#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t n LEU 2 N 0.00 -0.92 -4.32 -0.89 7.99 -1.26 -4.60 117.00 113.00 1p6t n LEU 2 Ca 0.00 2.12 -0.39 0.00 -0.01 0.00 0.00 56.01 57.72 1p6t n LEU 2 Cb 0.00 -4.24 -0.02 0.00 -0.11 0.00 0.00 43.42 39.05 1p6t n LEU 2 CO 0.00 -2.75 2.02 -1.20 -1.51 0.00 0.00 177.39 173.95 1p6t n SER 3 N -4.36 4.06 -3.33 -1.43 7.64 -1.26 -4.71 113.62 110.23 1p6t n SER 3 Ca -0.05 -2.83 -0.10 0.00 1.01 0.00 0.00 58.87 56.90 1p6t n SER 3 Cb 0.68 -1.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.15 1p6t n SER 3 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1p6t s GLU 4 N 4.62 0.38 -0.14 1.43 2.12 -1.26 -5.11 118.70 120.74 1p6t s GLU 4 Ca 0.56 0.23 -0.31 0.00 0.36 0.00 0.00 54.97 55.81 1p6t s GLU 4 Cb 0.06 -0.41 -0.09 0.00 0.26 0.00 0.00 34.13 33.95 1p6t s GLU 4 CO 0.06 -0.90 2.06 1.04 -0.54 0.00 0.00 175.26 176.99 1p6t n GLN 5 N 5.35 2.10 -2.22 4.30 1.13 -1.26 -4.49 117.38 122.30 1p6t n GLN 5 Ca -0.01 0.70 -0.28 0.00 -1.94 0.00 0.00 57.00 55.47 1p6t n GLN 5 Cb 0.49 -2.89 0.04 0.00 0.11 0.00 0.00 30.24 27.99 1p6t n GLN 5 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1p6t s LYS 6 N 5.22 2.80 -0.49 -1.09 -2.85 -0.85 -4.83 119.74 117.65 1p6t s LYS 6 Ca 0.97 0.10 0.03 0.00 -1.00 0.00 0.00 55.97 56.07 1p6t s LYS 6 Cb -0.55 -2.18 0.14 0.00 -2.06 0.00 0.00 37.83 33.18 1p6t s LYS 6 CO 0.44 -0.88 0.28 -1.21 0.10 0.00 0.00 175.35 174.08 1p6t s GLU 7 N -5.14 1.60 -0.38 1.78 8.01 -1.26 -2.20 118.70 121.11 1p6t s GLU 7 Ca 0.56 -2.35 -0.25 0.00 0.01 0.00 0.00 54.97 52.94 1p6t s GLU 7 Cb -0.11 -2.68 0.02 0.00 -4.31 0.00 0.00 34.13 27.05 1p6t s GLU 7 CO 0.47 -1.18 0.90 -1.50 0.01 0.00 0.00 175.26 173.96 1p6t s ILE 8 N -0.07 4.60 -0.30 -1.63 1.10 -0.03 -4.87 121.20 120.00 1p6t s ILE 8 Ca 0.19 1.09 -0.04 0.00 -0.51 0.00 0.00 60.65 61.38 1p6t s ILE 8 Cb -0.20 -4.32 0.03 0.00 0.15 0.00 0.00 42.46 38.12 1p6t s ILE 8 CO -0.03 -0.55 0.03 0.00 -2.11 0.00 0.00 174.94 172.27 1p6t s ALA 9 N 3.44 2.90 0.21 1.50 0.00 -1.26 -0.86 121.76 127.68 1p6t s ALA 9 Ca 0.37 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1p6t s ALA 9 Cb -0.12 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1p6t s ALA 9 CO 0.19 -1.12 -0.05 -1.64 0.00 0.00 0.00 175.76 173.14 1p6t s MET 10 N 1.35 1.29 -0.18 0.00 -1.94 -0.06 -3.85 119.30 115.91 1p6t s MET 10 Ca -0.02 -1.62 -0.22 0.00 -1.71 0.00 0.00 55.69 52.13 1p6t s MET 10 Cb -0.19 -0.73 -0.02 0.00 2.01 0.00 0.00 34.83 35.90 1p6t s MET 10 CO -0.00 -0.01 0.67 -1.14 -0.01 0.00 0.00 175.02 174.53 1p6t s GLN 11 N -3.79 4.24 0.17 2.03 0.74 -1.26 -0.58 119.66 121.21 1p6t s GLN 11 Ca 0.25 0.70 0.08 0.00 0.05 0.00 0.00 55.36 56.44 1p6t s GLN 11 Cb 0.04 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 1p6t s GLN 11 CO 0.07 -0.23 -0.17 0.54 -0.55 0.00 0.00 175.29 174.94 1p6t s VAL 12 N 1.87 1.78 0.42 1.34 0.11 -1.26 -0.96 120.40 123.70 1p6t s VAL 12 Ca 0.31 -1.95 0.07 0.00 -2.93 0.00 0.00 61.98 57.48 1p6t s VAL 12 Cb -0.16 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.79 1p6t s VAL 12 CO 0.11 -0.36 0.22 -0.44 -3.33 0.00 0.00 175.10 171.29 1p6t s SER 13 N -2.76 4.52 0.00 3.54 0.01 0.18 -4.77 113.70 114.43 1p6t s SER 13 Ca 0.16 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1p6t s SER 13 Cb -0.05 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1p6t s SER 13 CO 0.07 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1p6t n GLY 14 N -1.30 0.92 3.47 3.44 0.00 -1.26 -3.63 105.19 106.83 1p6t n GLY 14 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1p6t n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 15 N -1.39 0.75 0.08 1.61 2.00 -1.26 -4.63 117.12 114.27 1p6t n MET 15 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 57.70 55.82 1p6t n MET 15 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 33.22 29.85 1p6t n MET 15 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1p6t h THR 16 N 5.72 1.45 -1.64 2.03 2.02 -1.98 -3.48 112.91 117.03 1p6t h THR 16 Ca 0.20 -2.51 0.29 0.00 0.77 0.00 0.00 66.41 65.16 1p6t h THR 16 Cb 0.85 2.42 -0.12 0.00 -1.74 0.00 0.00 68.15 69.56 1p6t h THR 16 CO 1.49 0.74 0.75 0.00 0.37 0.00 0.00 175.52 178.88 1p6t h ALA 18 N 2.00 2.31 -0.83 0.00 0.00 -1.99 0.54 119.26 121.29 1p6t h ALA 18 Ca -0.27 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1p6t h ALA 18 Cb 1.21 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1p6t h ALA 18 CO 0.27 -0.70 0.50 0.00 0.00 0.00 0.00 179.25 179.32 1p6t h ALA 19 N 1.60 1.17 0.10 0.00 0.00 -1.98 0.16 119.26 120.32 1p6t h ALA 19 Ca 0.59 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 1p6t h ALA 19 Cb 1.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1p6t h ALA 19 CO -0.27 0.18 -0.05 0.00 0.00 0.00 0.00 179.25 179.11 1p6t h ALA 21 N 0.08 -0.53 -1.00 0.00 0.00 -1.44 -0.24 119.26 116.14 1p6t h ALA 21 Ca -0.01 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1p6t h ALA 21 Cb 0.54 1.22 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 1p6t h ALA 21 CO 0.02 -0.82 0.62 0.00 0.00 0.00 0.00 179.25 179.07 1p6t h ALA 22 N 0.03 1.52 -0.67 0.00 0.00 -0.59 0.21 119.26 119.77 1p6t h ALA 22 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 22 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1p6t h ALA 22 CO -0.66 0.18 0.36 0.00 0.00 0.00 0.00 179.25 179.12 1p6t h ARG 23 N 0.95 0.94 0.18 0.00 2.47 0.09 0.87 114.38 119.89 1p6t h ARG 23 Ca 0.51 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 59.10 1p6t h ARG 23 Cb 0.55 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1p6t h ARG 23 CO -0.29 0.72 -0.09 0.82 0.56 0.00 0.00 179.97 181.70 1p6t h ILE 24 N 0.92 0.92 -0.25 2.04 2.04 0.92 0.19 117.51 124.29 1p6t h ILE 24 Ca 0.23 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1p6t h ILE 24 Cb 0.06 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1p6t h ILE 24 CO -0.04 0.12 -0.11 -0.33 0.00 0.00 0.00 178.15 177.80 1p6t h GLU 25 N -0.50 -0.07 -0.20 2.37 5.08 -0.50 0.27 114.58 121.04 1p6t h GLU 25 Ca -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1p6t h GLU 25 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1p6t h GLU 25 CO 0.04 -0.04 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.72 1p6t h LYS 26 N -0.07 0.40 -0.72 2.33 3.64 -0.87 0.49 116.57 121.78 1p6t h LYS 26 Ca 0.13 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1p6t h LYS 26 Cb 0.27 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1p6t h LYS 26 CO -0.30 0.67 0.38 0.78 -2.27 0.00 0.00 179.45 178.71 1p6t h GLY 27 N 0.11 1.08 1.12 5.01 0.00 -0.01 -2.03 103.07 108.34 1p6t h GLY 27 Ca 0.05 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 1p6t h GLY 27 CO 0.02 0.09 -0.58 1.41 0.00 0.00 0.00 176.54 177.49 1p6t h LEU 28 N 0.65 0.93 -2.12 3.11 -0.00 -0.42 -2.89 115.31 114.57 1p6t h LEU 28 Ca 0.34 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1p6t h LEU 28 Cb 0.32 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1p6t h LEU 28 CO -0.24 1.32 0.30 0.50 -0.00 0.00 0.00 178.44 180.31 1p6t h LYS 29 N 0.57 0.00 0.00 1.13 1.63 -0.20 0.54 116.57 120.24 1p6t h LYS 29 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1p6t h LYS 29 Cb 1.20 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1p6t h LYS 29 CO 0.13 0.00 -0.04 -0.09 -3.45 0.00 0.00 179.45 176.00 1p6t h ARG 30 N 0.00 0.00 -6.99 1.90 2.43 -1.20 -3.43 114.38 107.09 1p6t h ARG 30 Ca 0.01 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.72 1p6t h ARG 30 Cb 0.60 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1p6t h ARG 30 CO -0.00 0.04 0.34 -1.64 -1.51 0.00 0.00 179.97 177.20 1p6t s MET 31 N -4.26 4.37 0.08 0.20 -1.94 0.18 -5.01 119.30 112.92 1p6t s MET 31 Ca -0.04 1.20 -0.18 0.00 -1.71 0.00 0.00 55.69 54.97 1p6t s MET 31 Cb 0.13 -2.42 -0.09 0.00 2.01 0.00 0.00 34.83 34.45 1p6t s MET 31 CO 0.51 0.09 1.45 -1.00 -0.01 0.00 0.00 175.02 176.06 1p6t h PRO 32 N 2.41 0.51 -0.16 2.03 0.13 -1.87 -3.22 132.00 131.82 1p6t h PRO 32 Ca -0.48 -0.22 -0.07 0.00 -0.87 0.00 0.00 66.00 64.36 1p6t h PRO 32 Cb 1.18 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1p6t h PRO 32 CO 0.63 0.76 -0.22 0.78 -0.23 0.00 0.00 178.00 179.72 1p6t h GLY 33 N 0.23 0.31 -7.36 1.56 0.00 -1.89 -3.41 103.07 92.52 1p6t h GLY 33 Ca 0.06 -0.22 -0.51 0.00 0.00 0.00 0.00 47.33 46.65 1p6t h GLY 33 CO 0.03 0.21 1.59 -0.62 0.00 0.00 0.00 176.54 177.75 1p6t n VAL 34 N -4.18 0.07 -0.07 4.60 0.31 -1.22 -0.74 118.33 117.09 1p6t n VAL 34 Ca -0.01 -0.65 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 1p6t n VAL 34 Cb 0.35 -2.62 -0.09 0.00 -0.91 0.00 0.00 33.84 30.56 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 7.51 1.12 -2.58 2.52 2.02 -1.01 -3.46 112.91 119.04 1p6t h THR 35 Ca -0.29 -1.96 -0.11 0.00 0.77 0.00 0.00 66.41 64.82 1p6t h THR 35 Cb 1.26 2.23 -0.27 0.00 -1.74 0.00 0.00 68.15 69.63 1p6t h THR 35 CO 1.09 0.38 -0.34 -0.62 0.37 0.00 0.00 175.52 176.40 1p6t s ASP 36 N -6.21 -0.35 -0.18 4.18 2.15 -0.04 -5.02 116.67 111.19 1p6t s ASP 36 Ca -0.18 0.94 -0.05 0.00 0.43 0.00 0.00 52.55 53.69 1p6t s ASP 36 Cb 0.00 1.07 -0.03 0.00 -0.30 0.00 0.00 42.92 43.66 1p6t s ASP 36 CO 0.50 -0.22 0.00 0.00 -0.17 0.00 0.00 175.17 175.29 1p6t s ALA 37 N 2.06 3.11 0.06 3.66 0.00 -1.26 -0.20 121.76 129.19 1p6t s ALA 37 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1p6t s ALA 37 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1p6t s ALA 37 CO -0.13 0.04 -0.06 -0.80 0.00 0.00 0.00 175.76 174.81 1p6t s ASN 38 N 0.65 0.82 -0.25 0.00 0.01 -0.25 -4.77 114.94 111.16 1p6t s ASN 38 Ca -0.00 -0.70 -0.04 0.00 -0.71 0.00 0.00 52.86 51.41 1p6t s ASN 38 Cb -0.14 0.07 0.13 0.00 0.41 0.00 0.00 41.25 41.73 1p6t s ASN 38 CO 0.02 -0.32 0.45 0.54 -1.51 0.00 0.00 177.10 176.29 1p6t s VAL 39 N -2.21 -0.73 -0.98 1.60 0.11 -1.26 -0.61 120.40 116.32 1p6t s VAL 39 Ca -0.03 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 1p6t s VAL 39 Cb -0.04 -0.83 0.09 0.00 -1.53 0.00 0.00 36.38 34.07 1p6t s VAL 39 CO -0.02 -0.04 1.30 0.20 -3.33 0.00 0.00 175.10 173.20 1p6t s ASN 40 N 2.66 6.57 0.63 3.54 -0.87 0.36 -4.81 114.94 123.01 1p6t s ASN 40 Ca 0.10 -1.76 0.29 0.00 -1.57 0.00 0.00 52.86 49.91 1p6t s ASN 40 Cb -0.14 -2.49 1.52 0.00 -0.02 0.00 0.00 41.25 40.12 1p6t s ASN 40 CO -0.16 -1.29 1.89 0.17 -2.57 0.00 0.00 177.10 175.14 1p6t h LEU 41 N 11.62 0.00 -0.65 0.60 -0.00 -1.95 0.29 115.31 125.22 1p6t h LEU 41 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.93 1p6t h LEU 41 Cb 1.02 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 1p6t h LEU 41 CO 1.27 0.00 -0.62 0.00 -0.00 0.00 0.00 178.44 179.09 1p6t h ALA 42 N 1.35 0.88 0.00 0.17 0.00 -1.96 -3.28 119.26 116.42 1p6t h ALA 42 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p6t h ALA 42 Cb 0.91 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1p6t h ALA 42 CO -0.00 0.78 -0.09 0.25 0.00 0.00 0.00 179.25 180.18 1p6t n THR 43 N -3.66 0.95 -4.00 0.00 -2.24 -0.56 -5.03 114.28 99.75 1p6t n THR 43 Ca -0.01 -1.09 -0.28 0.00 -2.27 0.00 0.00 64.05 60.41 1p6t n THR 43 Cb 0.65 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.65 -2.53 -3.83 -0.78 1.02 0.93 -4.98 120.64 109.82 1p6t n GLU 44 Ca 0.06 0.34 -0.27 0.00 -0.02 0.00 0.00 57.16 57.26 1p6t n GLU 44 Cb 0.51 -4.22 -0.17 0.00 -0.02 0.00 0.00 31.44 27.55 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 -3.97 0.86 -0.15 2.62 2.01 -0.90 -4.01 115.64 112.10 1p6t s THR 45 Ca 0.07 -0.56 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1p6t s THR 45 Cb -0.03 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1p6t s THR 45 CO 0.91 0.02 0.58 0.54 -0.69 0.00 0.00 174.62 175.98 1p6t s VAL 46 N 1.73 5.09 -0.19 3.82 0.11 0.26 -0.49 120.40 130.72 1p6t s VAL 46 Ca 0.00 1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 60.18 1p6t s VAL 46 Cb -0.16 -3.91 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 1p6t s VAL 46 CO -0.07 0.21 -0.03 0.54 -3.33 0.00 0.00 175.10 172.42 1p6t s ASN 47 N 0.95 3.10 -0.13 3.54 2.20 0.22 -0.88 114.94 123.93 1p6t s ASN 47 Ca 0.29 -0.83 0.02 0.00 -0.94 0.00 0.00 52.86 51.40 1p6t s ASN 47 Cb -0.16 -0.89 0.00 0.00 -2.00 0.00 0.00 41.25 38.21 1p6t s ASN 47 CO 0.12 -0.23 -0.20 -0.69 -2.94 0.00 0.00 177.10 173.15 1p6t s VAL 48 N 1.64 2.27 -0.27 3.54 1.01 -0.04 -1.09 120.40 127.45 1p6t s VAL 48 Ca -0.01 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1p6t s VAL 48 Cb -0.17 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1p6t s VAL 48 CO -0.07 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 174.99 1p6t s ILE 49 N 0.69 3.84 0.23 2.22 1.01 0.72 -0.85 121.20 129.05 1p6t s ILE 49 Ca -0.09 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1p6t s ILE 49 Cb -0.16 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.43 1p6t s ILE 49 CO 0.01 0.19 0.61 -0.72 0.00 0.00 0.00 174.94 175.03 1p6t s TYR 50 N 1.50 -0.17 -0.18 3.97 1.13 -0.93 -0.47 117.35 122.19 1p6t s TYR 50 Ca 0.04 -0.20 -0.27 0.00 -1.41 0.00 0.00 57.07 55.23 1p6t s TYR 50 Cb -0.16 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1p6t s TYR 50 CO 0.01 -1.04 0.90 0.34 -2.51 0.00 0.00 175.55 173.25 1p6t s ASP 51 N -2.88 7.01 0.00 -0.18 -1.08 0.08 -2.00 116.67 117.61 1p6t s ASP 51 Ca 0.10 1.25 -0.03 0.00 -0.52 0.00 0.00 52.55 53.34 1p6t s ASP 51 Cb -0.03 -2.48 -0.16 0.00 -1.46 0.00 0.00 42.92 38.79 1p6t s ASP 51 CO 0.00 -0.48 2.78 -0.81 0.52 0.00 0.00 175.17 177.19 1p6t n PRO 52 N 5.51 1.48 -0.60 4.34 -0.04 -1.26 -3.19 135.00 141.24 1p6t n PRO 52 Ca 0.07 -0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 62.92 1p6t n PRO 52 Cb 0.48 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.20 1.59 0.00 0.55 0.00 -1.26 0.84 120.51 124.43 1p6t n ALA 53 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 53 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.19 -5.03 120.64 115.44 1p6t n GLU 54 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1p6t n GLU 54 Cb 0.44 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 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 -2.00 0.00 0.00 2.62 -1.04 -1.24 -4.79 114.28 107.83 1p6t n THR 55 Ca 0.00 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1p6t n THR 55 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 2.87 2.82 0.32 3.41 0.00 -1.26 -4.63 105.19 108.72 1p6t n GLY 56 Ca 0.00 -1.26 0.18 0.00 0.00 0.00 0.00 46.02 44.94 1p6t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6t h THR 57 N 0.00 0.32 -0.89 2.61 1.03 -1.93 0.35 112.91 114.39 1p6t h THR 57 Ca 0.00 -0.10 0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1p6t h THR 57 Cb 0.00 0.01 -0.04 0.00 -1.07 0.00 0.00 68.15 67.05 1p6t h THR 57 CO 0.00 0.05 0.58 0.00 -0.01 0.00 0.00 175.52 176.14 1p6t h ALA 58 N 1.81 1.34 -0.19 0.00 0.00 -1.91 -0.94 119.26 119.38 1p6t h ALA 58 Ca 0.64 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.34 1p6t h ALA 58 Cb 1.37 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1p6t h ALA 58 CO -0.62 0.60 -0.49 0.00 0.00 0.00 0.00 179.25 178.74 1p6t h ALA 59 N 1.43 0.81 0.36 0.00 0.00 -0.60 0.20 119.26 121.45 1p6t h ALA 59 Ca 0.33 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 59 Cb -0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1p6t h ALA 59 CO -0.07 0.67 -0.40 0.82 0.00 0.00 0.00 179.25 180.27 1p6t h ILE 60 N 0.39 0.20 -0.74 0.00 1.08 -0.48 -0.65 117.51 117.32 1p6t h ILE 60 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1p6t h ILE 60 Cb 1.00 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1p6t h ILE 60 CO 0.09 0.00 0.31 0.06 -0.69 0.00 0.00 178.15 177.92 1p6t h GLN 61 N -0.79 1.08 -0.93 2.37 3.07 -1.09 -1.36 115.11 117.46 1p6t h GLN 61 Ca -0.03 -0.18 0.12 0.00 0.09 0.00 0.00 58.65 58.66 1p6t h GLN 61 Cb 0.72 -0.18 -0.09 0.00 0.08 0.00 0.00 27.48 28.01 1p6t h GLN 61 CO -0.09 0.86 0.56 1.49 0.09 0.00 0.00 178.83 181.74 1p6t h GLU 62 N 1.06 0.84 -0.28 0.06 4.81 -0.25 0.15 114.58 120.97 1p6t h GLU 62 Ca 0.25 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1p6t h GLU 62 Cb 0.18 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1p6t h GLU 62 CO -0.02 0.55 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.27 1p6t h LYS 63 N 0.86 0.70 -0.39 1.92 1.63 -0.03 0.91 116.57 122.18 1p6t h LYS 63 Ca 0.47 -0.39 0.08 0.00 -0.85 0.00 0.00 60.65 59.97 1p6t h LYS 63 Cb 0.52 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.09 1p6t h LYS 63 CO -0.29 1.00 -0.17 0.82 -3.45 0.00 0.00 179.45 177.37 1p6t h ILE 64 N 0.44 0.48 -0.51 2.00 2.04 -0.62 0.19 117.51 121.53 1p6t h ILE 64 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1p6t h ILE 64 Cb 0.90 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1p6t h ILE 64 CO 0.08 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 178.09 1p6t h GLU 65 N -0.09 0.77 -0.80 2.37 5.08 -0.54 -1.26 114.58 120.11 1p6t h GLU 65 Ca 0.19 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1p6t h GLU 65 Cb 0.38 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1p6t h GLU 65 CO -0.45 0.69 0.52 0.87 -1.00 0.00 0.00 179.01 179.65 1p6t h LYS 66 N 0.69 0.86 0.00 2.33 1.57 -0.31 0.14 116.57 121.84 1p6t h LYS 66 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1p6t h LYS 66 Cb 0.21 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1p6t h LYS 66 CO -0.01 0.57 0.00 1.28 -0.57 0.00 0.00 179.45 180.71 1p6t n LEU 67 N -4.48 0.00 0.00 2.94 4.77 0.63 -4.87 117.00 115.99 1p6t n LEU 67 Ca 0.12 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1p6t n LEU 67 Cb 0.21 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1p6t n LEU 67 CO 0.33 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1p6t n GLY 68 N -0.02 0.52 4.02 -0.72 0.00 0.48 -5.06 105.19 104.40 1p6t n GLY 68 Ca 0.09 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 1.83 -0.12 1.61 1.51 -0.57 -4.95 117.35 114.66 1p6t s TYR 69 Ca 0.00 -0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 1p6t s TYR 69 Cb 0.00 -2.44 0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1p6t s TYR 69 CO 0.00 -1.10 0.29 -1.01 -1.11 0.00 0.00 175.55 172.63 1p6t s HIS 70 N -2.70 -0.37 -0.10 2.71 3.76 -1.24 -4.28 115.29 113.07 1p6t s HIS 70 Ca 0.61 0.86 -0.16 0.00 -0.15 0.00 0.00 55.06 56.22 1p6t s HIS 70 Cb -0.07 0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.69 1p6t s HIS 70 CO 0.39 -0.21 0.40 0.14 -0.85 0.00 0.00 174.74 174.61 1p6t s VAL 71 N 0.75 5.19 -1.41 -0.90 -7.23 -1.26 -0.65 120.40 114.89 1p6t s VAL 71 Ca -0.05 0.79 -0.11 0.00 -1.81 0.00 0.00 61.98 60.80 1p6t s VAL 71 Cb -0.06 -3.73 0.08 0.00 0.56 0.00 0.00 36.38 33.23 1p6t s VAL 71 CO -0.05 0.41 2.21 0.52 -0.31 0.00 0.00 175.10 177.88 1p6t n VAL 72 N 3.15 4.02 -4.81 1.32 0.31 -0.13 -4.89 118.33 117.29 1p6t n VAL 72 Ca -0.10 -3.55 -0.28 0.00 -0.01 0.00 0.00 64.34 60.39 1p6t n VAL 72 Cb 0.52 -2.48 -0.14 0.00 -0.91 0.00 0.00 33.84 30.83 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 1.73 1.95 0.04 2.52 2.01 -1.26 -4.29 115.64 118.34 1p6t s THR 73 Ca 0.48 -1.30 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1p6t s THR 73 Cb 0.13 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1p6t s THR 73 CO -0.05 0.31 -0.17 -1.83 -0.69 0.00 0.00 174.62 172.19 1p6t s GLU 74 N -1.20 1.12 -0.62 4.92 -1.05 0.34 -4.89 118.70 117.32 1p6t s GLU 74 Ca 0.10 -0.82 -0.25 0.00 -0.15 0.00 0.00 54.97 53.85 1p6t s GLU 74 Cb -0.09 -1.17 0.04 0.00 -0.44 0.00 0.00 34.13 32.47 1p6t s GLU 74 CO 0.02 0.29 1.06 -1.59 0.95 0.00 0.00 175.26 175.99 1p6t s LYS 75 N -1.13 3.28 0.06 -4.83 -2.85 -1.26 -1.09 119.74 111.91 1p6t s LYS 75 Ca 0.04 -0.32 0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1p6t s LYS 75 Cb -0.08 -4.12 -0.04 0.00 -2.06 0.00 0.00 37.83 31.53 1p6t s LYS 75 CO 0.01 -1.74 0.11 0.00 0.10 0.00 0.00 175.35 173.84 1p6t s ALA 76 N 4.50 3.66 -0.22 0.59 0.00 0.33 -4.97 121.76 125.65 1p6t s ALA 76 Ca 0.31 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1p6t s ALA 76 Cb -0.12 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.50 1p6t s ALA 76 CO 0.17 0.76 -0.12 -1.21 0.00 0.00 0.00 175.76 175.36 1p6t s GLU 77 N -2.30 2.28 0.11 0.00 2.02 -1.26 -0.38 118.70 119.17 1p6t s GLU 77 Ca 0.29 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 54.24 1p6t s GLU 77 Cb -0.12 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1p6t s GLU 77 CO 0.22 -0.46 0.18 -0.06 0.02 0.00 0.00 175.26 175.16 1p6t s PHE 78 N 1.25 3.34 -0.02 1.61 0.40 0.58 -1.26 117.98 123.88 1p6t s PHE 78 Ca -0.04 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1p6t s PHE 78 Cb -0.17 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1p6t s PHE 78 CO -0.08 0.54 -0.08 0.34 0.70 0.00 0.00 175.22 176.64 1p6t s ASP 79 N -2.80 4.56 -0.15 1.36 -1.08 0.76 -0.35 116.67 118.97 1p6t s ASP 79 Ca 0.32 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 52.26 1p6t s ASP 79 Cb -0.12 -1.08 0.01 0.00 -1.46 0.00 0.00 42.92 40.28 1p6t s ASP 79 CO 0.26 0.31 -0.20 -0.63 0.52 0.00 0.00 175.17 175.43 1p6t s ILE 80 N -0.91 1.98 -0.35 4.11 1.01 -0.01 -0.17 121.20 126.86 1p6t s ILE 80 Ca 0.15 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1p6t s ILE 80 Cb -0.11 -1.77 0.55 0.00 0.01 0.00 0.00 42.46 41.14 1p6t s ILE 80 CO 0.05 0.53 1.60 1.21 0.00 0.00 0.00 174.94 178.33 1p6t n GLU 81 N 4.33 2.05 0.00 2.79 2.13 -0.39 -4.40 120.64 127.15 1p6t n GLU 81 Ca -0.20 -3.20 0.00 0.00 0.66 0.00 0.00 57.16 54.42 1p6t n GLU 81 Cb 0.51 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 82 N -1.11 0.00 3.26 8.31 0.00 -1.26 -4.69 105.19 109.70 1p6t n GLY 82 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.43 -3.22 -1.51 1.61 0.23 -1.26 -4.02 119.30 109.71 1p6t s MET 83 Ca 0.00 0.15 -0.13 0.00 -1.03 0.00 0.00 55.69 54.69 1p6t s MET 83 Cb 0.00 -1.34 0.08 0.00 -1.53 0.00 0.00 34.83 32.04 1p6t s MET 83 CO 0.00 -5.07 0.91 -2.37 -2.03 0.00 0.00 175.02 166.46 1p6t n THR 84 N -5.78 -1.90 0.15 3.16 5.66 -1.26 -4.73 114.28 109.59 1p6t n THR 84 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1p6t n THR 84 Cb 0.60 -2.78 0.00 0.00 -1.55 0.00 0.00 70.33 66.60 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t n ALA 86 N -3.32 4.36 -3.55 0.00 0.00 -1.26 -4.95 120.51 111.78 1p6t n ALA 86 Ca 0.00 -3.79 -0.26 0.00 0.00 0.00 0.00 53.44 49.39 1p6t n ALA 86 Cb 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.34 -1.11 -0.17 0.00 0.00 -1.26 -4.84 120.51 112.78 1p6t n ALA 87 Ca 0.27 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1p6t n ALA 87 Cb 0.74 -3.13 0.01 0.00 0.00 0.00 0.00 19.45 17.07 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 1.01 1.19 -0.55 0.00 0.00 -1.92 0.25 119.26 119.23 1p6t h ALA 89 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 89 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1p6t h ALA 89 CO -0.00 0.30 -0.01 -0.91 0.00 0.00 0.00 179.25 178.63 1p6t h ASN 90 N 1.00 0.97 0.67 0.00 2.35 -1.44 0.44 115.58 119.56 1p6t h ASN 90 Ca 0.37 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1p6t h ASN 90 Cb 0.15 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.26 1p6t h ASN 90 CO -0.17 1.05 -0.32 0.03 -1.65 0.00 0.00 177.43 176.37 1p6t h ARG 91 N 0.87 -0.86 0.00 0.81 -0.00 -0.24 -3.20 114.38 111.75 1p6t h ARG 91 Ca 0.15 0.06 -0.03 0.00 -0.50 0.00 0.00 59.98 59.67 1p6t h ARG 91 Cb 0.56 0.20 -0.00 0.00 0.00 0.00 0.00 29.97 30.72 1p6t h ARG 91 CO 0.03 -0.57 -0.12 -0.84 0.00 0.00 0.00 179.97 178.47 1p6t h ILE 92 N -0.91 0.70 0.34 2.04 3.07 -0.43 -2.24 117.51 120.07 1p6t h ILE 92 Ca -0.09 -0.50 -0.00 0.00 1.55 0.00 0.00 64.86 65.82 1p6t h ILE 92 Cb 0.69 1.30 -0.03 0.00 -0.27 0.00 0.00 36.82 38.52 1p6t h ILE 92 CO 0.15 0.12 -0.49 -0.08 -1.05 0.00 0.00 178.15 176.80 1p6t h GLU 93 N 0.00 -0.83 -0.29 0.16 4.81 -0.90 0.41 114.58 117.93 1p6t h GLU 93 Ca -0.00 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1p6t h GLU 93 Cb 0.29 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1p6t h GLU 93 CO 0.02 -0.55 0.15 0.87 -0.73 0.00 0.00 179.01 178.76 1p6t h LYS 94 N -0.86 0.39 0.00 1.92 1.79 -1.43 0.23 116.57 118.61 1p6t h LYS 94 Ca -0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1p6t h LYS 94 Cb 0.79 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1p6t h LYS 94 CO -0.14 0.30 0.00 0.54 -1.08 0.00 0.00 179.45 179.07 1p6t n ARG 95 N -4.45 0.00 -0.04 3.15 5.12 -0.96 -4.13 116.66 115.35 1p6t n ARG 95 Ca 0.01 0.44 0.22 0.00 -1.93 0.00 0.00 57.85 56.59 1p6t n ARG 95 Cb 0.10 -1.12 0.70 0.00 -1.16 0.00 0.00 32.46 30.98 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1p6t h LEU 96 N 0.00 0.00 -0.74 0.55 3.38 -0.15 -0.66 115.31 117.69 1p6t h LEU 96 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 1p6t h LEU 96 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1p6t h LEU 96 CO 0.00 0.00 0.05 0.59 0.09 0.00 0.00 178.44 179.17 1p6t n ASN 97 N -4.33 -0.06 -2.75 -0.43 5.03 0.79 -3.64 115.26 109.88 1p6t n ASN 97 Ca 0.12 1.25 -0.04 0.00 0.87 0.00 0.00 54.58 56.77 1p6t n ASN 97 Cb 0.69 -0.47 0.02 0.00 -1.02 0.00 0.00 39.78 39.00 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1p6t n LYS 98 N -4.98 0.53 0.05 3.52 2.85 -0.29 -4.28 118.16 115.55 1p6t n LYS 98 Ca 0.18 -1.86 -0.02 0.00 -1.05 0.00 0.00 58.31 55.56 1p6t n LYS 98 Cb 0.60 -1.30 -0.01 0.00 -0.65 0.00 0.00 35.03 33.67 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 4.43 0.00 0.00 0.58 1.08 -1.53 -3.48 117.51 118.59 1p6t h ILE 99 Ca 0.02 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1p6t h ILE 99 Cb 1.11 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1p6t h ILE 99 CO 0.04 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.88 1p6t n GLU 100 N -2.48 0.00 -1.18 2.37 1.02 -1.26 -4.98 120.64 114.13 1p6t n GLU 100 Ca -0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.88 1p6t n GLU 100 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.37 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 101 N 0.90 3.63 3.20 0.62 0.00 -1.25 -4.50 105.19 107.79 1p6t n GLY 101 Ca 0.00 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 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 1.16 2.74 -0.01 1.61 1.01 -1.26 -0.67 120.40 124.98 1p6t s VAL 102 Ca 0.67 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1p6t s VAL 102 Cb 0.27 -2.29 -0.22 0.00 0.00 0.00 0.00 36.38 34.14 1p6t s VAL 102 CO -0.04 0.36 1.11 0.00 0.00 0.00 0.00 175.10 176.54 1p6t h ALA 103 N 8.01 0.09 -2.80 5.51 0.00 -0.67 -3.42 119.26 125.99 1p6t h ALA 103 Ca -0.39 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 53.97 1p6t h ALA 103 Cb 1.13 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1p6t h ALA 103 CO 0.60 0.23 -0.11 -0.80 0.00 0.00 0.00 179.25 179.16 1p6t s ASN 104 N -6.51 -0.12 -0.47 0.00 0.01 -0.85 -4.69 114.94 102.32 1p6t s ASN 104 Ca -0.14 -0.75 0.06 0.00 -0.71 0.00 0.00 52.86 51.33 1p6t s ASN 104 Cb 0.03 0.55 0.25 0.00 0.41 0.00 0.00 41.25 42.48 1p6t s ASN 104 CO 0.78 -1.05 0.82 0.00 -1.51 0.00 0.00 177.10 176.14 1p6t n ALA 105 N -0.32 -0.53 -2.23 0.60 0.00 -1.26 -0.47 120.51 116.30 1p6t n ALA 105 Ca -0.06 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.10 1p6t n ALA 105 Cb 0.62 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 0.24 4.38 -0.04 0.00 0.04 -1.12 -4.60 135.00 133.90 1p6t s PRO 106 Ca 0.32 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 63.16 1p6t s PRO 106 Cb 0.22 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1p6t s PRO 106 CO -0.21 -0.32 0.39 0.14 0.04 0.00 0.00 177.00 177.04 1p6t s VAL 107 N 0.87 5.11 0.71 -0.36 -7.23 -1.26 -1.17 120.40 117.07 1p6t s VAL 107 Ca 0.61 0.78 -0.06 0.00 -1.81 0.00 0.00 61.98 61.50 1p6t s VAL 107 Cb -0.34 -3.70 0.08 0.00 0.56 0.00 0.00 36.38 32.98 1p6t s VAL 107 CO 0.31 0.53 1.02 0.20 -0.31 0.00 0.00 175.10 176.85 1p6t s ASN 108 N -0.68 4.67 0.00 4.85 -0.87 0.35 -4.99 114.94 118.28 1p6t s ASN 108 Ca 0.23 0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.84 1p6t s ASN 108 Cb -0.16 -0.92 0.00 0.00 -0.02 0.00 0.00 41.25 40.15 1p6t s ASN 108 CO 0.11 -1.68 0.61 0.33 -2.57 0.00 0.00 177.10 173.91 1p6t n PHE 109 N -2.93 0.00 -0.09 2.20 -0.00 -1.26 -4.44 117.46 110.93 1p6t n PHE 109 Ca 0.09 -0.14 -0.19 0.00 -0.00 0.00 0.00 57.45 57.22 1p6t n PHE 109 Cb 0.60 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.48 40.01 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 -0.14 1.74 0.76 3.13 0.00 -1.26 -4.61 120.51 120.13 1p6t n ALA 110 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.83 1p6t n ALA 110 Cb 0.41 0.24 0.29 0.00 0.00 0.00 0.00 19.45 20.39 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 -3.89 0.56 -3.04 0.00 4.77 -1.26 -4.96 117.00 109.19 1p6t n LEU 111 Ca -0.34 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 55.72 1p6t n LEU 111 Cb 0.72 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1p6t n LEU 111 CO 0.03 -0.02 0.16 -0.62 -1.33 0.00 0.00 177.39 175.62 1p6t n GLU 112 N -1.88 -6.14 -4.48 3.23 1.02 -1.26 -4.91 120.64 106.22 1p6t n GLU 112 Ca 0.05 0.69 -0.24 0.00 -0.02 0.00 0.00 57.16 57.64 1p6t n GLU 112 Cb 0.40 -5.29 -0.10 0.00 -0.02 0.00 0.00 31.44 26.42 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1p6t s THR 113 N -3.28 2.05 -0.04 2.62 -4.23 -1.26 -0.83 115.64 110.67 1p6t s THR 113 Ca 0.29 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1p6t s THR 113 Cb -0.13 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1p6t s THR 113 CO 0.60 -0.29 -0.11 0.54 -0.54 0.00 0.00 174.62 174.83 1p6t s VAL 114 N -2.75 0.98 0.12 2.29 0.11 0.52 -0.49 120.40 121.17 1p6t s VAL 114 Ca 0.31 -0.44 -0.28 0.00 -2.93 0.00 0.00 61.98 58.64 1p6t s VAL 114 Cb 0.02 -0.88 -0.06 0.00 -1.53 0.00 0.00 36.38 33.93 1p6t s VAL 114 CO 0.14 0.30 0.87 -0.89 -3.33 0.00 0.00 175.10 172.19 1p6t s THR 115 N 0.36 4.49 -0.17 5.04 2.01 -0.32 -0.31 115.64 126.74 1p6t s THR 115 Ca -0.07 1.88 -0.03 0.00 0.31 0.00 0.00 61.69 63.78 1p6t s THR 115 Cb -0.12 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 1p6t s THR 115 CO 0.02 0.39 -0.05 0.54 -0.69 0.00 0.00 174.62 174.82 1p6t s VAL 116 N -0.36 3.57 -0.46 3.82 0.11 0.49 -2.80 120.40 124.77 1p6t s VAL 116 Ca 0.42 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1p6t s VAL 116 Cb -0.23 -2.58 0.12 0.00 -1.53 0.00 0.00 36.38 32.17 1p6t s VAL 116 CO 0.27 0.47 0.26 -0.70 -3.33 0.00 0.00 175.10 172.08 1p6t s GLU 117 N 0.76 2.16 0.24 1.54 -6.30 0.38 -0.51 118.70 116.96 1p6t s GLU 117 Ca -0.02 -1.95 -0.11 0.00 -2.50 0.00 0.00 54.97 50.39 1p6t s GLU 117 Cb -0.15 -3.65 -0.01 0.00 0.00 0.00 0.00 34.13 30.33 1p6t s GLU 117 CO 0.02 -1.11 0.41 1.52 0.02 0.00 0.00 175.26 176.13 1p6t s TYR 118 N 0.93 0.48 -0.54 5.30 1.13 -0.25 0.02 117.35 124.42 1p6t s TYR 118 Ca 0.10 -0.82 -0.19 0.00 -1.41 0.00 0.00 57.07 54.75 1p6t s TYR 118 Cb -0.23 0.06 0.08 0.00 -1.10 0.00 0.00 41.96 40.78 1p6t s TYR 118 CO -0.04 -0.92 0.63 1.21 -2.51 0.00 0.00 175.55 173.92 1p6t s ASN 119 N -3.04 6.20 0.00 -0.18 3.84 0.15 -0.50 114.94 121.41 1p6t s ASN 119 Ca 0.25 -1.22 0.12 0.00 0.21 0.00 0.00 52.86 52.21 1p6t s ASN 119 Cb 0.01 -2.28 0.69 0.00 -0.55 0.00 0.00 41.25 39.11 1p6t s ASN 119 CO 0.09 -0.97 1.21 -0.81 -2.79 0.00 0.00 177.10 173.83 1p6t n PRO 120 N 6.11 0.68 -0.01 0.43 -0.04 -1.26 -1.16 135.00 139.74 1p6t n PRO 120 Ca -0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 1p6t n PRO 120 Cb 0.44 -1.27 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.77 0.69 -0.01 0.54 -0.00 -1.26 -4.48 118.16 112.86 1p6t n LYS 121 Ca 0.09 0.28 -0.13 0.00 -0.00 0.00 0.00 58.31 58.54 1p6t n LYS 121 Cb 0.04 -1.75 -0.14 0.00 -0.00 0.00 0.00 35.03 33.18 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 -3.23 0.68 -3.21 -1.58 4.07 -0.31 -4.97 120.64 112.09 1p6t n GLU 122 Ca -0.24 0.28 -0.11 0.00 -0.06 0.00 0.00 57.16 57.03 1p6t n GLU 122 Cb 1.05 -1.75 -0.04 0.00 -0.06 0.00 0.00 31.44 30.64 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 -2.73 0.35 -3.75 4.31 0.00 -0.79 -4.89 120.51 113.01 1p6t n ALA 123 Ca -0.23 -1.05 -0.07 0.00 0.00 0.00 0.00 53.44 52.08 1p6t n ALA 123 Cb 1.05 0.80 -0.02 0.00 0.00 0.00 0.00 19.45 21.28 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p6t s SER 124 N -2.27 -0.25 0.35 0.00 0.01 -1.26 -4.22 113.70 106.06 1p6t s SER 124 Ca 0.18 -0.62 0.13 0.00 1.31 0.00 0.00 55.95 56.94 1p6t s SER 124 Cb 0.01 0.70 0.98 0.00 0.21 0.00 0.00 66.02 67.93 1p6t s SER 124 CO 0.12 -1.30 1.74 -0.37 0.41 0.00 0.00 173.24 173.84 1p6t h VAL 125 N 2.03 0.51 -0.99 3.43 -1.51 -2.00 0.25 116.25 117.97 1p6t h VAL 125 Ca -0.21 -0.17 0.12 0.00 -1.23 0.00 0.00 66.70 65.22 1p6t h VAL 125 Cb 1.25 -0.03 -0.09 0.00 -2.13 0.00 0.00 31.29 30.30 1p6t h VAL 125 CO 0.25 0.09 0.62 0.28 -1.23 0.00 0.00 177.57 177.58 1p6t h SER 126 N 0.49 0.90 -0.42 4.19 0.02 -1.98 0.52 113.55 117.28 1p6t h SER 126 Ca 0.64 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 1p6t h SER 126 Cb 1.38 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1p6t h SER 126 CO -0.42 0.47 0.26 -0.78 -1.14 0.00 0.00 176.83 175.22 1p6t h ASP 127 N 0.97 0.49 -0.26 3.07 3.58 -0.90 -0.09 116.42 123.28 1p6t h ASP 127 Ca 0.50 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.91 1p6t h ASP 127 Cb 0.51 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1p6t h ASP 127 CO -0.27 0.38 0.14 -0.07 -2.88 0.00 0.00 179.24 176.54 1p6t h LEU 128 N 0.56 0.32 -0.92 2.28 3.38 -1.16 0.31 115.31 120.08 1p6t h LEU 128 Ca 0.15 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1p6t h LEU 128 Cb -0.03 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1p6t h LEU 128 CO -0.03 0.31 0.60 0.11 0.09 0.00 0.00 178.44 179.52 1p6t h LYS 129 N 0.31 1.11 -0.10 1.13 1.57 -0.55 0.07 116.57 120.11 1p6t h LYS 129 Ca 0.09 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1p6t h LYS 129 Cb 0.06 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1p6t h LYS 129 CO -0.02 0.74 -0.01 1.49 -0.57 0.00 0.00 179.45 181.08 1p6t h GLU 130 N 1.15 0.19 -0.33 3.15 4.22 -0.62 -2.49 114.58 119.84 1p6t h GLU 130 Ca 0.37 -0.06 0.07 0.00 0.08 0.00 0.00 59.36 59.81 1p6t h GLU 130 Cb 0.03 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1p6t h GLU 130 CO -0.13 0.46 -0.08 0.00 -2.18 0.00 0.00 179.01 177.09 1p6t h ALA 131 N 0.72 0.22 -0.03 2.92 0.00 0.16 0.74 119.26 123.99 1p6t h ALA 131 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1p6t h ALA 131 Cb 0.38 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1p6t h ALA 131 CO 0.01 -0.46 -0.41 -0.24 0.00 0.00 0.00 179.25 178.15 1p6t h VAL 132 N 0.00 1.30 -0.87 0.00 3.04 -1.06 -2.48 116.25 116.18 1p6t h VAL 132 Ca 0.16 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.42 1p6t h VAL 132 Cb 0.24 1.73 -0.04 0.00 -2.01 0.00 0.00 31.29 31.21 1p6t h VAL 132 CO -0.34 0.41 0.56 -0.78 -1.01 0.00 0.00 177.57 176.42 1p6t h ASP 133 N 0.05 1.02 0.11 3.17 1.82 -0.43 0.11 116.42 122.27 1p6t h ASP 133 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1p6t h ASP 133 Cb 0.74 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1p6t h ASP 133 CO 0.06 0.75 0.00 1.17 -1.61 0.00 0.00 179.24 179.60 1p6t n LYS 134 N -4.39 0.05 -0.06 0.28 4.81 -0.45 0.21 118.16 118.60 1p6t n LYS 134 Ca 0.10 0.30 -0.02 0.00 -0.87 0.00 0.00 58.31 57.82 1p6t n LYS 134 Cb 0.03 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.43 1p6t n LYS 134 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1p6t n LEU 135 N -1.36 0.07 -0.38 3.14 7.99 0.28 -5.03 117.00 121.71 1p6t n LEU 135 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1p6t n LEU 135 Cb 0.04 0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1p6t n LEU 135 CO 0.04 0.29 0.00 0.61 -1.51 0.00 0.00 177.39 176.82 1p6t n GLY 136 N 1.55 0.93 0.00 -0.72 0.00 0.13 -5.10 105.19 101.98 1p6t n GLY 136 Ca -0.21 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1p6t n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p6t n TYR 137 N -1.70 0.00 -3.91 1.61 4.01 -1.17 -5.04 117.16 110.96 1p6t n TYR 137 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1p6t n TYR 137 Cb 0.36 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.22 1p6t n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1p6t s LYS 138 N -1.81 0.85 -0.14 -0.72 -2.85 -1.26 -4.49 119.74 109.32 1p6t s LYS 138 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 54.94 1p6t s LYS 138 Cb 0.00 -1.06 -0.01 0.00 -2.06 0.00 0.00 37.83 34.70 1p6t s LYS 138 CO 0.00 -0.23 -0.13 -1.17 0.10 0.00 0.00 175.35 173.92 1p6t s LEU 139 N 1.63 2.66 0.44 2.77 2.96 -1.26 -1.26 118.68 126.62 1p6t s LEU 139 Ca 0.01 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1p6t s LEU 139 Cb -0.13 -1.61 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 1p6t s LEU 139 CO -0.04 0.13 0.04 -0.54 -1.32 0.00 0.00 176.35 174.61 1p6t s LYS 140 N 0.57 2.06 0.22 1.98 1.02 0.76 -4.86 119.74 121.49 1p6t s LYS 140 Ca -0.08 -2.16 -0.01 0.00 0.02 0.00 0.00 55.97 53.75 1p6t s LYS 140 Cb -0.16 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 1p6t s LYS 140 CO 0.03 -0.15 0.41 -0.51 -0.92 0.00 0.00 175.35 174.22 1p6t s LEU 141 N -3.79 4.20 -0.71 3.17 1.02 -1.26 -0.17 118.68 121.15 1p6t s LEU 141 Ca 0.28 0.41 -0.27 0.00 0.02 0.00 0.00 54.13 54.57 1p6t s LEU 141 Cb 0.07 -3.19 0.01 0.00 0.02 0.00 0.00 46.19 43.10 1p6t s LEU 141 CO 0.15 -0.08 1.50 -0.54 0.02 0.00 0.00 176.35 177.39 1p6t s LYS 142 N -3.47 2.99 0.00 1.70 1.02 -0.39 -4.26 119.74 117.33 1p6t s LYS 142 Ca 0.39 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1p6t s LYS 142 Cb -0.11 -4.30 0.00 0.00 -0.52 0.00 0.00 37.83 32.91 1p6t s LYS 142 CO 0.30 -2.37 0.00 0.41 -0.92 0.00 0.00 175.35 172.76 1p6t n GLY 143 N 5.55 1.83 2.41 -3.33 0.00 -1.26 -4.80 105.19 105.59 1p6t n GLY 143 Ca 0.10 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1p6t n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p6t n GLU 144 N 0.00 2.36 0.01 1.61 2.13 -1.26 -0.93 120.64 124.55 1p6t n GLU 144 Ca 0.00 -1.47 0.00 0.00 0.66 0.00 0.00 57.16 56.35 1p6t n GLU 144 Cb 0.00 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1p6t n GLN 145 N 3.64 0.00 -0.30 5.31 1.13 -1.26 -4.57 117.38 121.33 1p6t n GLN 145 Ca 0.50 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.55 1p6t n GLN 145 Cb 0.29 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.65 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1p6t n ASP 146 N -2.61 4.27 -2.03 1.08 9.92 -0.80 -4.76 116.55 121.62 1p6t n ASP 146 Ca 0.00 -2.27 -0.16 0.00 -0.53 0.00 0.00 54.79 51.83 1p6t n ASP 146 Cb 0.00 -0.83 -0.03 0.00 -0.64 0.00 0.00 41.12 39.62 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1p6t n SER 147 N 0.94 -4.47 -4.09 -2.24 2.88 -1.15 -4.88 113.62 100.60 1p6t n SER 147 Ca 0.02 0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 57.36 1p6t n SER 147 Cb 0.53 -3.88 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1p6t n ILE 148 N -2.99 3.87 -3.88 2.46 2.08 -0.11 -4.81 119.36 115.98 1p6t n ILE 148 Ca -0.17 -3.81 -0.10 0.00 0.56 0.00 0.00 62.75 59.23 1p6t n ILE 148 Cb 0.59 -2.47 -0.09 0.00 -0.75 0.00 0.00 39.64 36.92 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1p6t s GLU 149 N 2.74 0.64 0.00 0.38 -6.30 -1.26 -4.58 118.70 110.31 1p6t s GLU 149 Ca 0.47 -0.66 0.00 0.00 -2.50 0.00 0.00 54.97 52.28 1p6t s GLU 149 Cb 0.08 0.26 0.00 0.00 0.00 0.00 0.00 34.13 34.47 1p6t s GLU 149 CO -0.01 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1p6t n GLY 150 N 0.76 -1.48 0.47 -1.50 0.00 -1.26 -5.21 105.19 96.97 1p6t n GLY 150 Ca -0.19 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 44.92 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19