#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t s GLN 2 N 0.00 0.87 0.12 -2.82 -0.21 -1.26 -4.97 119.66 111.39 1o8t s GLN 2 Ca 0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 1o8t s GLN 2 Cb 0.00 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 1o8t s GLN 2 CO 0.00 -0.51 0.08 -0.65 -2.12 0.00 0.00 175.29 172.09 1o8t s GLN 3 N 1.81 0.92 0.51 2.91 1.11 -1.26 -5.01 119.66 120.65 1o8t s GLN 3 Ca 0.01 -1.36 0.24 0.00 0.01 0.00 0.00 55.36 54.25 1o8t s GLN 3 Cb -0.16 0.26 1.33 0.00 -1.01 0.00 0.00 33.01 33.43 1o8t s GLN 3 CO -0.07 -0.26 1.96 -1.00 0.01 0.00 0.00 175.29 175.93 1o8t h PRO 4 N 2.86 0.10 -0.01 2.91 0.13 -2.00 0.22 132.00 136.20 1o8t h PRO 4 Ca -0.34 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1o8t h PRO 4 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1o8t h PRO 4 CO 0.58 0.06 -0.04 1.96 -0.23 0.00 0.00 178.00 180.34 1o8t h GLN 5 N 0.10 0.05 -0.01 0.86 4.20 -1.99 -3.34 115.11 114.98 1o8t h GLN 5 Ca 0.31 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 1o8t h GLN 5 Cb 1.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1o8t h GLN 5 CO -0.03 0.66 -0.00 1.96 -0.67 0.00 0.00 178.83 180.75 1o8t h GLN 6 N -0.55 0.02 -6.74 1.46 7.50 -1.77 -3.44 115.11 111.59 1o8t h GLN 6 Ca -0.00 -0.01 -0.52 0.00 0.50 0.00 0.00 58.65 58.62 1o8t h GLN 6 Cb 0.67 -0.00 0.03 0.00 0.05 0.00 0.00 27.48 28.23 1o8t h GLN 6 CO 0.01 0.40 0.58 -0.51 -1.50 0.00 0.00 178.83 177.81 1o8t s ASP 7 N -5.61 7.02 0.62 1.46 1.01 0.70 -4.97 116.67 116.90 1o8t s ASP 7 Ca -0.15 2.37 -0.16 0.00 0.71 0.00 0.00 52.55 55.32 1o8t s ASP 7 Cb 0.03 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1o8t s ASP 7 CO 0.67 -0.39 1.11 -1.83 0.21 0.00 0.00 175.17 174.94 1o8t s GLU 8 N -0.78 3.02 0.20 8.23 4.04 -1.26 -4.75 118.70 127.38 1o8t s GLU 8 Ca 0.51 1.43 -0.30 0.00 0.04 0.00 0.00 54.97 56.65 1o8t s GLU 8 Cb -0.35 -1.98 -0.09 0.00 0.02 0.00 0.00 34.13 31.74 1o8t s GLU 8 CO 0.41 -1.08 1.33 -1.64 -1.84 0.00 0.00 175.26 172.44 1o8t s MET 9 N -3.86 4.37 0.30 -4.83 -1.94 -1.26 -4.97 119.30 107.11 1o8t s MET 9 Ca 0.68 2.08 -0.29 0.00 -1.71 0.00 0.00 55.69 56.45 1o8t s MET 9 Cb -0.21 -3.19 -0.11 0.00 2.01 0.00 0.00 34.83 33.33 1o8t s MET 9 CO 0.37 -0.29 1.47 -1.25 -0.01 0.00 0.00 175.02 175.31 1o8t s PRO 10 N -0.02 4.21 0.61 2.03 0.04 -1.26 -5.00 135.00 135.61 1o8t s PRO 10 Ca 0.58 2.42 -0.16 0.00 0.04 0.00 0.00 61.00 63.88 1o8t s PRO 10 Cb -0.37 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1o8t s PRO 10 CO 0.38 -0.46 1.07 -1.54 0.04 0.00 0.00 177.00 176.49 1o8t s SER 11 N 0.14 5.60 -0.09 6.66 1.04 -1.26 -4.96 113.70 120.84 1o8t s SER 11 Ca 0.57 1.87 -0.29 0.00 0.48 0.00 0.00 55.95 58.58 1o8t s SER 11 Cb -0.44 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.08 1o8t s SER 11 CO 0.51 -1.29 1.83 -2.16 0.98 0.00 0.00 173.24 173.11 1o8t s PRO 12 N -4.07 3.92 1.11 4.02 0.04 -1.26 -4.99 135.00 133.78 1o8t s PRO 12 Ca 0.65 2.19 -0.17 0.00 0.04 0.00 0.00 61.00 63.70 1o8t s PRO 12 Cb -0.17 -4.11 0.25 0.00 0.04 0.00 0.00 34.50 30.50 1o8t s PRO 12 CO 0.38 -1.17 1.15 0.95 0.04 0.00 0.00 177.00 178.35 1o8t s THR 13 N 5.08 1.75 0.45 1.26 -4.23 -1.26 -4.84 115.64 113.85 1o8t s THR 13 Ca 0.82 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.46 1o8t s THR 13 Cb -0.34 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 71.10 1o8t s THR 13 CO 0.34 0.00 2.02 0.15 -0.54 0.00 0.00 174.62 176.59 1o8t h PHE 14 N -2.24 0.09 0.28 3.99 3.57 -2.00 -2.61 116.94 118.03 1o8t h PHE 14 Ca -0.47 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1o8t h PHE 14 Cb 1.29 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1o8t h PHE 14 CO -1.45 0.19 -0.14 -0.07 -2.23 0.00 0.00 178.31 174.61 1o8t h LEU 15 N 0.09 -0.32 -1.55 0.59 3.38 -2.02 -2.38 115.31 113.10 1o8t h LEU 15 Ca 0.02 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1o8t h LEU 15 Cb 0.22 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1o8t h LEU 15 CO 0.01 -0.12 0.39 0.71 0.09 0.00 0.00 178.44 179.52 1o8t h THR 16 N -0.51 0.99 -0.60 0.22 1.35 -1.87 -2.08 112.91 110.42 1o8t h THR 16 Ca -0.04 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1o8t h THR 16 Cb 0.38 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.16 1o8t h THR 16 CO 0.06 0.10 0.30 1.56 -0.25 0.00 0.00 175.52 177.30 1o8t h GLN 17 N 0.55 0.85 -0.51 4.72 4.20 -1.17 -3.20 115.11 120.56 1o8t h GLN 17 Ca 0.25 -0.12 0.14 0.00 0.06 0.00 0.00 58.65 58.99 1o8t h GLN 17 Cb 0.28 -0.16 -0.09 0.00 0.30 0.00 0.00 27.48 27.81 1o8t h GLN 17 CO -0.07 0.67 0.02 0.28 -0.67 0.00 0.00 178.83 179.06 1o8t n VAL 18 N -4.54 -0.21 -0.19 -0.54 0.31 -0.78 0.58 118.33 112.95 1o8t n VAL 18 Ca 0.04 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.48 1o8t n VAL 18 Cb 0.11 -1.64 0.10 0.00 -0.91 0.00 0.00 33.84 31.50 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1o8t h LYS 19 N 0.00 0.20 -0.09 5.55 1.79 -1.73 0.49 116.57 122.77 1o8t h LYS 19 Ca 0.31 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.73 1o8t h LYS 19 Cb 0.66 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1o8t h LYS 19 CO -0.47 0.13 -0.15 0.93 -1.08 0.00 0.00 179.45 178.81 1o8t h GLU 20 N 0.21 0.15 -0.79 3.15 3.07 -0.10 -2.38 114.58 117.89 1o8t h GLU 20 Ca 0.30 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 1o8t h GLU 20 Cb 0.45 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1o8t h GLU 20 CO -0.42 0.30 0.34 0.77 -1.40 0.00 0.00 179.01 178.61 1o8t h SER 21 N 0.14 1.06 0.10 1.42 0.02 -0.81 -2.50 113.55 112.98 1o8t h SER 21 Ca 0.03 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 1o8t h SER 21 Cb 0.36 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1o8t h SER 21 CO 0.02 0.92 -0.53 0.25 -1.14 0.00 0.00 176.83 176.35 1o8t h LEU 22 N 1.13 0.52 -0.16 5.07 5.85 -0.93 -3.06 115.31 123.73 1o8t h LEU 22 Ca 0.27 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 22 Cb 0.17 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1o8t h LEU 22 CO -0.03 0.96 0.07 0.28 -0.34 0.00 0.00 178.44 179.38 1o8t h SER 23 N 0.37 0.10 0.39 1.25 0.02 -1.08 -1.20 113.55 113.39 1o8t h SER 23 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1o8t h SER 23 Cb 1.05 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1o8t h SER 23 CO 0.10 0.08 0.00 -1.28 -1.14 0.00 0.00 176.83 174.59 1o8t h SER 24 N 0.16 0.00 -0.12 3.07 0.87 -1.46 -2.29 113.55 113.78 1o8t h SER 24 Ca 0.07 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.44 1o8t h SER 24 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1o8t h SER 24 CO -0.05 0.00 -0.63 0.22 -0.53 0.00 0.00 176.83 175.84 1o8t h TYR 25 N 0.00 0.94 -0.75 2.24 5.03 -1.12 -3.20 116.97 120.12 1o8t h TYR 25 Ca 0.00 -0.36 -0.06 0.00 2.58 0.00 0.00 58.73 60.89 1o8t h TYR 25 Cb 0.19 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1o8t h TYR 25 CO 0.00 1.17 0.24 2.35 -1.32 0.00 0.00 178.16 180.60 1o8t h TRP 26 N 0.54 1.20 -0.81 -3.82 7.01 -1.21 -0.30 115.95 118.56 1o8t h TRP 26 Ca -0.01 -0.12 0.07 0.00 2.11 0.00 0.00 58.89 60.95 1o8t h TRP 26 Cb 1.22 -0.35 -0.10 0.00 -2.10 0.00 0.00 29.16 27.83 1o8t h TRP 26 CO 0.07 0.94 -0.53 0.93 -2.79 0.00 0.00 178.44 177.06 1o8t h GLU 27 N 1.12 -0.07 -0.04 2.65 3.07 -1.54 0.20 114.58 119.96 1o8t h GLU 27 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1o8t h GLU 27 Cb 0.30 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1o8t h GLU 27 CO -0.01 -0.05 0.00 0.43 -1.40 0.00 0.00 179.01 177.99 1o8t n SER 28 N -5.06 1.58 0.31 1.42 7.64 -1.20 -4.14 113.62 114.16 1o8t n SER 28 Ca 0.01 -1.55 0.18 0.00 1.01 0.00 0.00 58.87 58.52 1o8t n SER 28 Cb 0.25 -0.02 1.02 0.00 -1.01 0.00 0.00 64.21 64.46 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o8t h ALA 29 N 4.32 1.28 -0.56 -0.43 0.00 0.12 -2.78 119.26 121.22 1o8t h ALA 29 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1o8t h ALA 29 Cb 0.52 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1o8t h ALA 29 CO 0.00 0.01 0.15 0.87 0.00 0.00 0.00 179.25 180.28 1o8t h LYS 30 N 0.00 0.28 -1.04 0.00 1.79 -1.72 0.20 116.57 116.09 1o8t h LYS 30 Ca -0.00 -0.02 0.27 0.00 -2.18 0.00 0.00 60.65 58.72 1o8t h LYS 30 Cb 0.04 -0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.52 1o8t h LYS 30 CO 0.00 0.19 0.65 1.15 -1.08 0.00 0.00 179.45 180.36 1o8t h THR 31 N 0.29 0.50 -0.61 -0.16 2.02 -1.83 0.46 112.91 113.59 1o8t h THR 31 Ca 0.28 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1o8t h THR 31 Cb 0.38 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1o8t h THR 31 CO -0.34 0.08 0.29 0.00 0.37 0.00 0.00 175.52 175.92 1o8t h ALA 32 N 1.67 0.78 -0.25 6.16 0.00 -1.13 -0.70 119.26 125.79 1o8t h ALA 32 Ca 0.63 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1o8t h ALA 32 Cb 1.46 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1o8t h ALA 32 CO -0.38 0.35 -0.38 0.00 0.00 0.00 0.00 179.25 178.84 1o8t h ALA 33 N 1.12 -0.43 -0.52 0.00 0.00 0.10 0.57 119.26 120.12 1o8t h ALA 33 Ca 0.21 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1o8t h ALA 33 Cb 0.13 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1o8t h ALA 33 CO -0.03 -0.85 0.07 1.96 0.00 0.00 0.00 179.25 180.40 1o8t h GLN 34 N -0.39 0.83 0.00 0.00 1.08 -1.42 -1.87 115.11 113.34 1o8t h GLN 34 Ca 0.11 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1o8t h GLN 34 Cb 0.58 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1o8t h GLN 34 CO -0.46 0.79 -0.07 -0.97 -0.95 0.00 0.00 178.83 177.16 1o8t h ASN 35 N 0.78 0.00 -0.47 1.46 -0.73 0.53 -1.61 115.58 115.54 1o8t h ASN 35 Ca 0.16 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.39 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 1o8t h ASN 35 CO 0.01 0.07 0.19 0.25 -0.37 0.00 0.00 177.43 177.58 1o8t h LEU 36 N 0.00 0.22 -1.04 0.34 7.12 0.94 0.42 115.31 123.31 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 1o8t h LEU 36 Cb 0.14 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 1o8t h LEU 36 CO 0.01 0.16 0.18 1.88 -0.13 0.00 0.00 178.44 180.53 1o8t h TYR 37 N 0.37 0.89 -0.20 1.25 0.05 -1.35 -2.56 116.97 115.42 1o8t h TYR 37 Ca 0.22 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.95 1o8t h TYR 37 Cb 0.20 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1o8t h TYR 37 CO -0.14 0.72 0.03 1.49 -1.05 0.00 0.00 178.16 179.21 1o8t h GLU 38 N 0.85 0.11 -0.13 4.88 4.22 -0.21 -1.55 114.58 122.75 1o8t h GLU 38 Ca 0.19 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.66 1o8t h GLU 38 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1o8t h GLU 38 CO -0.01 0.07 0.33 1.57 -2.18 0.00 0.00 179.01 178.79 1o8t h LYS 39 N 0.11 0.00 -0.29 1.92 5.09 0.12 0.14 116.57 123.65 1o8t h LYS 39 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.82 1o8t h LYS 39 Cb 0.09 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.40 1o8t h LYS 39 CO -0.12 0.00 0.13 1.15 -2.09 0.00 0.00 179.45 178.52 1o8t h THR 40 N 0.00 1.16 -0.53 0.07 2.02 -1.22 -2.75 112.91 111.66 1o8t h THR 40 Ca 0.06 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 1o8t h THR 40 Cb 0.72 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1o8t h THR 40 CO -0.00 0.17 0.03 1.88 0.37 0.00 0.00 175.52 177.96 1o8t h TYR 41 N 0.33 0.99 -6.60 3.16 0.05 -0.82 -3.48 116.97 110.60 1o8t h TYR 41 Ca 0.10 -0.16 -0.43 0.00 0.05 0.00 0.00 58.73 58.28 1o8t h TYR 41 Cb 0.15 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1o8t h TYR 41 CO -0.01 0.91 -1.05 1.47 -1.05 0.00 0.00 178.16 178.43 1o8t n LEU 42 N -4.31 -2.43 -0.00 3.88 -0.00 -0.90 -4.98 117.00 108.25 1o8t n LEU 42 Ca 0.02 -0.72 -0.00 0.00 -0.00 0.00 0.00 56.01 55.31 1o8t n LEU 42 Cb 0.31 -1.76 -0.00 0.00 -0.00 0.00 0.00 43.42 41.97 1o8t n LEU 42 CO 0.42 0.16 -0.00 -0.81 -0.00 0.00 0.00 177.39 177.16 1o8t n PRO 43 N -2.03 0.00 0.20 1.47 -0.04 -1.26 -4.55 135.00 128.79 1o8t n PRO 43 Ca -0.25 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.54 1o8t n PRO 43 Cb 0.68 -0.68 0.66 0.00 -0.04 0.00 0.00 33.50 34.11 1o8t n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o8t h ALA 44 N -2.00 1.00 -0.96 0.55 0.00 -1.99 -3.32 119.26 112.54 1o8t h ALA 44 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1o8t h ALA 44 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1o8t h ALA 44 CO 0.00 0.00 -0.48 0.28 0.00 0.00 0.00 179.25 179.05 1o8t h VAL 45 N 0.00 0.01 -0.80 0.00 2.07 -1.98 0.57 116.25 116.11 1o8t h VAL 45 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1o8t h VAL 45 Cb 0.24 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1o8t h VAL 45 CO 0.00 0.00 0.52 -0.78 0.02 0.00 0.00 177.57 177.33 1o8t h ASP 46 N -0.02 0.62 -0.26 0.57 3.58 -1.87 -1.26 116.42 117.77 1o8t h ASP 46 Ca 0.25 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.67 1o8t h ASP 46 Cb 0.52 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1o8t h ASP 46 CO -0.94 0.35 -0.07 -0.08 -2.88 0.00 0.00 179.24 175.62 1o8t h GLU 47 N 0.68 0.51 -0.07 0.28 4.22 -0.22 -2.81 114.58 117.17 1o8t h GLU 47 Ca 0.38 -0.20 0.02 0.00 0.08 0.00 0.00 59.36 59.64 1o8t h GLU 47 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1o8t h GLU 47 CO -0.15 0.73 0.13 0.87 -2.18 0.00 0.00 179.01 178.40 1o8t h LYS 48 N 0.25 0.00 0.39 1.92 1.79 0.32 0.14 116.57 121.38 1o8t h LYS 48 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1o8t h LYS 48 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1o8t h LYS 48 CO 0.03 0.00 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.14 1o8t h LEU 49 N 0.00 -0.44 -1.32 2.94 3.38 -1.16 0.63 115.31 119.34 1o8t h LEU 49 Ca 0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1o8t h LEU 49 Cb 0.28 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1o8t h LEU 49 CO -0.00 -0.28 0.06 -0.09 0.09 0.00 0.00 178.44 178.23 1o8t h ARG 50 N -0.59 0.52 0.31 1.13 1.12 -1.58 -2.16 114.38 113.12 1o8t h ARG 50 Ca -0.05 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 1o8t h ARG 50 Cb 0.40 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.25 1o8t h ARG 50 CO 0.09 0.50 -0.32 0.22 -3.11 0.00 0.00 179.97 177.35 1o8t h ASP 51 N 0.51 -0.88 0.44 -3.80 1.82 -0.66 -1.42 116.42 112.43 1o8t h ASP 51 Ca 0.12 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1o8t h ASP 51 Cb 0.23 0.30 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 1o8t h ASP 51 CO 0.00 -0.45 -0.16 -0.07 -1.61 0.00 0.00 179.24 176.95 1o8t h LEU 52 N -0.66 0.00 -0.10 2.28 4.07 -0.72 -2.79 115.31 117.38 1o8t h LEU 52 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1o8t h LEU 52 Cb 0.61 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1o8t h LEU 52 CO -0.07 0.16 -0.02 1.88 -1.08 0.00 0.00 178.44 179.31 1o8t h TYR 53 N 0.00 0.21 -0.15 1.13 0.05 -0.72 0.16 116.97 117.65 1o8t h TYR 53 Ca -0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1o8t h TYR 53 Cb 0.42 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1o8t h TYR 53 CO 0.00 0.50 0.09 1.03 -1.05 0.00 0.00 178.16 178.73 1o8t h SER 54 N -0.13 0.18 -0.30 3.88 0.87 -1.11 -2.41 113.55 114.53 1o8t h SER 54 Ca 0.03 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1o8t h SER 54 Cb 0.43 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1o8t h SER 54 CO 0.01 0.19 0.16 0.50 -0.53 0.00 0.00 176.83 177.16 1o8t h LYS 55 N 0.16 0.42 0.00 2.24 3.64 -1.51 -2.54 116.57 118.98 1o8t h LYS 55 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1o8t h LYS 55 Cb 0.04 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1o8t h LYS 55 CO -0.01 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 1o8t h SER 56 N 0.36 0.00 -0.02 4.20 4.64 -0.83 -2.24 113.55 119.66 1o8t h SER 56 Ca 0.10 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1o8t h SER 56 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1o8t h SER 56 CO -0.02 0.00 -0.06 0.74 -0.87 0.00 0.00 176.83 176.62 1o8t h THR 57 N 0.00 0.84 0.12 2.95 2.02 -0.98 0.19 112.91 118.04 1o8t h THR 57 Ca 0.00 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.86 1o8t h THR 57 Cb 0.12 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1o8t h THR 57 CO 0.00 0.00 -1.69 0.00 0.37 0.00 0.00 175.52 174.20 1o8t h ALA 58 N 0.92 0.29 0.80 6.16 0.00 -1.69 -3.28 119.26 122.46 1o8t h ALA 58 Ca 0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.66 1o8t h ALA 58 Cb 0.14 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1o8t h ALA 58 CO -0.08 1.05 -0.38 0.00 0.00 0.00 0.00 179.25 179.83 1o8t h ALA 59 N -0.03 -1.07 0.00 0.00 0.00 -1.46 -2.95 119.26 113.74 1o8t h ALA 59 Ca -0.37 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1o8t h ALA 59 Cb 1.87 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1o8t h ALA 59 CO 0.05 -1.04 0.00 1.98 0.00 0.00 0.00 179.25 180.24 1o8t h MET 60 N -1.20 0.00 0.00 0.00 4.05 -1.17 -2.11 114.93 114.50 1o8t h MET 60 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1o8t h MET 60 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1o8t h MET 60 CO 0.18 0.00 0.00 1.03 0.23 0.00 0.00 176.91 178.35 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.58 -0.14 113.55 114.09 1o8t h SER 61 Ca 0.00 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.13 1o8t h SER 61 Cb 0.09 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 1o8t h SER 61 CO 0.00 0.00 -2.34 0.35 -0.53 0.00 0.00 176.83 174.31 1o8t n THR 62 N -2.57 1.53 0.31 2.23 -2.24 -0.80 -4.21 114.28 108.52 1o8t n THR 62 Ca 0.00 -0.33 0.19 0.00 -2.27 0.00 0.00 64.05 61.65 1o8t n THR 62 Cb 0.20 -1.91 0.91 0.00 -2.10 0.00 0.00 70.33 67.42 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1o8t h TYR 63 N -1.00 0.00 0.51 4.78 0.05 -1.55 -0.60 116.97 119.16 1o8t h TYR 63 Ca -0.64 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.11 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.30 1o8t h TYR 63 CO -0.07 0.00 -0.24 1.15 -1.05 0.00 0.00 178.16 177.94 1o8t h THR 64 N 0.00 0.00 -0.67 -2.88 2.02 -1.21 0.54 112.91 110.71 1o8t h THR 64 Ca 0.00 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1o8t h THR 64 Cb 0.26 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1o8t h THR 64 CO 0.00 0.00 0.25 1.23 0.37 0.00 0.00 175.52 177.37 1o8t h GLY 65 N -1.14 1.07 0.84 2.16 0.00 -1.71 -1.27 103.07 103.02 1o8t h GLY 65 Ca -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1o8t h GLY 65 CO 0.11 0.54 -0.35 -2.22 0.00 0.00 0.00 176.54 174.62 1o8t h ILE 66 N 0.97 0.15 -0.12 2.60 5.03 -1.15 0.11 117.51 125.10 1o8t h ILE 66 Ca 0.22 -0.21 0.04 0.00 -0.12 0.00 0.00 64.86 64.80 1o8t h ILE 66 Cb 0.21 0.18 -0.06 0.00 -3.03 0.00 0.00 36.82 34.12 1o8t h ILE 66 CO -0.02 0.01 -0.41 0.15 -0.68 0.00 0.00 178.15 177.21 1o8t h PHE 67 N -1.16 -1.16 0.00 1.37 3.57 0.17 0.26 116.94 119.99 1o8t h PHE 67 Ca -0.10 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1o8t h PHE 67 Cb 0.78 0.53 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1o8t h PHE 67 CO -0.00 -0.47 0.00 1.15 -2.23 0.00 0.00 178.31 176.76 1o8t h THR 68 N -0.49 0.00 0.58 4.41 2.02 -1.28 -3.01 112.91 115.14 1o8t h THR 68 Ca 0.07 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1o8t h THR 68 Cb 0.62 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1o8t h THR 68 CO -0.38 0.00 -0.41 -0.78 0.37 0.00 0.00 175.52 174.31 1o8t h ASP 69 N 0.00 -1.07 0.70 4.18 1.82 0.14 0.27 116.42 122.46 1o8t h ASP 69 Ca 0.00 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1o8t h ASP 69 Cb 0.23 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1o8t h ASP 69 CO 0.00 -0.62 -0.28 0.06 -1.61 0.00 0.00 179.24 176.79 1o8t h GLN 70 N -0.96 0.00 0.27 0.28 3.07 -1.49 -1.97 115.11 114.31 1o8t h GLN 70 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1o8t h GLN 70 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1o8t h GLN 70 CO 0.03 0.28 -0.13 0.28 0.09 0.00 0.00 178.83 179.39 1o8t h VAL 71 N 0.00 0.75 -0.61 1.86 2.07 -1.34 -2.61 116.25 116.37 1o8t h VAL 71 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1o8t h VAL 71 Cb 0.71 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1o8t h VAL 71 CO 0.04 0.14 0.41 0.25 0.02 0.00 0.00 177.57 178.42 1o8t h LEU 72 N -0.75 0.47 -1.28 2.57 6.46 -0.44 0.01 115.31 122.36 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.50 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 1o8t h LEU 72 CO 0.06 0.30 0.52 -1.28 -0.62 0.00 0.00 178.44 177.42 1o8t h SER 73 N 0.53 0.78 1.14 1.25 0.87 -1.13 0.15 113.55 117.14 1o8t h SER 73 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1o8t h SER 73 Cb 0.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1o8t h SER 73 CO -0.08 0.51 0.00 0.58 -0.53 0.00 0.00 176.83 177.31 1o8t h VAL 74 N 0.89 0.00 -0.48 2.23 2.07 -0.62 -2.86 116.25 117.49 1o8t h VAL 74 Ca 0.34 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1o8t h VAL 74 Cb 0.18 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1o8t h VAL 74 CO -0.11 0.00 0.05 0.25 0.02 0.00 0.00 177.57 177.78 1o8t h LEU 75 N 0.00 0.72 -0.50 2.57 5.85 -0.52 -0.81 115.31 122.63 1o8t h LEU 75 Ca 0.00 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.41 1o8t h LEU 75 Cb 0.57 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1o8t h LEU 75 CO 0.00 0.75 -0.55 0.50 -0.34 0.00 0.00 178.44 178.80 1o8t h LYS 76 N 0.72 0.58 0.00 1.25 3.64 -1.46 -3.32 116.57 117.98 1o8t h LYS 76 Ca 0.15 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1o8t h LYS 76 Cb 0.37 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1o8t h LYS 76 CO 0.01 0.98 0.00 0.41 -2.27 0.00 0.00 179.45 178.58 1o8t n GLY 77 N 0.26 -1.07 1.89 5.01 0.00 -0.99 -4.85 105.19 105.45 1o8t n GLY 77 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1o8t n GLY 77 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1o8t n GLU 78 N -0.27 0.62 0.00 1.61 -0.00 -1.03 -5.13 120.64 116.44 1o8t n GLU 78 Ca 0.00 -2.04 0.01 0.00 -0.00 0.00 0.00 57.16 55.13 1o8t n GLU 78 Cb 0.00 -0.23 0.01 0.00 -0.00 0.00 0.00 31.44 31.22 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22