0.73 -0.30 2.37 3.64 -1.24 0.85 116.57 122.43 2kay h LYS 39 Ca 0.05 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2kay h LYS 39 Cb 0.25 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2kay h LYS 39 CO -0.12 0.58 -0.17 0.87 -2.27 0.00 0.00 179.45 178.35 2kay h LYS 40 N 0.72 0.53 0.06 1.90 1.57 -0.76 -3.21 116.57 117.39 2kay h LYS 40 Ca 0.18 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kay h LYS 40 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kay h LYS 40 CO -0.02 0.68 -0.03 1.49 -0.57 0.00 0.00 179.45 181.00 2kay h GLU 41 N 0.48 -0.08 -0.98 3.15 4.81 0.06 -3.32 114.58 118.70 2kay h GLU 41 Ca 0.08 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2kay h GLU 41 Cb 0.57 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2kay h GLU 41 CO 0.04 0.47 0.04 1.28 -0.73 0.00 0.00 179.01 180.11 2kay n LEU 42 N -4.84 2.61 0.00 1.64 7.99 0.17 -4.53 117.00 120.03 2kay n LEU 42 Ca -0.08 -1.32 0.00 0.00 -0.01 0.00 0.00 56.01 54.60 2kay n LEU 42 Cb 0.29 -0.53 0.01 0.00 -0.11 0.00 0.00 43.42 43.09 2kay n LEU 42 CO 0.31 0.45 0.11 0.00 -1.51 0.00 0.00 177.39 176.75 2kay h LEU 44 N 0.00 0.00 0.00 0.00 4.07 -1.92 -3.46 115.31 114.00 2kay h LEU 44 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kay h LEU 44 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2kay h LEU 44 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 2kay n GLY 45 N -1.07 1.72 1.71 0.83 0.00 -0.88 -5.15 105.19 102.34 2kay n GLY 45 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2kay n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kay n GLU 46 N -0.07 -0.01 -0.18 1.61 -0.58 -1.10 -4.75 120.64 115.56 2kay n GLU 46 Ca 0.00 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.65 2kay n GLU 46 Cb 0.00 -0.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 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 -1.96 0.00 0.00 3.49 2.81 -1.26 -4.87 117.12 115.32 2kay n MET 47 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2kay n MET 47 Cb 0.26 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 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 -2.00 0.00 0.00 0.03 4.01 -1.26 -2.03 118.16 116.91 2kay n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2kay n LYS 48 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2kay n LYS 48 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2kay n GLU 49 N 0.00 0.00 0.17 1.97 -0.58 -1.26 -1.09 120.64 119.86 2kay n GLU 49 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2kay n GLU 49 Cb 0.00 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.23 2kay n GLU 49 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kay h SER 50 N 0.00 0.00 0.82 1.62 0.87 -2.01 -3.07 113.55 111.77 2kay h SER 50 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kay h SER 50 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kay h SER 50 CO 0.00 0.00 0.00 -0.24 -0.53 0.00 0.00 176.83 176.06 2kay n SER 51 N -2.67 0.10 0.16 6.23 2.88 -0.25 -1.22 113.62 118.85 2kay n SER 51 Ca 0.04 0.52 0.02 0.00 -1.33 0.00 0.00 58.87 58.12 2kay n SER 51 Cb 0.43 -0.54 0.21 0.00 -0.75 0.00 0.00 64.21 63.55 2kay n SER 51 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2kay h ILE 52 N 0.00 1.11 0.00 2.46 2.04 -1.31 -2.95 117.51 118.88 2kay h ILE 52 Ca 0.00 -1.96 -0.31 0.00 1.00 0.00 0.00 64.86 63.59 2kay h ILE 52 Cb 0.41 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 2kay h ILE 52 CO 0.00 0.51 -1.84 0.47 0.00 0.00 0.00 178.15 177.29 2kay n ASP 53 N -3.55 0.75 -0.08 1.72 8.00 -0.36 -0.98 116.55 122.05 2kay n ASP 53 Ca -0.00 0.34 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 2kay n ASP 53 Cb 0.61 0.10 0.07 0.00 -0.02 0.00 0.00 41.12 41.88 2kay n ASP 53 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kay h ASP 54 N 0.00 0.81 -0.42 -2.24 3.58 -1.46 -2.62 116.42 114.08 2kay h ASP 54 Ca -0.34 -0.32 0.04 0.00 0.42 0.00 0.00 57.03 56.83 2kay h ASP 54 Cb 2.06 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.85 2kay h ASP 54 CO 0.07 1.04 0.19 0.25 -2.88 0.00 0.00 179.24 177.91 2kay h LEU 55 N 0.67 0.27 -0.52 2.28 5.85 -1.55 -1.76 115.31 120.55 2kay h LEU 55 Ca 0.08 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2kay h LEU 55 Cb 0.81 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 2kay h LEU 55 CO 0.07 0.20 -0.00 0.24 -0.34 0.00 0.00 178.44 178.60 2kay h MET 56 N 0.39 0.11 0.00 1.25 2.86 -0.94 0.93 114.93 119.53 2kay h MET 56 Ca 0.18 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2kay h MET 56 Cb 0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2kay h MET 56 CO -0.14 0.07 -0.00 -0.22 1.06 0.00 0.00 176.91 177.68 2kay h LYS 57 N 0.12 0.00 0.21 1.72 3.11 -1.08 0.14 116.57 120.79 2kay h LYS 57 Ca 0.26 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.77 2kay h LYS 57 Cb 0.40 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.65 2kay h LYS 57 CO -0.44 0.00 -1.56 1.03 -2.81 0.00 0.00 179.45 175.68 2kay h SER 58 N 0.00 0.70 0.37 4.20 0.87 -0.01 -3.41 113.55 116.26 2kay h SER 58 Ca -0.00 -0.85 -0.32 0.00 -1.23 0.00 0.00 61.79 59.39 2kay h SER 58 Cb 0.04 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2kay h SER 58 CO 0.00 1.69 -1.57 -0.07 -0.53 0.00 0.00 176.83 176.35 2kay h LEU 59 N 0.12 0.52 -9.39 2.23 3.38 0.14 -3.45 115.31 108.86 2kay h LEU 59 Ca -0.28 -0.69 -0.54 0.00 0.09 0.00 0.00 57.88 56.46 2kay h LEU 59 Cb 2.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 2kay h LEU 59 CO 0.23 1.57 0.44 -0.62 0.09 0.00 0.00 178.44 180.15 2kay s ASP 60 N -7.16 7.30 -0.02 -0.43 -1.08 0.38 -4.65 116.67 111.02 2kay s ASP 60 Ca -0.11 1.69 0.20 0.00 -0.52 0.00 0.00 52.55 53.81 2kay s ASP 60 Cb 0.06 -2.57 -0.29 0.00 -1.46 0.00 0.00 42.92 38.67 2kay s ASP 60 CO 0.87 -0.33 0.53 0.29 0.52 0.00 0.00 175.17 177.05 2kay n LYS 61 N 4.14 0.60 -0.02 4.34 4.01 -1.26 -4.70 118.16 125.27 2kay n LYS 61 Ca 0.07 -0.14 -0.01 0.00 -0.51 0.00 0.00 58.31 57.72 2kay n LYS 61 Cb 0.50 -1.46 -0.13 0.00 -0.51 0.00 0.00 35.03 33.43 2kay n LYS 61 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2kay n ASN 62 N -2.01 0.41 -2.94 4.39 5.03 -1.26 -4.99 115.26 113.89 2kay n ASN 62 Ca -0.02 0.18 -0.21 0.00 0.87 0.00 0.00 54.58 55.40 2kay n ASN 62 Cb 0.47 0.79 0.04 0.00 -1.02 0.00 0.00 39.78 40.07 2kay n ASN 62 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2kay n SER 63 N -2.72 -5.88 0.02 6.41 7.64 -1.26 -4.94 113.62 112.88 2kay n SER 63 Ca -0.16 -0.33 0.12 0.00 1.01 0.00 0.00 58.87 59.51 2kay n SER 63 Cb 0.89 -4.65 0.12 0.00 -1.01 0.00 0.00 64.21 59.57 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 -2.31 0.62 -0.99 6.43 5.68 -1.26 -4.98 116.55 119.74 2kay n ASP 64 Ca -0.08 -0.29 -0.13 0.00 -0.50 0.00 0.00 54.79 53.79 2kay n ASP 64 Cb 0.60 0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 41.02 2kay n ASP 64 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kay n GLN 65 N -1.71 -1.13 -3.92 0.11 3.00 -1.26 -5.00 117.38 107.47 2kay n GLN 65 Ca 0.04 0.94 -0.13 0.00 -0.01 0.00 0.00 57.00 57.84 2kay n GLN 65 Cb 0.38 -5.08 -0.14 0.00 0.00 0.00 0.00 30.24 25.40 2kay n GLN 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2kay s GLU 66 N -3.02 0.09 -0.62 -1.09 -1.05 -1.26 -3.53 118.70 108.22 2kay s GLU 66 Ca 0.00 -0.03 -0.17 0.00 -0.15 0.00 0.00 54.97 54.63 2kay s GLU 66 Cb 0.00 -0.10 0.14 0.00 -0.44 0.00 0.00 34.13 33.73 2kay s GLU 66 CO 0.00 0.01 0.63 0.42 0.95 0.00 0.00 175.26 177.27 2kay s ILE 67 N 0.04 5.16 0.37 1.83 1.01 0.44 -4.87 121.20 125.18 2kay s ILE 67 Ca -0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 60.65 58.86 2kay s ILE 67 Cb -0.01 -4.42 -0.13 0.00 0.01 0.00 0.00 42.46 37.91 2kay s ILE 67 CO -0.00 -0.99 0.73 -0.67 0.00 0.00 0.00 174.94 174.00 2kay n ASP 68 N 5.36 -0.07 -0.35 3.58 -0.08 -1.26 -1.10 116.55 122.63 2kay n ASP 68 Ca -0.06 1.01 0.25 0.00 -1.51 0.00 0.00 54.79 54.48 2kay n ASP 68 Cb 0.42 -1.18 0.52 0.00 2.34 0.00 0.00 41.12 43.23 2kay n ASP 68 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2kay h PHE 69 N 1.20 0.69 0.00 -0.67 3.04 -1.97 0.20 116.94 119.43 2kay h PHE 69 Ca -0.40 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.48 2kay h PHE 69 Cb 1.38 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 2kay h PHE 69 CO 0.40 -0.02 -0.47 -0.22 -2.02 0.00 0.00 178.31 175.99 2kay h LYS 70 N 0.34 0.00 0.14 1.11 3.64 -1.93 -0.34 116.57 119.54 2kay h LYS 70 Ca 0.66 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.03 2kay h LYS 70 Cb 1.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 2kay h LYS 70 CO -0.37 0.47 -0.07 0.93 -2.27 0.00 0.00 179.45 178.14 2kay h GLU 71 N 0.00 -0.18 -0.34 1.90 5.08 -1.05 -3.36 114.58 116.63 2kay h GLU 71 Ca -0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2kay h GLU 71 Cb 0.85 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2kay h GLU 71 CO 0.06 0.25 0.37 -0.92 -1.00 0.00 0.00 179.01 177.78 2kay h TYR 72 N -0.90 0.00 -0.17 4.33 3.20 -0.66 0.11 116.97 122.89 2kay h TYR 72 Ca -0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2kay h TYR 72 Cb 0.52 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2kay h TYR 72 CO 0.09 0.00 0.00 1.03 -1.64 0.00 0.00 178.16 177.64 2kay h SER 73 N 0.00 0.21 1.18 -2.11 0.87 -1.20 -2.86 113.55 109.64 2kay h SER 73 Ca 0.16 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2kay h SER 73 Cb 0.91 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2kay h SER 73 CO -0.00 0.26 -0.28 1.62 -0.53 0.00 0.00 176.83 177.90 2kay h VAL 74 N 0.24 0.58 0.06 2.23 3.04 -0.97 -1.75 116.25 119.69 2kay h VAL 74 Ca 0.06 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.33 2kay h VAL 74 Cb 0.16 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2kay h VAL 74 CO 0.00 0.27 -0.03 0.15 -1.01 0.00 0.00 177.57 176.96 2kay h PHE 75 N 0.00 -0.08 -0.87 3.17 3.57 -1.63 -0.60 116.94 120.50 2kay h PHE 75 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2kay h PHE 75 Cb 0.95 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 2kay h PHE 75 CO 0.00 0.12 0.57 -0.07 -2.23 0.00 0.00 178.31 176.70 2kay h LEU 76 N -0.27 0.96 0.19 0.59 3.38 -1.48 -0.78 115.31 117.91 2kay h LEU 76 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kay h LEU 76 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kay h LEU 76 CO 0.01 0.68 -0.13 0.74 0.09 0.00 0.00 178.44 179.83 2kay h THR 77 N 1.13 0.71 -0.51 0.22 2.02 -1.27 -1.31 112.91 113.90 2kay h THR 77 Ca 0.33 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.56 2kay h THR 77 Cb -0.07 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2kay h THR 77 CO -0.09 0.00 0.24 0.24 0.37 0.00 0.00 175.52 176.28 2kay h MET 78 N -0.33 0.45 -0.25 6.66 2.86 -0.57 -0.31 114.93 123.44 2kay h MET 78 Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2kay h MET 78 Cb 0.28 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2kay h MET 78 CO 0.00 0.30 0.11 -0.07 1.06 0.00 0.00 176.91 178.31 2kay h LEU 79 N 0.46 0.33 -1.15 1.22 3.38 -1.11 -2.07 115.31 116.37 2kay h LEU 79 Ca 0.23 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2kay h LEU 79 Cb 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2kay h LEU 79 CO -0.19 0.37 -0.02 0.00 0.09 0.00 0.00 178.44 178.69 2kay h MET 81 N 0.54 0.83 -0.28 0.00 2.86 -0.94 -1.81 114.93 116.12 2kay h MET 81 Ca 0.11 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 2kay h MET 81 Cb 0.38 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2kay h MET 81 CO 0.01 0.85 -0.30 0.00 1.06 0.00 0.00 176.91 178.54 2kay h ALA 82 N 0.95 0.95 0.00 6.32 0.00 -1.01 -2.64 119.26 123.83 2kay h ALA 82 Ca 0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2kay h ALA 82 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kay h ALA 82 CO 0.02 0.61 -0.86 1.88 0.00 0.00 0.00 179.25 180.90 2kay h TYR 83 N 0.50 0.02 -0.12 0.00 0.05 -1.30 -0.50 116.97 115.63 2kay h TYR 83 Ca 0.06 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.84 2kay h TYR 83 Cb 0.77 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2kay h TYR 83 CO 0.03 0.86 0.02 -0.97 -1.05 0.00 0.00 178.16 177.05 2kay h ASN 84 N 0.01 -0.00 0.03 3.88 -1.24 -1.27 -2.58 115.58 114.41 2kay h ASN 84 Ca -0.01 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 2kay h ASN 84 Cb 1.51 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.58 2kay h ASN 84 CO 0.11 0.02 -0.23 0.44 -1.29 0.00 0.00 177.43 176.48 2kay h ASP 85 N 0.07 0.33 -0.45 1.15 5.19 -1.44 -2.99 116.42 118.28 2kay h ASP 85 Ca 0.06 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2kay h ASP 85 Cb 0.05 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 2kay h ASP 85 CO -0.08 0.57 0.30 0.15 -3.12 0.00 0.00 179.24 177.07 2kay h PHE 86 N 0.31 0.57 -0.33 4.55 3.04 -0.92 -2.64 116.94 121.51 2kay h PHE 86 Ca 0.05 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 2kay h PHE 86 Cb 0.58 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 2kay h PHE 86 CO 0.01 0.36 0.04 0.35 -2.02 0.00 0.00 178.31 177.05 2kay h PHE 87 N 0.61 0.51 0.00 0.41 3.04 -1.34 -2.45 116.94 117.72 2kay h PHE 87 Ca 0.17 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2kay h PHE 87 Cb -0.07 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.29 2kay h PHE 87 CO -0.04 0.48 0.00 1.28 -2.02 0.00 0.00 178.31 178.00 2kay n LEU 88 N -4.32 0.00 -0.80 0.59 4.77 -1.01 -0.81 117.00 115.42 2kay n LEU 88 Ca 0.02 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 2kay n LEU 88 Cb 0.21 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 2kay n LEU 88 CO 0.38 -0.10 0.53 -0.62 -1.33 0.00 0.00 177.39 176.25 2kay n GLU 89 N -1.39 1.92 0.03 3.23 -0.58 -0.93 -4.38 120.64 118.54 2kay n GLU 89 Ca 0.08 -1.63 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 2kay n GLU 89 Cb 0.21 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.96 0.52 -1.91 1.62 -0.08 -0.93 -4.79 116.55 111.94 2kay n ASP 90 Ca 0.12 0.08 -0.10 0.00 -1.51 0.00 0.00 54.79 53.38 2kay n ASP 90 Cb 0.53 -0.15 -0.14 0.00 2.34 0.00 0.00 41.12 43.71 2kay n ASP 90 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kay n ASN 91 N -3.00 5.19 -0.53 1.67 5.03 0.01 -5.12 115.26 118.51 2kay n ASN 91 Ca 0.00 -2.45 0.14 0.00 0.87 0.00 0.00 54.58 53.14 2kay n ASN 91 Cb 0.00 -1.35 0.48 0.00 -1.02 0.00 0.00 39.78 37.90 2kay n ASN 91 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72