#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 -4.09 0.03 4.71 -1.26 -5.11 120.64 114.91 2kay n GLU 2 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 2kay n GLU 2 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 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 0.57 0.58 0.07 2.62 -4.23 -1.26 -5.04 115.64 108.95 2kay s THR 3 Ca 0.00 -1.35 0.32 0.00 -1.18 0.00 0.00 61.69 59.48 2kay s THR 3 Cb 0.00 -0.95 0.34 0.00 1.34 0.00 0.00 72.50 73.23 2kay s THR 3 CO 0.00 -0.54 1.97 1.55 -0.54 0.00 0.00 174.62 177.05 2kay h PRO 4 N 4.00 0.00 0.10 3.99 0.13 -1.99 -1.51 132.00 136.72 2kay h PRO 4 Ca -0.36 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.52 2kay h PRO 4 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kay h PRO 4 CO 0.48 0.00 -1.29 1.25 -0.23 0.00 0.00 178.00 178.21 2kay h LEU 5 N 0.00 0.33 -0.14 1.56 5.85 -1.98 -1.13 115.31 119.80 2kay h LEU 5 Ca 0.00 -0.84 0.02 0.00 0.84 0.00 0.00 57.88 57.90 2kay h LEU 5 Cb 0.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kay h LEU 5 CO 0.00 1.56 0.01 -0.08 -0.34 0.00 0.00 178.44 179.60 2kay h GLU 6 N -0.41 0.06 -0.12 1.25 4.22 -1.97 -1.84 114.58 115.77 2kay h GLU 6 Ca -0.28 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.19 2kay h GLU 6 Cb 1.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 2kay h GLU 6 CO 0.04 0.04 0.09 0.87 -2.18 0.00 0.00 179.01 177.86 2kay h LYS 7 N 0.07 0.00 0.08 1.92 1.79 -1.36 0.10 116.57 119.16 2kay h LYS 7 Ca 0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kay h LYS 7 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2kay h LYS 7 CO -0.10 0.00 -0.04 0.00 -1.08 0.00 0.00 179.45 178.24 2kay h ALA 8 N 1.94 -0.11 -0.34 3.86 0.00 -0.71 0.24 119.26 124.13 2kay h ALA 8 Ca 0.06 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2kay h ALA 8 Cb 0.23 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2kay h ALA 8 CO -0.00 -0.39 0.07 -0.07 0.00 0.00 0.00 179.25 178.85 2kay h LEU 9 N -0.45 0.01 -0.36 0.00 3.38 -0.51 0.58 115.31 117.96 2kay h LEU 9 Ca -0.01 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2kay h LEU 9 Cb 0.38 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2kay h LEU 9 CO 0.02 0.04 -0.09 0.74 0.09 0.00 0.00 178.44 179.24 2kay h THR 10 N 0.18 0.64 -0.39 0.22 2.02 -1.05 -1.40 112.91 113.14 2kay h THR 10 Ca 0.16 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2kay h THR 10 Cb 0.18 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2kay h THR 10 CO -0.22 0.00 0.22 0.74 0.37 0.00 0.00 175.52 176.63 2kay h THR 11 N 0.01 1.14 -0.40 3.16 2.02 -0.15 0.95 112.91 119.64 2kay h THR 11 Ca 0.17 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 67.07 2kay h THR 11 Cb 0.27 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2kay h THR 11 CO -0.37 0.15 0.04 0.24 0.37 0.00 0.00 175.52 175.94 2kay h MET 12 N 0.50 0.15 0.06 6.66 2.07 -0.54 -0.54 114.93 123.29 2kay h MET 12 Ca 0.14 -0.01 -0.24 0.00 -2.07 0.00 0.00 59.70 57.52 2kay h MET 12 Cb 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 2kay h MET 12 CO -0.02 0.10 -1.08 0.28 1.07 0.00 0.00 176.91 177.25 2kay h VAL 13 N 0.15 1.52 0.31 -2.22 2.07 -1.05 -2.40 116.25 114.62 2kay h VAL 13 Ca 0.20 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.78 2kay h VAL 13 Cb 0.26 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2kay h VAL 13 CO -0.29 0.85 -0.32 0.74 0.02 0.00 0.00 177.57 178.58 2kay h THR 14 N 0.09 0.34 -0.17 2.57 2.02 -0.67 -2.69 112.91 114.40 2kay h THR 14 Ca -0.09 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2kay h THR 14 Cb 1.78 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2kay h THR 14 CO 0.17 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.74 2kay h THR 15 N -0.65 1.28 -0.33 3.16 1.03 -1.12 -2.38 112.91 113.90 2kay h THR 15 Ca -0.01 -1.34 0.06 0.00 -0.01 0.00 0.00 66.41 65.10 2kay h THR 15 Cb 0.60 1.50 -0.05 0.00 -1.07 0.00 0.00 68.15 69.13 2kay h THR 15 CO -0.07 0.41 0.02 0.15 -0.01 0.00 0.00 175.52 176.02 2kay h PHE 16 N 0.30 0.02 -0.35 0.00 3.57 -1.35 -2.33 116.94 116.80 2kay h PHE 16 Ca 0.04 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2kay h PHE 16 Cb 0.72 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2kay h PHE 16 CO 0.02 -0.04 -0.04 0.45 -2.23 0.00 0.00 178.31 176.47 2kay h HIS 17 N 0.12 0.60 0.00 0.41 3.86 -1.11 -1.41 115.15 117.62 2kay h HIS 17 Ca 0.16 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2kay h HIS 17 Cb 0.20 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 2kay h HIS 17 CO -0.22 0.60 -0.03 -0.22 0.86 0.00 0.00 177.93 178.93 2kay h LYS 18 N 0.54 0.00 0.01 2.45 3.11 -0.94 -1.42 116.57 120.31 2kay h LYS 18 Ca 0.11 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.67 2kay h LYS 18 Cb 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.59 2kay h LYS 18 CO 0.02 0.03 -1.59 1.88 -2.81 0.00 0.00 179.45 176.98 2kay h TYR 19 N 0.00 0.03 0.00 1.91 0.05 -1.10 -3.42 116.97 114.44 2kay h TYR 19 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kay h TYR 19 Cb 0.08 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2kay h TYR 19 CO 0.00 1.04 0.00 0.66 -1.05 0.00 0.00 178.16 178.81 2kay h SER 20 N 0.00 0.00 0.01 3.88 4.64 -0.19 -2.70 113.55 119.19 2kay h SER 20 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2kay h SER 20 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 2kay h SER 20 CO 0.09 0.00 -0.75 0.61 -0.87 0.00 0.00 176.83 175.91 2kay n GLY 21 N -1.07 -0.55 2.16 -0.77 0.00 -1.24 -4.11 105.19 99.61 2kay n GLY 21 Ca -0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 2kay n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kay n ARG 22 N -0.85 2.21 0.00 1.61 1.74 -1.02 -4.79 116.66 115.57 2kay n ARG 22 Ca 0.06 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.93 2kay n ARG 22 Cb 0.39 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 2kay n ARG 22 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kay n GLU 23 N 2.93 0.00 0.00 5.56 2.13 -1.26 -4.37 120.64 125.62 2kay n GLU 23 Ca 0.47 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2kay n GLU 23 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 2kay n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kay n GLY 24 N -1.06 0.00 0.78 8.31 0.00 -1.26 -4.82 105.19 107.14 2kay n GLY 24 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.57 -4.24 -3.06 1.61 7.64 -1.26 -4.56 113.62 110.32 2kay n SER 25 Ca 0.00 0.87 -0.40 0.00 1.01 0.00 0.00 58.87 60.35 2kay n SER 25 Cb 0.00 -2.41 0.03 0.00 -1.01 0.00 0.00 64.21 60.82 2kay n SER 25 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kay n LYS 26 N -2.71 3.36 0.20 1.43 4.81 -1.26 -4.21 118.16 119.77 2kay n LYS 26 Ca -0.03 -3.82 0.00 0.00 -0.87 0.00 0.00 58.31 53.59 2kay n LYS 26 Cb 0.31 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.05 2kay n LYS 26 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kay n LEU 27 N -0.43 -3.53 -4.87 3.14 0.00 -1.26 -4.98 117.00 105.06 2kay n LEU 27 Ca 0.52 0.78 -0.30 0.00 0.00 0.00 0.00 56.01 57.00 2kay n LEU 27 Cb 0.26 3.36 -0.02 0.00 0.00 0.00 0.00 43.42 47.01 2kay n LEU 27 CO 0.50 0.19 0.51 0.42 0.00 0.00 0.00 177.39 179.02 2kay s THR 28 N -2.00 4.75 -0.77 1.96 -4.23 -1.26 -4.77 115.64 109.32 2kay s THR 28 Ca 0.00 0.68 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 2kay s THR 28 Cb 0.00 -3.77 0.12 0.00 1.34 0.00 0.00 72.50 70.20 2kay s THR 28 CO 0.00 -0.67 0.93 -0.76 -0.54 0.00 0.00 174.62 173.58 2kay s LEU 29 N -4.16 5.24 0.14 4.79 1.43 -1.20 -4.34 118.68 120.57 2kay s LEU 29 Ca 0.52 -1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 51.57 2kay s LEU 29 Cb -0.10 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 2kay s LEU 29 CO 0.36 -1.09 1.16 -0.44 0.23 0.00 0.00 176.35 176.57 2kay s SER 30 N 3.46 7.15 0.00 2.29 0.01 -1.26 -2.64 113.70 122.71 2kay s SER 30 Ca 0.23 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2kay s SER 30 Cb -0.13 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2kay s SER 30 CO -0.01 -0.35 0.00 -1.14 0.41 0.00 0.00 173.24 172.15 2kay n ARG 31 N 2.95 0.00 -0.13 12.44 3.00 -0.95 -0.64 116.66 133.33 2kay n ARG 31 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.89 2kay n ARG 31 Cb 0.46 0.00 0.23 0.00 0.00 0.00 0.00 32.46 33.15 2kay n ARG 31 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2kay h LYS 32 N 0.00 0.82 -0.86 -0.14 6.56 -1.91 -2.51 116.57 118.54 2kay h LYS 32 Ca 0.00 -0.13 0.05 0.00 -1.06 0.00 0.00 60.65 59.51 2kay h LYS 32 Cb 0.00 -0.14 -0.06 0.00 -0.57 0.00 0.00 32.23 31.46 2kay h LYS 32 CO 0.00 0.68 0.54 0.93 -2.06 0.00 0.00 179.45 179.54 2kay h GLU 33 N 0.81 0.99 -0.58 3.15 5.08 -1.08 -2.03 114.58 120.92 2kay h GLU 33 Ca 0.19 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2kay h GLU 33 Cb 0.17 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2kay h GLU 33 CO -0.02 0.65 0.02 1.25 -1.00 0.00 0.00 179.01 179.91 2kay h LEU 34 N 1.02 1.00 -0.57 1.33 7.12 -1.55 -1.30 115.31 122.36 2kay h LEU 34 Ca 0.36 -0.30 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 2kay h LEU 34 Cb 0.11 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 2kay h LEU 34 CO -0.15 1.05 0.08 0.11 -0.13 0.00 0.00 178.44 179.40 2kay h LYS 35 N 0.91 0.95 -0.07 1.25 1.57 -1.17 -2.44 116.57 117.57 2kay h LYS 35 Ca 0.17 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2kay h LYS 35 Cb 0.53 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2kay h LYS 35 CO 0.03 0.91 -0.11 1.49 -0.57 0.00 0.00 179.45 181.19 2kay h GLU 36 N 0.84 -0.16 0.12 3.15 4.81 -1.23 -2.82 114.58 119.30 2kay h GLU 36 Ca 0.17 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2kay h GLU 36 Cb 0.43 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2kay h GLU 36 CO 0.01 -0.10 -0.42 1.25 -0.73 0.00 0.00 179.01 179.01 2kay h LEU 37 N -0.16 -1.25 -0.54 1.64 7.12 -1.03 -2.27 115.31 118.80 2kay h LEU 37 Ca 0.07 0.14 0.08 0.00 0.13 0.00 0.00 57.88 58.29 2kay h LEU 37 Cb 0.25 0.47 -0.07 0.00 -0.53 0.00 0.00 40.66 40.79 2kay h LEU 37 CO -0.16 -0.49 0.19 0.40 -0.13 0.00 0.00 178.44 178.24 2kay h ILE 38 N -0.66 0.79 0.00 4.05 2.04 -1.50 0.21 117.51 122.43 2kay h ILE 38 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2kay h ILE 38 Cb 0.69 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2kay h ILE 38 CO -0.24 0.07 0.00 0.29 0.00 0.00 0.00 178.15 178.26 2kay n LYS 39 N -5.02 0.02 -0.00 2.37 5.02 -0.99 -1.34 118.16 118.22 2kay n LYS 39 Ca 0.07 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 2kay n LYS 39 Cb 0.24 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2kay n LYS 39 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kay n LYS 40 N -1.48 4.30 0.02 1.97 4.01 -0.45 -4.22 118.16 122.31 2kay n LYS 40 Ca 0.04 -0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 2kay n LYS 40 Cb 0.17 -0.73 -0.09 0.00 -0.51 0.00 0.00 35.03 33.86 2kay n LYS 40 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2kay h GLU 41 N 0.00 -0.11 -5.15 1.97 4.57 -0.53 -3.45 114.58 111.88 2kay h GLU 41 Ca 0.00 0.01 -0.66 0.00 -1.18 0.00 0.00 59.36 57.52 2kay h GLU 41 Cb 0.05 0.02 -0.30 0.00 -0.16 0.00 0.00 28.75 28.37 2kay h GLU 41 CO 0.00 0.39 -0.79 -0.51 -1.18 0.00 0.00 179.01 176.92 2kay s LEU 42 N -9.08 2.53 0.00 1.64 2.01 -0.45 -5.03 118.68 110.30 2kay s LEU 42 Ca -0.15 -0.47 0.14 0.00 0.01 0.00 0.00 54.13 53.66 2kay s LEU 42 Cb 0.01 -1.59 -0.12 0.00 0.01 0.00 0.00 46.19 44.50 2kay s LEU 42 CO 0.60 0.06 0.62 0.00 1.01 0.00 0.00 176.35 178.64 2kay s LEU 44 N -2.48 3.24 0.00 0.00 2.34 -1.26 -4.90 118.68 115.61 2kay s LEU 44 Ca 0.07 2.39 0.00 0.00 0.06 0.00 0.00 54.13 56.65 2kay s LEU 44 Cb 0.10 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.14 2kay s LEU 44 CO 0.51 -2.47 0.58 0.61 -1.06 0.00 0.00 176.35 174.52 2kay n GLY 45 N 0.50 -0.34 0.10 -3.48 0.00 -1.26 -3.01 105.19 97.70 2kay n GLY 45 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2kay n GLY 45 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kay h GLU 46 N 0.07 0.00 -5.38 1.61 4.81 -1.97 -3.43 114.58 110.28 2kay h GLU 46 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 2kay h GLU 46 Cb 0.06 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.30 2kay h GLU 46 CO 0.00 0.51 1.29 -1.64 -0.73 0.00 0.00 179.01 178.44 2kay s MET 47 N -2.84 3.74 0.29 1.92 -1.94 -1.16 -4.76 119.30 114.54 2kay s MET 47 Ca -0.01 -1.77 0.02 0.00 -1.71 0.00 0.00 55.69 52.23 2kay s MET 47 Cb 0.08 -5.15 -0.05 0.00 2.01 0.00 0.00 34.83 31.72 2kay s MET 47 CO 0.80 -1.96 0.09 0.15 -0.01 0.00 0.00 175.02 174.09 2kay s LYS 48 N 3.31 1.53 0.19 2.03 1.02 -1.26 -4.86 119.74 121.70 2kay s LYS 48 Ca 0.41 -1.84 -0.12 0.00 0.02 0.00 0.00 55.97 54.44 2kay s LYS 48 Cb -0.02 -0.48 0.21 0.00 -0.52 0.00 0.00 37.83 37.03 2kay s LYS 48 CO -0.06 -0.28 1.73 0.93 -0.92 0.00 0.00 175.35 176.76 2kay h GLU 49 N 2.25 0.30 0.00 1.68 4.39 -1.97 0.35 114.58 121.58 2kay h GLU 49 Ca -0.39 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 2kay h GLU 49 Cb 1.25 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2kay h GLU 49 CO 0.63 0.20 -0.08 0.77 -1.16 0.00 0.00 179.01 179.36 2kay h SER 50 N 0.31 0.00 -0.38 1.42 0.02 -1.98 0.15 113.55 113.09 2kay h SER 50 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2kay h SER 50 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2kay h SER 50 CO -0.30 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 173.93 2kay n SER 51 N -3.78 2.68 0.00 3.07 3.41 0.04 -4.35 113.62 114.69 2kay n SER 51 Ca -0.02 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2kay n SER 51 Cb 0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2kay n SER 51 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kay n ILE 52 N 0.97 0.00 0.05 -1.33 5.41 -0.21 -4.25 119.36 120.00 2kay n ILE 52 Ca 0.18 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.86 2kay n ILE 52 Cb 0.46 -0.53 -0.11 0.00 -0.71 0.00 0.00 39.64 38.75 2kay n ILE 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2kay h ASP 53 N 0.00 0.00 -0.29 4.38 3.32 -1.03 0.16 116.42 122.96 2kay h ASP 53 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2kay h ASP 53 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2kay h ASP 53 CO 0.00 0.95 -0.02 -0.78 -1.72 0.00 0.00 179.24 177.66 2kay h ASP 54 N 0.00 0.52 -0.95 6.45 1.82 -1.78 -2.79 116.42 119.70 2kay h ASP 54 Ca -0.07 -0.33 0.01 0.00 -0.39 0.00 0.00 57.03 56.25 2kay h ASP 54 Cb 1.79 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.61 2kay h ASP 54 CO 0.11 0.72 0.63 0.25 -1.61 0.00 0.00 179.24 179.34 2kay h LEU 55 N 0.31 1.08 0.16 2.28 5.85 -1.70 0.37 115.31 123.66 2kay h LEU 55 Ca 0.08 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2kay h LEU 55 Cb 0.47 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2kay h LEU 55 CO 0.02 0.77 -0.51 -0.03 -0.34 0.00 0.00 178.44 178.35 2kay h MET 56 N 1.27 -0.74 0.00 1.25 4.05 -0.76 0.18 114.93 120.19 2kay h MET 56 Ca 0.35 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 2kay h MET 56 Cb -0.12 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2kay h MET 56 CO -0.08 -0.49 0.13 -0.22 0.23 0.00 0.00 176.91 176.48 2kay h LYS 57 N -0.76 0.00 0.00 0.39 3.11 -0.77 0.60 116.57 119.14 2kay h LYS 57 Ca -0.01 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.49 2kay h LYS 57 Cb 0.76 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.93 2kay h LYS 57 CO -0.26 0.00 -2.29 0.43 -2.81 0.00 0.00 179.45 174.51 2kay n SER 58 N -2.87 0.09 0.05 4.20 7.64 0.11 -4.47 113.62 118.38 2kay n SER 58 Ca -0.02 0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.68 2kay n SER 58 Cb 0.19 0.94 -0.15 0.00 -1.01 0.00 0.00 64.21 64.19 2kay n SER 58 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kay h LEU 59 N 0.00 0.52 -7.96 -3.43 3.38 -0.38 -3.43 115.31 104.00 2kay h LEU 59 Ca -0.49 -0.91 -0.46 0.00 0.09 0.00 0.00 57.88 56.11 2kay h LEU 59 Cb 2.15 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.68 2kay h LEU 59 CO 0.03 1.60 1.46 -0.62 0.09 0.00 0.00 178.44 181.00 2kay s ASP 60 N -7.14 5.73 0.48 -0.43 2.15 0.18 -4.53 116.67 113.10 2kay s ASP 60 Ca -0.16 -1.86 0.24 0.00 0.43 0.00 0.00 52.55 51.21 2kay s ASP 60 Cb 0.03 -2.58 1.28 0.00 -0.30 0.00 0.00 42.92 41.35 2kay s ASP 60 CO 0.83 -2.33 1.88 0.11 -0.17 0.00 0.00 175.17 175.48 2kay h LYS 61 N 9.09 0.19 0.00 4.34 1.57 -1.87 -0.27 116.57 129.63 2kay h LYS 61 Ca 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2kay h LYS 61 Cb 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2kay h LYS 61 CO 1.31 0.13 -0.11 0.09 -0.57 0.00 0.00 179.45 180.30 2kay n ASN 62 N -4.40 0.38 -3.72 0.86 4.13 -1.26 -4.95 115.26 106.30 2kay n ASN 62 Ca 0.18 0.41 -0.24 0.00 1.68 0.00 0.00 54.58 56.61 2kay n ASN 62 Cb 0.81 -0.45 0.04 0.00 -1.54 0.00 0.00 39.78 38.65 2kay n ASN 62 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kay n SER 63 N -1.80 -3.14 0.00 6.41 2.88 -0.11 -5.02 113.62 112.83 2kay n SER 63 Ca 0.06 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2kay n SER 63 Cb 0.38 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 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 -2.99 0.00 0.00 -3.46 5.75 -1.26 -5.10 116.55 109.49 2kay n ASP 64 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2kay n ASP 64 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.00 -4.02 0.11 6.02 -1.26 -5.07 117.38 113.17 2kay n GLN 65 Ca 0.00 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.59 2kay n GLN 65 Cb 0.00 -0.44 -0.09 0.00 1.02 0.00 0.00 30.24 30.74 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 0.00 3.69 -0.36 -1.09 0.41 -1.26 -2.24 118.70 117.85 2kay s GLU 66 Ca 0.00 -0.29 -0.16 0.00 -0.41 0.00 0.00 54.97 54.11 2kay s GLU 66 Cb 0.00 -3.15 -0.00 0.00 -1.78 0.00 0.00 34.13 29.20 2kay s GLU 66 CO 0.00 0.48 0.40 0.42 -0.49 0.00 0.00 175.26 176.07 2kay s ILE 67 N -0.20 5.12 0.40 -1.63 -1.09 -1.08 -4.96 121.20 117.77 2kay s ILE 67 Ca 0.08 0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.45 2kay s ILE 67 Cb -0.12 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2kay s ILE 67 CO 0.01 -0.19 0.71 -0.62 -1.23 0.00 0.00 174.94 173.62 2kay s ASP 68 N 1.76 6.39 0.28 3.58 -1.08 -1.26 -3.24 116.67 123.09 2kay s ASP 68 Ca 0.13 0.89 0.03 0.00 -0.52 0.00 0.00 52.55 53.08 2kay s ASP 68 Cb -0.16 -2.23 0.67 0.00 -1.46 0.00 0.00 42.92 39.74 2kay s ASP 68 CO 0.12 -0.41 1.73 -0.26 0.52 0.00 0.00 175.17 176.87 2kay h PHE 69 N 0.92 0.76 0.00 -5.34 0.04 -1.98 0.14 116.94 111.48 2kay h PHE 69 Ca -0.47 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.33 2kay h PHE 69 Cb 1.20 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.15 2kay h PHE 69 CO 0.58 0.07 0.00 0.36 -0.60 0.00 0.00 178.31 178.72 2kay n LYS 70 N -4.94 0.06 -0.07 1.51 0.00 -1.26 -0.99 118.16 112.47 2kay n LYS 70 Ca 0.21 0.31 -0.08 0.00 -0.00 0.00 0.00 58.31 58.74 2kay n LYS 70 Cb 0.57 -1.61 -0.05 0.00 -0.00 0.00 0.00 35.03 33.94 2kay n LYS 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2kay h GLU 71 N 0.00 0.00 -0.75 -1.58 5.08 -1.04 -3.43 114.58 112.86 2kay h GLU 71 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 2kay h GLU 71 Cb 0.28 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 2kay h GLU 71 CO 0.00 0.39 0.23 -0.92 -1.00 0.00 0.00 179.01 177.71 2kay h TYR 72 N -1.00 0.38 0.00 4.33 3.20 -0.64 -1.61 116.97 121.63 2kay h TYR 72 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2kay h TYR 72 Cb 0.60 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2kay h TYR 72 CO 0.01 -0.03 0.00 0.43 -1.64 0.00 0.00 178.16 176.93 2kay n SER 73 N -5.10 0.00 -0.15 -2.11 7.64 -0.16 -1.11 113.62 112.63 2kay n SER 73 Ca 0.14 0.40 -0.01 0.00 1.01 0.00 0.00 58.87 60.41 2kay n SER 73 Cb 0.45 -0.43 0.22 0.00 -1.01 0.00 0.00 64.21 63.44 2kay n SER 73 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kay h VAL 74 N 0.00 1.21 0.17 0.44 2.07 -1.56 -0.45 116.25 118.13 2kay h VAL 74 Ca 0.00 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2kay h VAL 74 Cb 0.11 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2kay h VAL 74 CO 0.00 0.25 -0.08 0.15 0.02 0.00 0.00 177.57 177.91 2kay h PHE 75 N 0.87 -0.21 -0.65 1.57 3.57 -1.32 -0.42 116.94 120.34 2kay h PHE 75 Ca 0.21 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2kay h PHE 75 Cb 0.13 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 2kay h PHE 75 CO 0.01 0.08 0.33 -0.07 -2.23 0.00 0.00 178.31 176.43 2kay h LEU 76 N -0.51 0.45 0.15 0.59 -0.00 -1.63 -0.19 115.31 114.15 2kay h LEU 76 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2kay h LEU 76 Cb 0.39 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2kay h LEU 76 CO 0.04 0.28 -0.13 0.74 -0.00 0.00 0.00 178.44 179.37 2kay h THR 77 N 0.59 0.71 -0.50 0.22 2.02 -0.98 0.36 112.91 115.34 2kay h THR 77 Ca 0.31 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 2kay h THR 77 Cb 0.27 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2kay h THR 77 CO -0.23 0.00 0.22 0.24 0.37 0.00 0.00 175.52 176.12 2kay h MET 78 N -0.29 0.70 0.03 6.66 2.86 -0.40 0.18 114.93 124.66 2kay h MET 78 Ca -0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2kay h MET 78 Cb 0.27 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2kay h MET 78 CO -0.03 0.56 -0.01 -0.07 1.06 0.00 0.00 176.91 178.43 2kay h LEU 79 N 0.70 -0.03 -1.57 1.22 -0.00 -0.91 -0.39 115.31 114.33 2kay h LEU 79 Ca 0.17 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2kay h LEU 79 Cb 0.11 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 2kay h LEU 79 CO -0.02 0.45 0.21 0.00 -0.00 0.00 0.00 178.44 179.08 2kay h MET 81 N 0.50 0.68 -0.55 0.00 2.86 -0.62 0.41 114.93 118.21 2kay h MET 81 Ca 0.13 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 2kay h MET 81 Cb 0.00 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2kay h MET 81 CO -0.02 1.01 0.06 0.00 1.06 0.00 0.00 176.91 179.02 2kay h ALA 82 N 0.92 0.74 -0.09 6.32 0.00 -0.42 -0.53 119.26 126.20 2kay h ALA 82 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2kay h ALA 82 Cb 1.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kay h ALA 82 CO 0.10 0.51 -0.53 1.88 0.00 0.00 0.00 179.25 181.20 2kay h TYR 83 N 0.82 0.30 0.13 0.00 0.05 -1.00 0.43 116.97 117.70 2kay h TYR 83 Ca 0.16 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2kay h TYR 83 Cb 0.45 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2kay h TYR 83 CO 0.03 0.72 -0.13 -0.97 -1.05 0.00 0.00 178.16 176.77 2kay h ASN 84 N 0.19 -0.34 -0.42 3.88 -1.24 -0.77 -1.18 115.58 115.69 2kay h ASN 84 Ca 0.00 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 2kay h ASN 84 Cb 1.00 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 2kay h ASN 84 CO 0.08 -0.20 -0.16 0.44 -1.29 0.00 0.00 177.43 176.31 2kay h ASP 85 N -0.29 0.87 -0.12 1.15 5.19 -0.99 -2.55 116.42 119.68 2kay h ASP 85 Ca 0.00 -0.39 0.01 0.00 -0.62 0.00 0.00 57.03 56.03 2kay h ASP 85 Cb 0.27 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2kay h ASP 85 CO -0.03 1.06 0.07 0.15 -3.12 0.00 0.00 179.24 177.37 2kay h PHE 86 N 0.68 0.13 -0.75 4.55 3.04 -0.97 -2.84 116.94 120.78 2kay h PHE 86 Ca 0.10 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.09 2kay h PHE 86 Cb 0.71 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 2kay h PHE 86 CO 0.05 0.08 0.49 0.35 -2.02 0.00 0.00 178.31 177.26 2kay h PHE 87 N 0.14 0.86 0.00 0.41 3.57 -1.07 -0.42 116.94 120.44 2kay h PHE 87 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kay h PHE 87 Cb -0.00 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2kay h PHE 87 CO -0.08 0.49 0.00 -0.07 -2.23 0.00 0.00 178.31 176.42 2kay h LEU 88 N 0.89 0.00 -0.35 0.59 3.38 -1.28 -2.40 115.31 116.14 2kay h LEU 88 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2kay h LEU 88 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kay h LEU 88 CO -0.09 0.00 -0.53 -0.62 0.09 0.00 0.00 178.44 177.29 2kay n GLU 89 N -2.44 2.03 -0.07 1.13 -0.58 -0.37 -4.64 120.64 115.70 2kay n GLU 89 Ca 0.03 -0.32 -0.16 0.00 -0.42 0.00 0.00 57.16 56.29 2kay n GLU 89 Cb 0.31 -1.21 -0.05 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.85 1.20 -1.04 1.62 2.03 -0.31 -4.62 116.55 114.58 2kay n ASP 90 Ca 0.04 0.20 -0.02 0.00 0.52 0.00 0.00 54.79 55.53 2kay n ASP 90 Cb 0.26 -0.49 0.04 0.00 -0.72 0.00 0.00 41.12 40.21 2kay n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kay n ASN 91 N -3.77 2.69 -0.04 1.67 5.03 -0.91 -5.09 115.26 114.85 2kay n ASN 91 Ca -0.29 -2.20 0.16 0.00 0.87 0.00 0.00 54.58 53.12 2kay n ASN 91 Cb 0.67 -0.54 0.92 0.00 -1.02 0.00 0.00 39.78 39.80 2kay n ASN 91 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72