#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t s LEU 2 N 0.00 0.73 0.00 4.03 0.05 -1.26 -5.17 118.68 117.07 1p6t s LEU 2 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 53.96 1p6t s LEU 2 Cb 0.00 1.51 0.00 0.00 -2.05 0.00 0.00 46.19 45.65 1p6t s LEU 2 CO 0.00 -0.69 0.00 -1.54 -0.55 0.00 0.00 176.35 173.57 1p6t n SER 3 N 0.32 0.00 -2.69 1.48 3.41 -1.26 -5.09 113.62 109.80 1p6t n SER 3 Ca -0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.36 1p6t n SER 3 Cb 0.61 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.62 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1p6t n GLU 4 N -0.16 1.23 -2.39 4.33 2.13 -1.26 -5.12 120.64 119.39 1p6t n GLU 4 Ca 0.00 -2.83 -0.35 0.00 0.66 0.00 0.00 57.16 54.64 1p6t n GLU 4 Cb 0.00 -0.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.79 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p6t s GLN 5 N -2.21 3.67 0.48 5.31 -1.52 -1.26 -4.49 119.66 119.64 1p6t s GLN 5 Ca 0.25 1.55 0.09 0.00 -1.95 0.00 0.00 55.36 55.29 1p6t s GLN 5 Cb 0.43 -2.17 0.04 0.00 -0.22 0.00 0.00 33.01 31.09 1p6t s GLN 5 CO -0.01 -0.57 0.66 -1.59 -0.25 0.00 0.00 175.29 173.53 1p6t s LYS 6 N -3.06 2.62 -0.10 2.91 -2.85 -0.11 -4.92 119.74 114.23 1p6t s LYS 6 Ca 0.67 -1.39 0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1p6t s LYS 6 Cb -0.22 -2.71 0.01 0.00 -2.06 0.00 0.00 37.83 32.85 1p6t s LYS 6 CO 0.26 -0.51 -0.19 -1.21 0.10 0.00 0.00 175.35 173.80 1p6t s GLU 7 N -4.48 2.56 -0.20 1.78 8.01 -1.26 -1.96 118.70 123.16 1p6t s GLU 7 Ca 0.58 -0.70 -0.01 0.00 0.01 0.00 0.00 54.97 54.84 1p6t s GLU 7 Cb -0.08 -2.04 0.01 0.00 -4.31 0.00 0.00 34.13 27.70 1p6t s GLU 7 CO 0.35 0.05 -0.12 -1.50 0.01 0.00 0.00 175.26 174.05 1p6t s ILE 8 N 0.66 2.72 -0.26 -1.63 1.10 0.05 -4.99 121.20 118.86 1p6t s ILE 8 Ca -0.13 -0.71 -0.04 0.00 -0.51 0.00 0.00 60.65 59.26 1p6t s ILE 8 Cb -0.16 -2.20 0.01 0.00 0.15 0.00 0.00 42.46 40.26 1p6t s ILE 8 CO 0.03 0.48 -0.01 0.00 -2.11 0.00 0.00 174.94 173.34 1p6t s ALA 9 N 1.36 2.84 0.13 1.50 0.00 -1.26 -0.89 121.76 125.45 1p6t s ALA 9 Ca 0.05 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1p6t s ALA 9 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1p6t s ALA 9 CO -0.08 -0.80 0.01 -1.64 0.00 0.00 0.00 175.76 173.26 1p6t s MET 10 N 1.41 0.94 -0.26 0.00 -1.94 0.17 -3.80 119.30 115.83 1p6t s MET 10 Ca 0.02 -1.43 -0.09 0.00 -1.71 0.00 0.00 55.69 52.47 1p6t s MET 10 Cb -0.16 0.00 -0.04 0.00 2.01 0.00 0.00 34.83 36.64 1p6t s MET 10 CO -0.02 -0.17 0.13 -1.14 -0.01 0.00 0.00 175.02 173.81 1p6t s GLN 11 N -3.96 3.81 0.07 2.03 0.74 -1.26 0.04 119.66 121.14 1p6t s GLN 11 Ca 0.21 -0.40 0.05 0.00 0.05 0.00 0.00 55.36 55.27 1p6t s GLN 11 Cb 0.07 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 1p6t s GLN 11 CO 0.00 -0.16 -0.03 0.54 -0.55 0.00 0.00 175.29 175.10 1p6t s VAL 12 N 1.61 3.86 0.46 1.34 0.11 -1.23 -1.06 120.40 125.49 1p6t s VAL 12 Ca 0.07 -0.98 0.07 0.00 -2.93 0.00 0.00 61.98 58.20 1p6t s VAL 12 Cb -0.15 -2.81 0.02 0.00 -1.53 0.00 0.00 36.38 31.91 1p6t s VAL 12 CO 0.07 0.17 0.63 -0.44 -3.33 0.00 0.00 175.10 172.20 1p6t s SER 13 N -2.12 5.54 -0.04 3.54 0.01 0.21 -4.48 113.70 116.36 1p6t s SER 13 Ca 0.23 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1p6t s SER 13 Cb -0.11 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1p6t s SER 13 CO 0.15 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1p6t n GLY 14 N -1.98 0.22 3.17 3.44 0.00 -1.26 -4.46 105.19 104.32 1p6t n GLY 14 Ca 0.09 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1p6t n GLY 14 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 15 N -0.56 2.41 0.00 1.61 0.00 -1.26 -4.71 117.12 114.61 1p6t n MET 15 Ca -0.00 -2.57 0.06 0.00 0.00 0.00 0.00 57.70 55.19 1p6t n MET 15 Cb 0.32 -3.32 0.39 0.00 0.00 0.00 0.00 33.22 30.60 1p6t n MET 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1p6t n THR 16 N 6.08 0.00 -4.18 1.12 -1.04 -1.26 -4.93 114.28 110.07 1p6t n THR 16 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1p6t n THR 16 Cb 0.42 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t n ALA 18 N 0.39 0.00 0.08 0.00 0.00 -1.26 -0.65 120.51 119.06 1p6t n ALA 18 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1p6t n ALA 18 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 19 N -0.89 0.05 0.42 0.00 0.00 -1.98 -3.27 119.26 113.59 1p6t h ALA 19 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 54.91 53.87 1p6t h ALA 19 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1p6t h ALA 19 CO 0.00 0.83 -0.20 0.00 0.00 0.00 0.00 179.25 179.88 1p6t h ALA 21 N -0.80 -0.48 -0.91 0.00 0.00 -1.80 0.12 119.26 115.39 1p6t h ALA 21 Ca -0.06 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1p6t h ALA 21 Cb 0.54 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1p6t h ALA 21 CO 0.09 -0.89 0.58 0.00 0.00 0.00 0.00 179.25 179.04 1p6t h ALA 22 N 0.35 1.64 -0.26 0.00 0.00 -1.59 0.13 119.26 119.53 1p6t h ALA 22 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1p6t h ALA 22 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p6t h ALA 22 CO -0.56 0.16 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 1p6t h ARG 23 N 0.88 0.46 0.48 0.00 2.47 0.10 0.12 114.38 118.90 1p6t h ARG 23 Ca 0.43 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 1p6t h ARG 23 Cb 0.46 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1p6t h ARG 23 CO -0.19 0.64 -0.23 0.82 0.56 0.00 0.00 179.97 181.56 1p6t h ILE 24 N 0.24 0.52 -0.08 2.04 1.08 0.71 0.20 117.51 122.22 1p6t h ILE 24 Ca 0.07 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.47 1p6t h ILE 24 Cb 0.43 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 1p6t h ILE 24 CO 0.01 0.02 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.02 1p6t h GLU 25 N -0.71 -0.20 -0.46 2.37 5.08 -0.79 0.19 114.58 120.06 1p6t h GLU 25 Ca -0.07 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1p6t h GLU 25 Cb 0.53 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1p6t h GLU 25 CO 0.11 -0.13 0.18 -0.22 -1.00 0.00 0.00 179.01 177.95 1p6t h LYS 26 N -0.21 0.68 -0.35 2.33 3.64 -0.72 0.15 116.57 122.09 1p6t h LYS 26 Ca 0.08 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1p6t h LYS 26 Cb 0.31 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1p6t h LYS 26 CO -0.20 0.62 0.16 0.78 -2.27 0.00 0.00 179.45 178.54 1p6t h GLY 27 N 0.60 0.46 1.51 5.01 0.00 -0.07 -2.64 103.07 107.94 1p6t h GLY 27 Ca 0.15 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1p6t h GLY 27 CO -0.01 0.08 -0.38 1.41 0.00 0.00 0.00 176.54 177.63 1p6t h LEU 28 N 0.34 0.57 -2.01 3.11 -0.00 -0.38 -1.59 115.31 115.34 1p6t h LEU 28 Ca 0.15 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1p6t h LEU 28 Cb 0.08 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.58 1p6t h LEU 28 CO -0.12 0.90 0.32 0.11 -0.00 0.00 0.00 178.44 179.65 1p6t h LYS 29 N 0.45 0.00 0.00 1.13 6.56 -0.36 0.55 116.57 124.91 1p6t h LYS 29 Ca 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1p6t h LYS 29 Cb 0.87 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1p6t h LYS 29 CO 0.07 0.00 -0.11 -0.09 -2.06 0.00 0.00 179.45 177.26 1p6t h ARG 30 N 0.00 0.00 -6.82 3.15 9.65 -1.06 -3.44 114.38 115.86 1p6t h ARG 30 Ca 0.00 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.40 1p6t h ARG 30 Cb 0.65 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1p6t h ARG 30 CO 0.00 0.11 0.23 -1.64 2.80 0.00 0.00 179.97 181.47 1p6t s MET 31 N -4.08 4.28 0.01 0.20 -1.94 0.18 -5.02 119.30 112.93 1p6t s MET 31 Ca -0.02 1.01 -0.23 0.00 -1.71 0.00 0.00 55.69 54.74 1p6t s MET 31 Cb 0.12 -2.58 -0.17 0.00 2.01 0.00 0.00 34.83 34.21 1p6t s MET 31 CO 0.57 0.20 1.28 -1.00 -0.01 0.00 0.00 175.02 176.07 1p6t h PRO 32 N 2.70 0.21 0.00 2.03 0.13 -1.86 -3.28 132.00 131.93 1p6t h PRO 32 Ca -0.48 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 1p6t h PRO 32 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1p6t h PRO 32 CO 0.64 0.67 -0.06 0.78 -0.23 0.00 0.00 178.00 179.80 1p6t h GLY 33 N -0.24 0.00 -7.35 1.56 0.00 -1.89 -3.42 103.07 91.74 1p6t h GLY 33 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.83 1p6t h GLY 33 CO 0.02 0.00 1.62 -0.62 0.00 0.00 0.00 176.54 177.57 1p6t n VAL 34 N -3.18 0.00 -0.04 4.60 0.31 -1.24 -0.93 118.33 117.85 1p6t n VAL 34 Ca 0.00 -0.55 -0.18 0.00 -0.01 0.00 0.00 64.34 63.61 1p6t n VAL 34 Cb 0.34 -2.18 -0.13 0.00 -0.91 0.00 0.00 33.84 30.96 1p6t n VAL 34 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1p6t h THR 35 N 7.64 1.43 -3.48 2.52 2.02 -1.06 -3.47 112.91 118.52 1p6t h THR 35 Ca -0.22 -2.36 -0.08 0.00 0.77 0.00 0.00 66.41 64.52 1p6t h THR 35 Cb 1.28 3.00 -0.15 0.00 -1.74 0.00 0.00 68.15 70.54 1p6t h THR 35 CO 1.17 0.58 -0.25 -0.62 0.37 0.00 0.00 175.52 176.77 1p6t s ASP 36 N -6.63 -0.07 -0.08 4.18 2.15 -0.07 -5.02 116.67 111.12 1p6t s ASP 36 Ca -0.20 -0.36 -0.00 0.00 0.43 0.00 0.00 52.55 52.42 1p6t s ASP 36 Cb 0.01 0.38 0.02 0.00 -0.30 0.00 0.00 42.92 43.03 1p6t s ASP 36 CO 0.71 -0.70 -0.05 0.00 -0.17 0.00 0.00 175.17 174.96 1p6t s ALA 37 N -3.20 1.02 0.14 3.66 0.00 -1.26 -0.39 121.76 121.72 1p6t s ALA 37 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1p6t s ALA 37 Cb 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1p6t s ALA 37 CO -0.07 -0.29 -0.03 -0.80 0.00 0.00 0.00 175.76 174.56 1p6t s ASN 38 N 1.52 1.18 -0.20 0.00 0.01 -0.61 -4.83 114.94 112.01 1p6t s ASN 38 Ca -0.00 -1.10 -0.06 0.00 -0.71 0.00 0.00 52.86 50.99 1p6t s ASN 38 Cb -0.13 0.11 0.09 0.00 0.41 0.00 0.00 41.25 41.73 1p6t s ASN 38 CO -0.04 -0.52 0.40 0.54 -1.51 0.00 0.00 177.10 175.96 1p6t s VAL 39 N -3.64 -0.62 -0.89 1.60 0.11 -1.26 -0.48 120.40 115.22 1p6t s VAL 39 Ca 0.19 0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 1p6t s VAL 39 Cb 0.06 -0.66 0.08 0.00 -1.53 0.00 0.00 36.38 34.32 1p6t s VAL 39 CO 0.00 0.06 1.24 0.21 -3.33 0.00 0.00 175.10 173.28 1p6t s ASN 40 N 2.59 6.44 0.50 3.54 2.47 0.33 -4.85 114.94 125.95 1p6t s ASN 40 Ca 0.00 -1.41 0.21 0.00 0.42 0.00 0.00 52.86 52.09 1p6t s ASN 40 Cb -0.12 -2.49 1.28 0.00 -1.45 0.00 0.00 41.25 38.47 1p6t s ASN 40 CO -0.13 -1.41 2.00 0.17 -3.72 0.00 0.00 177.10 174.01 1p6t h LEU 41 N 11.85 0.11 -2.15 3.21 8.10 -1.94 0.05 115.31 134.55 1p6t h LEU 41 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1p6t h LEU 41 Cb 1.03 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 41.23 1p6t h LEU 41 CO 1.27 0.06 -0.07 0.00 -4.11 0.00 0.00 178.44 175.59 1p6t h ALA 42 N 1.74 1.47 0.00 0.17 0.00 -1.96 -0.75 119.26 119.93 1p6t h ALA 42 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p6t h ALA 42 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1p6t h ALA 42 CO -0.03 0.08 -0.09 0.25 0.00 0.00 0.00 179.25 179.46 1p6t n THR 43 N -3.85 1.27 -4.06 0.00 -2.24 -0.71 -5.01 114.28 99.68 1p6t n THR 43 Ca -0.02 -1.49 -0.34 0.00 -2.27 0.00 0.00 64.05 59.93 1p6t n THR 43 Cb 0.16 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1p6t n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p6t n GLU 44 N -0.92 -0.65 -4.02 -0.78 1.02 -0.14 -4.93 120.64 110.21 1p6t n GLU 44 Ca 0.09 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1p6t n GLU 44 Cb 0.57 -2.57 -0.15 0.00 -0.02 0.00 0.00 31.44 29.27 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p6t s THR 45 N -3.98 2.01 -0.14 2.62 2.01 -0.35 -3.53 115.64 114.27 1p6t s THR 45 Ca 0.20 -1.68 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 1p6t s THR 45 Cb -0.11 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1p6t s THR 45 CO 0.85 -0.18 1.00 0.54 -0.69 0.00 0.00 174.62 176.15 1p6t s VAL 46 N 1.14 4.76 -0.32 3.82 0.11 0.11 -0.51 120.40 129.51 1p6t s VAL 46 Ca -0.04 2.02 0.02 0.00 -2.93 0.00 0.00 61.98 61.04 1p6t s VAL 46 Cb -0.19 -4.30 0.10 0.00 -1.53 0.00 0.00 36.38 30.45 1p6t s VAL 46 CO -0.06 -0.04 0.07 0.54 -3.33 0.00 0.00 175.10 172.28 1p6t s ASN 47 N 1.13 4.41 -0.16 3.54 2.20 0.37 -0.65 114.94 125.78 1p6t s ASN 47 Ca 0.47 -1.90 -0.05 0.00 -0.94 0.00 0.00 52.86 50.43 1p6t s ASN 47 Cb -0.17 -1.26 -0.03 0.00 -2.00 0.00 0.00 41.25 37.78 1p6t s ASN 47 CO 0.15 -0.40 0.02 -0.69 -2.94 0.00 0.00 177.10 173.24 1p6t s VAL 48 N 1.25 4.41 -0.24 3.54 1.01 -0.07 -1.57 120.40 128.74 1p6t s VAL 48 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1p6t s VAL 48 Cb -0.18 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1p6t s VAL 48 CO -0.16 0.50 -0.02 -0.63 0.00 0.00 0.00 175.10 174.79 1p6t s ILE 49 N 0.12 3.48 0.24 2.22 1.09 0.48 -0.77 121.20 128.07 1p6t s ILE 49 Ca 0.02 -0.56 -0.18 0.00 -1.10 0.00 0.00 60.65 58.84 1p6t s ILE 49 Cb -0.13 -2.64 0.02 0.00 -1.06 0.00 0.00 42.46 38.65 1p6t s ILE 49 CO 0.02 0.34 0.60 -0.72 -0.10 0.00 0.00 174.94 175.07 1p6t s TYR 50 N 1.48 -0.06 -0.16 3.97 1.13 -0.83 -0.52 117.35 122.36 1p6t s TYR 50 Ca 0.05 -0.33 -0.27 0.00 -1.41 0.00 0.00 57.07 55.11 1p6t s TYR 50 Cb -0.15 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.18 1p6t s TYR 50 CO -0.02 -1.06 0.90 0.34 -2.51 0.00 0.00 175.55 173.19 1p6t s ASP 51 N -2.92 7.04 0.00 -0.18 -1.08 -0.10 -0.94 116.67 118.49 1p6t s ASP 51 Ca 0.13 1.28 0.00 0.00 -0.52 0.00 0.00 52.55 53.43 1p6t s ASP 51 Cb -0.03 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1p6t s ASP 51 CO 0.03 -0.44 1.31 -0.81 0.52 0.00 0.00 175.17 175.78 1p6t n PRO 52 N 5.32 0.87 -0.75 4.34 -0.04 -1.26 -3.44 135.00 140.04 1p6t n PRO 52 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1p6t n PRO 52 Cb 0.48 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.84 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.07 2.83 0.00 0.55 0.00 -1.26 -4.92 120.51 118.77 1p6t n ALA 53 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1p6t n ALA 53 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1p6t n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p6t n GLU 54 N 0.00 0.00 0.00 0.00 1.02 -1.22 -5.06 120.64 115.38 1p6t n GLU 54 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1p6t n GLU 54 Cb 0.59 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1p6t n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1p6t n THR 55 N -1.79 0.00 0.00 2.62 -1.04 -1.25 -4.78 114.28 108.04 1p6t n THR 55 Ca 0.00 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1p6t n THR 55 Cb 0.00 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 3.14 2.48 0.33 3.41 0.00 -1.26 -4.49 105.19 108.79 1p6t n GLY 56 Ca 0.00 -1.27 0.23 0.00 0.00 0.00 0.00 46.02 44.97 1p6t n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1p6t n THR 57 N 1.75 -0.41 -0.22 2.61 5.66 -1.26 0.21 114.28 122.62 1p6t n THR 57 Ca 0.00 2.07 -0.06 0.00 -3.05 0.00 0.00 64.05 63.01 1p6t n THR 57 Cb 0.00 -3.19 0.04 0.00 -1.55 0.00 0.00 70.33 65.63 1p6t n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t h ALA 58 N 1.96 0.79 -0.31 1.79 0.00 -1.90 0.02 119.26 121.60 1p6t h ALA 58 Ca 0.71 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.41 1p6t h ALA 58 Cb 1.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1p6t h ALA 58 CO -0.84 0.28 -0.34 0.00 0.00 0.00 0.00 179.25 178.35 1p6t h ALA 59 N 1.18 0.82 0.51 0.00 0.00 -0.46 0.18 119.26 121.50 1p6t h ALA 59 Ca 0.22 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1p6t h ALA 59 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1p6t h ALA 59 CO -0.04 0.64 -0.40 0.82 0.00 0.00 0.00 179.25 180.28 1p6t h ILE 60 N 0.58 0.20 -0.87 0.00 1.08 -0.60 0.11 117.51 118.02 1p6t h ILE 60 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1p6t h ILE 60 Cb 0.85 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 1p6t h ILE 60 CO 0.07 0.00 0.56 0.06 -0.69 0.00 0.00 178.15 178.16 1p6t h GLN 61 N -0.89 1.16 -0.47 2.37 -0.00 -0.91 -0.79 115.11 115.58 1p6t h GLN 61 Ca -0.06 -0.08 0.02 0.00 -0.00 0.00 0.00 58.65 58.53 1p6t h GLN 61 Cb 0.76 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.48 27.96 1p6t h GLN 61 CO 0.00 0.78 0.31 1.49 -0.00 0.00 0.00 178.83 181.41 1p6t h GLU 62 N 1.19 0.56 -0.39 0.06 4.81 -0.16 -0.95 114.58 119.70 1p6t h GLU 62 Ca 0.32 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1p6t h GLU 62 Cb -0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1p6t h GLU 62 CO -0.07 0.37 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.27 1p6t h LYS 63 N 0.58 0.75 -0.01 1.92 1.63 0.74 0.18 116.57 122.36 1p6t h LYS 63 Ca 0.18 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1p6t h LYS 63 Cb 0.01 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1p6t h LYS 63 CO -0.04 0.90 -0.04 0.82 -3.45 0.00 0.00 179.45 177.63 1p6t h ILE 64 N 0.56 0.88 -0.10 2.00 2.04 -1.15 0.28 117.51 122.03 1p6t h ILE 64 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1p6t h ILE 64 Cb 0.62 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1p6t h ILE 64 CO 0.04 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.92 1p6t h GLU 65 N -0.07 0.13 -0.86 2.37 5.08 -0.97 -2.18 114.58 118.08 1p6t h GLU 65 Ca 0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1p6t h GLU 65 Cb 0.10 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1p6t h GLU 65 CO -0.06 0.10 0.56 0.87 -1.00 0.00 0.00 179.01 179.48 1p6t h LYS 66 N 0.12 0.83 0.00 2.33 1.57 -0.51 0.17 116.57 121.07 1p6t h LYS 66 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1p6t h LYS 66 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1p6t h LYS 66 CO -0.01 0.55 0.00 -0.07 -0.57 0.00 0.00 179.45 179.35 1p6t h LEU 67 N 0.85 0.00 0.00 2.94 3.38 -0.33 -3.46 115.31 118.70 1p6t h LEU 67 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1p6t h LEU 67 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1p6t h LEU 67 CO -0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1p6t n GLY 68 N -1.11 1.04 3.87 0.83 0.00 0.58 -5.08 105.19 105.32 1p6t n GLY 68 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1p6t n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 69 N -2.00 1.95 0.04 1.61 1.51 -0.95 -5.04 117.35 114.47 1p6t s TYR 69 Ca 0.00 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.33 1p6t s TYR 69 Cb 0.00 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1p6t s TYR 69 CO 0.00 -0.31 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.48 1p6t s HIS 70 N -2.70 0.58 0.00 2.71 2.46 -1.26 -4.16 115.29 112.92 1p6t s HIS 70 Ca 0.37 -0.48 0.03 0.00 0.47 0.00 0.00 55.06 55.45 1p6t s HIS 70 Cb -0.01 -0.35 -0.03 0.00 -0.13 0.00 0.00 32.58 32.05 1p6t s HIS 70 CO 0.22 -0.10 -0.06 0.14 -2.47 0.00 0.00 174.74 172.47 1p6t s VAL 71 N -1.33 3.71 -0.97 0.89 -7.23 -1.26 -0.62 120.40 113.59 1p6t s VAL 71 Ca -0.11 -0.75 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1p6t s VAL 71 Cb -0.10 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1p6t s VAL 71 CO 0.00 0.39 2.94 0.52 -0.31 0.00 0.00 175.10 178.65 1p6t n VAL 72 N 1.54 4.08 -4.27 1.32 0.31 -0.23 -4.84 118.33 116.25 1p6t n VAL 72 Ca -0.15 -2.85 -0.28 0.00 -0.01 0.00 0.00 64.34 61.05 1p6t n VAL 72 Cb 0.53 -2.16 -0.17 0.00 -0.91 0.00 0.00 33.84 31.13 1p6t n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1p6t s THR 73 N 0.28 1.38 -0.07 2.52 2.01 -1.26 -4.17 115.64 116.32 1p6t s THR 73 Ca 0.63 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.12 1p6t s THR 73 Cb 0.25 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 1p6t s THR 73 CO -0.08 0.42 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.45 1p6t s GLU 74 N 1.19 2.75 -1.04 4.92 0.41 0.14 -4.80 118.70 122.28 1p6t s GLU 74 Ca -0.03 -0.83 -0.20 0.00 -0.41 0.00 0.00 54.97 53.50 1p6t s GLU 74 Cb -0.14 -2.30 0.10 0.00 -1.78 0.00 0.00 34.13 30.01 1p6t s GLU 74 CO -0.04 0.37 1.36 -1.59 -0.49 0.00 0.00 175.26 174.87 1p6t s LYS 75 N -0.10 3.69 0.46 1.61 -2.85 -1.26 -1.94 119.74 119.35 1p6t s LYS 75 Ca -0.04 -1.62 -0.11 0.00 -1.00 0.00 0.00 55.97 53.20 1p6t s LYS 75 Cb -0.14 -5.19 -0.06 0.00 -2.06 0.00 0.00 37.83 30.38 1p6t s LYS 75 CO 0.04 -2.01 0.84 0.00 0.10 0.00 0.00 175.35 174.33 1p6t s ALA 76 N 3.68 3.27 -0.11 0.59 0.00 0.29 -4.87 121.76 124.61 1p6t s ALA 76 Ca 0.42 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1p6t s ALA 76 Cb -0.02 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1p6t s ALA 76 CO -0.07 -0.18 -0.14 -1.21 0.00 0.00 0.00 175.76 174.17 1p6t s GLU 77 N -4.16 3.19 -0.01 0.00 2.02 -1.26 -0.30 118.70 118.17 1p6t s GLU 77 Ca 0.53 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.88 1p6t s GLU 77 Cb -0.10 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1p6t s GLU 77 CO 0.36 0.29 -0.22 -0.06 0.02 0.00 0.00 175.26 175.65 1p6t s PHE 78 N 0.14 1.98 0.24 1.61 0.08 0.16 -2.75 117.98 119.45 1p6t s PHE 78 Ca -0.07 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.44 1p6t s PHE 78 Cb -0.15 -1.27 -0.08 0.00 -0.57 0.00 0.00 43.02 40.94 1p6t s PHE 78 CO 0.05 -0.03 0.69 0.34 -0.10 0.00 0.00 175.22 176.17 1p6t s ASP 79 N -0.55 6.90 -0.09 1.36 2.15 0.76 -0.28 116.67 126.92 1p6t s ASP 79 Ca 0.09 1.29 0.03 0.00 0.43 0.00 0.00 52.55 54.39 1p6t s ASP 79 Cb -0.09 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 1p6t s ASP 79 CO -0.01 -0.04 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.13 1p6t s ILE 80 N -1.69 1.68 -0.17 4.11 1.01 0.08 0.30 121.20 126.52 1p6t s ILE 80 Ca 0.46 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1p6t s ILE 80 Cb -0.14 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 1p6t s ILE 80 CO 0.20 0.48 -0.14 -1.61 0.00 0.00 0.00 174.94 173.86 1p6t s GLU 81 N 0.48 3.24 0.00 2.79 2.02 -0.42 -4.81 118.70 122.01 1p6t s GLU 81 Ca -0.17 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1p6t s GLU 81 Cb -0.17 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1p6t s GLU 81 CO 0.07 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.73 1p6t n GLY 82 N 4.18 1.05 3.75 -1.39 0.00 -1.26 -1.56 105.19 109.97 1p6t n GLY 82 Ca -0.19 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1p6t n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1p6t s MET 83 N 0.00 4.14 -0.21 1.61 0.23 -1.26 -4.92 119.30 118.89 1p6t s MET 83 Ca 0.00 2.54 -0.15 0.00 -1.03 0.00 0.00 55.69 57.05 1p6t s MET 83 Cb 0.00 -3.03 -0.19 0.00 -1.53 0.00 0.00 34.83 30.08 1p6t s MET 83 CO 0.00 -0.59 0.09 0.25 -2.03 0.00 0.00 175.02 172.74 1p6t n THR 84 N 2.02 1.59 0.00 3.16 -2.24 -1.26 -5.01 114.28 112.53 1p6t n THR 84 Ca 0.07 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1p6t n THR 84 Cb 0.38 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p6t n ALA 86 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.67 120.51 114.58 1p6t n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 86 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1p6t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 87 N -1.93 0.00 -0.03 0.00 0.00 -1.26 -5.02 120.51 112.27 1p6t n ALA 87 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1p6t n ALA 87 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1p6t n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 89 N 0.47 1.85 -0.30 0.00 0.00 -1.96 0.00 119.26 119.32 1p6t h ALA 89 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1p6t h ALA 89 Cb 0.72 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1p6t h ALA 89 CO 0.03 -0.03 -0.35 -0.91 0.00 0.00 0.00 179.25 177.99 1p6t h ASN 90 N 0.65 0.83 0.35 0.00 4.21 -1.88 0.18 115.58 119.92 1p6t h ASN 90 Ca 0.38 -0.48 -0.02 0.00 1.21 0.00 0.00 56.30 57.39 1p6t h ASN 90 Cb 0.57 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1p6t h ASN 90 CO -0.15 1.15 -0.17 0.03 -1.29 0.00 0.00 177.43 177.00 1p6t h ARG 91 N 0.53 -0.46 -0.26 0.81 -0.00 -0.37 -0.65 114.38 113.99 1p6t h ARG 91 Ca 0.04 0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.52 1p6t h ARG 91 Cb 0.93 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.99 1p6t h ARG 91 CO 0.08 -0.29 0.02 -0.84 0.00 0.00 0.00 179.97 178.95 1p6t h ILE 92 N -0.50 1.15 0.54 2.04 -0.00 -0.95 -0.18 117.51 119.61 1p6t h ILE 92 Ca -0.05 -0.56 -0.02 0.00 -0.00 0.00 0.00 64.86 64.24 1p6t h ILE 92 Cb 0.38 0.93 -0.01 0.00 -0.00 0.00 0.00 36.82 38.12 1p6t h ILE 92 CO 0.08 0.19 -0.43 -0.08 -0.00 0.00 0.00 178.15 177.91 1p6t h GLU 93 N 0.37 -0.90 -0.43 0.16 4.81 -0.50 0.14 114.58 118.24 1p6t h GLU 93 Ca 0.09 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1p6t h GLU 93 Cb 0.21 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1p6t h GLU 93 CO 0.00 -0.60 0.30 0.87 -0.73 0.00 0.00 179.01 178.86 1p6t h LYS 94 N -0.93 0.10 0.00 1.92 6.56 -0.56 0.18 116.57 123.84 1p6t h LYS 94 Ca -0.07 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1p6t h LYS 94 Cb 0.78 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1p6t h LYS 94 CO 0.01 0.06 -0.00 0.00 -2.06 0.00 0.00 179.45 177.46 1p6t h ARG 95 N 0.10 -0.01 -0.82 3.15 2.47 -0.71 -3.35 114.38 115.20 1p6t h ARG 95 Ca 0.20 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 59.14 1p6t h ARG 95 Cb 0.68 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 1p6t h ARG 95 CO -0.02 -0.00 0.57 -0.07 0.56 0.00 0.00 179.97 181.01 1p6t h LEU 96 N -0.01 0.15 -0.51 3.04 3.38 -0.28 -1.80 115.31 119.28 1p6t h LEU 96 Ca -0.00 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1p6t h LEU 96 Cb 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 1p6t h LEU 96 CO 0.00 0.06 0.06 -3.20 0.09 0.00 0.00 178.44 175.45 1p6t n ASN 97 N -4.38 -0.02 -2.75 -0.43 2.85 0.59 -3.25 115.26 107.87 1p6t n ASN 97 Ca 0.17 0.86 -0.08 0.00 -0.11 0.00 0.00 54.58 55.42 1p6t n ASN 97 Cb 0.79 -0.33 0.05 0.00 1.24 0.00 0.00 39.78 41.53 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1p6t n LYS 98 N -4.52 0.76 0.33 1.20 2.85 -0.68 -4.33 118.16 113.77 1p6t n LYS 98 Ca 0.13 -1.76 -0.14 0.00 -1.05 0.00 0.00 58.31 55.49 1p6t n LYS 98 Cb 0.44 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.29 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1p6t h ILE 99 N 3.14 0.01 0.00 0.58 1.08 -1.52 -3.49 117.51 117.31 1p6t h ILE 99 Ca -0.13 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1p6t h ILE 99 Cb 1.03 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1p6t h ILE 99 CO 0.31 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.15 1p6t n GLU 100 N -5.36 0.00 -1.19 2.37 -0.58 -1.26 -4.98 120.64 109.65 1p6t n GLU 100 Ca -0.11 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.38 1p6t n GLU 100 Cb 0.35 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.12 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 101 N 0.00 3.68 3.57 0.62 0.00 -1.25 -4.65 105.19 107.17 1p6t n GLY 101 Ca 0.00 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N 1.31 4.80 -0.09 1.61 1.01 -1.26 -0.89 120.40 126.88 1p6t s VAL 102 Ca 0.68 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 1p6t s VAL 102 Cb 0.26 -3.22 -0.23 0.00 0.00 0.00 0.00 36.38 33.19 1p6t s VAL 102 CO -0.04 0.37 0.95 0.00 0.00 0.00 0.00 175.10 176.39 1p6t h ALA 103 N 7.56 -0.01 -2.72 5.51 0.00 -0.85 -3.43 119.26 125.32 1p6t h ALA 103 Ca -0.37 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1p6t h ALA 103 Cb 1.17 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1p6t h ALA 103 CO 0.63 -0.12 -0.21 -0.80 0.00 0.00 0.00 179.25 178.75 1p6t s ASN 104 N -5.96 -0.05 -0.48 0.00 0.01 -0.57 -3.96 114.94 103.93 1p6t s ASN 104 Ca -0.17 -0.78 0.06 0.00 -0.71 0.00 0.00 52.86 51.26 1p6t s ASN 104 Cb -0.01 0.49 0.27 0.00 0.41 0.00 0.00 41.25 42.41 1p6t s ASN 104 CO 0.66 -0.96 0.96 0.00 -1.51 0.00 0.00 177.10 176.26 1p6t n ALA 105 N -0.26 -1.06 -1.77 0.60 0.00 -1.26 -0.41 120.51 116.35 1p6t n ALA 105 Ca -0.07 -1.49 -0.39 0.00 0.00 0.00 0.00 53.44 51.48 1p6t n ALA 105 Cb 0.63 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 1p6t n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p6t s PRO 106 N 0.46 4.44 0.13 0.00 0.04 -1.13 -4.56 135.00 134.38 1p6t s PRO 106 Ca 0.29 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1p6t s PRO 106 Cb 0.25 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1p6t s PRO 106 CO -0.17 0.06 0.03 0.14 0.04 0.00 0.00 177.00 177.10 1p6t s VAL 107 N -1.34 4.06 0.03 -0.36 -7.23 -1.26 -1.00 120.40 113.29 1p6t s VAL 107 Ca 0.50 -1.13 0.06 0.00 -1.81 0.00 0.00 61.98 59.60 1p6t s VAL 107 Cb -0.29 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 1p6t s VAL 107 CO 0.36 -0.00 -0.16 0.20 -0.31 0.00 0.00 175.10 175.19 1p6t s ASN 108 N -2.69 3.94 0.00 4.85 -0.87 0.36 -4.99 114.94 115.54 1p6t s ASN 108 Ca 0.28 -0.38 0.13 0.00 -1.57 0.00 0.00 52.86 51.32 1p6t s ASN 108 Cb -0.11 -0.69 0.27 0.00 -0.02 0.00 0.00 41.25 40.70 1p6t s ASN 108 CO 0.20 0.26 1.16 0.33 -2.57 0.00 0.00 177.10 176.47 1p6t n PHE 109 N 1.55 0.34 -0.01 2.20 -0.00 -1.26 -3.54 117.46 116.74 1p6t n PHE 109 Ca -0.16 -0.31 0.02 0.00 -0.00 0.00 0.00 57.45 57.00 1p6t n PHE 109 Cb 0.52 -0.01 -0.05 0.00 -0.00 0.00 0.00 39.48 39.94 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1p6t n ALA 110 N 0.73 2.16 0.29 3.13 0.00 -1.26 -4.64 120.51 120.92 1p6t n ALA 110 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1p6t n ALA 110 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 1p6t n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p6t n LEU 111 N -1.83 0.67 -4.01 0.00 4.77 -1.26 -5.01 117.00 110.32 1p6t n LEU 111 Ca -0.03 -0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 55.00 1p6t n LEU 111 Cb 0.28 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1p6t n LEU 111 CO 0.13 0.15 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.69 1p6t n GLU 112 N -0.70 -4.18 -4.38 3.23 4.71 -1.24 -4.87 120.64 113.20 1p6t n GLU 112 Ca 0.02 0.48 -0.21 0.00 -0.01 0.00 0.00 57.16 57.44 1p6t n GLU 112 Cb 0.12 -5.12 -0.10 0.00 -1.01 0.00 0.00 31.44 25.33 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1p6t s THR 113 N -3.47 1.99 -0.10 2.62 -4.23 -1.23 -0.74 115.64 110.47 1p6t s THR 113 Ca 0.48 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 1p6t s THR 113 Cb -0.25 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.52 1p6t s THR 113 CO 0.87 -0.45 -0.21 0.54 -0.54 0.00 0.00 174.62 174.84 1p6t s VAL 114 N -2.56 1.86 0.10 2.29 0.11 0.61 -0.48 120.40 122.33 1p6t s VAL 114 Ca 0.23 -0.89 -0.27 0.00 -2.93 0.00 0.00 61.98 58.12 1p6t s VAL 114 Cb -0.03 -1.63 -0.06 0.00 -1.53 0.00 0.00 36.38 33.12 1p6t s VAL 114 CO 0.09 0.51 0.85 -0.89 -3.33 0.00 0.00 175.10 172.34 1p6t s THR 115 N 0.57 4.54 -0.18 5.04 2.01 -0.17 -0.67 115.64 126.78 1p6t s THR 115 Ca -0.14 1.83 0.01 0.00 0.31 0.00 0.00 61.69 63.70 1p6t s THR 115 Cb -0.17 -4.21 0.04 0.00 0.01 0.00 0.00 72.50 68.17 1p6t s THR 115 CO 0.05 0.38 -0.11 0.54 -0.69 0.00 0.00 174.62 174.79 1p6t s VAL 116 N -0.30 1.56 -0.63 3.82 0.11 0.59 -2.85 120.40 122.70 1p6t s VAL 116 Ca 0.41 -0.85 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1p6t s VAL 116 Cb -0.22 -1.60 0.16 0.00 -1.53 0.00 0.00 36.38 33.19 1p6t s VAL 116 CO 0.27 0.25 0.45 -0.70 -3.33 0.00 0.00 175.10 172.03 1p6t s GLU 117 N 1.45 2.60 0.21 1.54 -6.30 0.45 -0.54 118.70 118.10 1p6t s GLU 117 Ca 0.01 -2.52 -0.07 0.00 -2.50 0.00 0.00 54.97 49.88 1p6t s GLU 117 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 34.13 30.20 1p6t s GLU 117 CO -0.09 -1.18 0.29 1.52 0.02 0.00 0.00 175.26 175.82 1p6t s TYR 118 N -0.05 0.69 -0.52 5.30 1.13 -0.82 -0.19 117.35 122.89 1p6t s TYR 118 Ca 0.17 -1.00 -0.17 0.00 -1.41 0.00 0.00 57.07 54.66 1p6t s TYR 118 Cb -0.20 -0.17 0.10 0.00 -1.10 0.00 0.00 41.96 40.59 1p6t s TYR 118 CO -0.04 -0.78 0.52 1.21 -2.51 0.00 0.00 175.55 173.95 1p6t s ASN 119 N -3.06 6.18 0.00 -0.18 3.84 -0.07 -0.68 114.94 120.97 1p6t s ASN 119 Ca 0.27 -1.49 0.00 0.00 0.21 0.00 0.00 52.86 51.86 1p6t s ASN 119 Cb 0.03 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1p6t s ASN 119 CO 0.08 -0.84 0.64 -0.81 -2.79 0.00 0.00 177.10 173.38 1p6t n PRO 120 N 5.52 0.67 -0.01 0.43 -0.04 -1.26 -0.78 135.00 139.53 1p6t n PRO 120 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1p6t n PRO 120 Cb 0.42 -1.03 -0.14 0.00 -0.04 0.00 0.00 33.50 32.71 1p6t n PRO 120 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1p6t n LYS 121 N -0.44 0.69 -0.03 0.54 -0.00 -1.26 -4.54 118.16 113.12 1p6t n LYS 121 Ca 0.00 0.28 -0.11 0.00 -0.00 0.00 0.00 58.31 58.48 1p6t n LYS 121 Cb 0.01 -1.75 -0.14 0.00 -0.00 0.00 0.00 35.03 33.15 1p6t n LYS 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1p6t n GLU 122 N -3.25 0.65 -2.34 -1.58 4.07 0.04 -4.98 120.64 113.25 1p6t n GLU 122 Ca -0.24 0.27 -0.04 0.00 -0.06 0.00 0.00 57.16 57.08 1p6t n GLU 122 Cb 1.05 -1.76 -0.01 0.00 -0.06 0.00 0.00 31.44 30.66 1p6t n GLU 122 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1p6t n ALA 123 N -2.64 0.03 -3.33 4.31 0.00 -1.08 -4.88 120.51 112.92 1p6t n ALA 123 Ca -0.21 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 1p6t n ALA 123 Cb 1.06 0.36 -0.03 0.00 0.00 0.00 0.00 19.45 20.84 1p6t n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1p6t s SER 124 N -1.56 0.17 0.33 0.00 0.15 -1.26 -4.31 113.70 107.22 1p6t s SER 124 Ca 0.08 -1.08 0.06 0.00 0.70 0.00 0.00 55.95 55.71 1p6t s SER 124 Cb 0.00 0.68 0.72 0.00 -1.71 0.00 0.00 66.02 65.71 1p6t s SER 124 CO 0.06 -1.33 1.85 0.58 1.20 0.00 0.00 173.24 175.60 1p6t h VAL 125 N 2.13 0.86 -0.78 4.45 2.07 -1.99 -0.21 116.25 122.77 1p6t h VAL 125 Ca -0.27 -0.28 0.16 0.00 0.82 0.00 0.00 66.70 67.13 1p6t h VAL 125 Cb 1.25 -0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 1p6t h VAL 125 CO 0.36 0.15 0.29 0.28 0.02 0.00 0.00 177.57 178.66 1p6t h SER 126 N 0.81 0.22 0.04 0.57 0.02 -1.98 0.15 113.55 113.38 1p6t h SER 126 Ca 0.47 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.55 1p6t h SER 126 Cb 0.64 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1p6t h SER 126 CO -0.24 0.05 -0.02 -0.78 -1.14 0.00 0.00 176.83 174.70 1p6t h ASP 127 N 0.39 -0.05 -0.53 3.07 1.82 -1.44 -0.41 116.42 119.27 1p6t h ASP 127 Ca 0.45 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1p6t h ASP 127 Cb 0.74 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 1p6t h ASP 127 CO -0.46 0.07 0.25 -0.07 -1.61 0.00 0.00 179.24 177.42 1p6t h LEU 128 N -0.16 0.71 0.04 2.28 3.38 -1.22 0.15 115.31 120.49 1p6t h LEU 128 Ca -0.01 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1p6t h LEU 128 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1p6t h LEU 128 CO 0.01 0.65 -0.22 0.11 0.09 0.00 0.00 178.44 179.08 1p6t h LYS 129 N 0.72 -0.29 -0.87 1.13 1.57 -0.69 -0.88 116.57 117.26 1p6t h LYS 129 Ca 0.18 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.20 1p6t h LYS 129 Cb 0.13 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.38 1p6t h LYS 129 CO -0.02 -0.20 0.29 1.49 -0.57 0.00 0.00 179.45 180.44 1p6t h GLU 130 N -0.30 0.27 0.63 3.15 4.22 0.29 0.27 114.58 123.10 1p6t h GLU 130 Ca -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.39 1p6t h GLU 130 Cb 0.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p6t h GLU 130 CO -0.12 0.18 -0.33 0.00 -2.18 0.00 0.00 179.01 176.56 1p6t h ALA 131 N 1.74 -0.88 -0.49 2.92 0.00 -0.64 0.75 119.26 122.67 1p6t h ALA 131 Ca 0.54 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1p6t h ALA 131 Cb 1.06 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1p6t h ALA 131 CO -0.59 -1.00 0.02 0.28 0.00 0.00 0.00 179.25 177.96 1p6t h VAL 132 N -0.88 1.24 -0.30 0.00 2.07 0.65 0.54 116.25 119.57 1p6t h VAL 132 Ca -0.08 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1p6t h VAL 132 Cb 0.68 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1p6t h VAL 132 CO 0.12 0.34 0.14 0.44 0.02 0.00 0.00 177.57 178.64 1p6t h ASP 133 N 0.75 0.20 -0.59 0.57 5.19 -0.47 0.99 116.42 123.06 1p6t h ASP 133 Ca 0.15 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 1p6t h ASP 133 Cb 0.42 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 1p6t h ASP 133 CO 0.02 0.16 0.32 0.11 -3.12 0.00 0.00 179.24 176.72 1p6t h LYS 134 N 0.30 0.60 0.00 3.56 1.57 -0.15 -1.18 116.57 121.27 1p6t h LYS 134 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1p6t h LYS 134 Cb 0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1p6t h LYS 134 CO -0.09 0.40 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.10 1p6t h LEU 135 N 0.62 0.00 -0.22 2.94 -0.00 -0.03 -3.46 115.31 115.15 1p6t h LEU 135 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1p6t h LEU 135 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1p6t h LEU 135 CO -0.16 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 178.90 1p6t n GLY 136 N -1.19 1.06 3.36 0.83 0.00 0.26 -5.08 105.19 104.43 1p6t n GLY 136 Ca -0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1p6t n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 137 N -2.22 1.75 0.03 1.61 2.02 -0.89 -5.01 117.35 114.64 1p6t s TYR 137 Ca 0.00 -1.55 0.06 0.00 -0.37 0.00 0.00 57.07 55.21 1p6t s TYR 137 Cb 0.00 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1p6t s TYR 137 CO 0.00 -0.70 -0.17 -1.59 -1.57 0.00 0.00 175.55 171.52 1p6t s LYS 138 N -3.54 1.21 0.28 -0.62 -2.85 -0.60 -3.44 119.74 110.18 1p6t s LYS 138 Ca 0.35 -0.80 -0.01 0.00 -1.00 0.00 0.00 55.97 54.51 1p6t s LYS 138 Cb 0.02 -1.26 -0.04 0.00 -2.06 0.00 0.00 37.83 34.50 1p6t s LYS 138 CO 0.23 0.32 0.48 -0.51 0.10 0.00 0.00 175.35 175.98 1p6t s LEU 139 N -0.99 4.12 0.29 2.77 1.43 -1.26 -1.30 118.68 123.74 1p6t s LEU 139 Ca 0.05 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1p6t s LEU 139 Cb -0.08 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1p6t s LEU 139 CO 0.01 -0.17 0.16 -0.54 0.23 0.00 0.00 176.35 176.04 1p6t s LYS 140 N -3.77 1.56 -0.08 1.70 1.02 0.15 -4.92 119.74 115.39 1p6t s LYS 140 Ca 0.40 -1.88 -0.08 0.00 0.02 0.00 0.00 55.97 54.43 1p6t s LYS 140 Cb -0.10 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1p6t s LYS 140 CO 0.32 -0.44 0.20 -0.51 -0.92 0.00 0.00 175.35 173.99 1p6t s LEU 141 N -3.35 4.40 -0.34 3.17 2.01 -1.26 -0.17 118.68 123.13 1p6t s LEU 141 Ca 0.36 0.56 -0.06 0.00 0.01 0.00 0.00 54.13 55.00 1p6t s LEU 141 Cb 0.05 -2.23 -0.17 0.00 0.01 0.00 0.00 46.19 43.85 1p6t s LEU 141 CO 0.17 0.38 3.34 0.29 1.01 0.00 0.00 176.35 181.54 1p6t n LYS 142 N 1.84 2.39 -2.09 1.70 4.76 -1.11 -4.41 118.16 121.25 1p6t n LYS 142 Ca -0.18 -1.49 -0.17 0.00 -2.87 0.00 0.00 58.31 53.59 1p6t n LYS 142 Cb 0.54 -2.15 -0.03 0.00 -1.84 0.00 0.00 35.03 31.55 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p6t n GLY 143 N 2.32 0.26 0.18 0.72 0.00 -1.26 -4.86 105.19 102.55 1p6t n GLY 143 Ca 0.49 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.37 1p6t n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p6t h GLU 144 N 0.00 0.02 0.38 1.61 4.39 -1.88 0.24 114.58 119.34 1p6t h GLU 144 Ca -0.39 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 1p6t h GLU 144 Cb 1.25 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1p6t h GLU 144 CO 0.50 0.40 -0.18 0.37 -1.16 0.00 0.00 179.01 178.93 1p6t h GLN 145 N 0.01 -0.49 -0.04 2.33 4.15 -1.91 -3.44 115.11 115.73 1p6t h GLN 145 Ca -0.00 0.03 -0.18 0.00 0.77 0.00 0.00 58.65 59.27 1p6t h GLN 145 Cb 0.69 0.11 -0.17 0.00 0.21 0.00 0.00 27.48 28.32 1p6t h GLN 145 CO 0.05 -0.33 -0.34 -0.25 -1.93 0.00 0.00 178.83 176.03 1p6t n ASP 146 N -3.49 -1.33 -3.99 -0.69 8.00 -1.17 -5.02 116.55 108.85 1p6t n ASP 146 Ca -0.06 -2.25 -0.31 0.00 0.71 0.00 0.00 54.79 52.88 1p6t n ASP 146 Cb 0.20 0.66 0.01 0.00 -0.02 0.00 0.00 41.12 41.97 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p6t n SER 147 N -1.33 -3.43 -3.35 -2.24 7.64 0.84 -2.20 113.62 109.55 1p6t n SER 147 Ca -0.14 -0.88 -0.18 0.00 1.01 0.00 0.00 58.87 58.68 1p6t n SER 147 Cb 0.87 -3.46 0.05 0.00 -1.01 0.00 0.00 64.21 60.67 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1p6t n ILE 148 N -4.52 -8.34 -2.09 0.44 5.41 -1.26 -4.96 119.36 104.04 1p6t n ILE 148 Ca -0.03 -1.09 -0.38 0.00 1.00 0.00 0.00 62.75 62.25 1p6t n ILE 148 Cb 0.55 -5.94 0.01 0.00 -0.71 0.00 0.00 39.64 33.54 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p6t s GLU 149 N -4.65 3.57 0.00 0.38 2.12 -0.94 -4.92 118.70 114.26 1p6t s GLU 149 Ca 0.40 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.68 1p6t s GLU 149 Cb -0.08 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1p6t s GLU 149 CO 0.78 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1p6t n GLY 150 N 0.55 -1.82 0.52 -1.50 0.00 -1.26 -5.10 105.19 96.58 1p6t n GLY 150 Ca 0.08 0.77 0.14 0.00 0.00 0.00 0.00 46.02 47.01 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19