#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 0.00 -2.06 4.03 4.77 -1.26 -4.66 117.00 117.82 1p6t n LEU 2 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1p6t n LEU 2 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1p6t n LEU 2 CO 0.00 0.00 1.19 -1.20 -1.33 0.00 0.00 177.39 176.05 1p6t n SER 3 N 2.10 3.72 -4.07 -1.43 7.64 -1.26 -4.72 113.62 115.60 1p6t n SER 3 Ca 0.00 -2.16 -0.43 0.00 1.01 0.00 0.00 58.87 57.29 1p6t n SER 3 Cb 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6t n GLU 4 N 2.47 3.69 -1.69 1.43 1.02 -1.26 -4.99 120.64 121.30 1p6t n GLU 4 Ca 0.25 -3.83 -0.44 0.00 -0.02 0.00 0.00 57.16 53.12 1p6t n GLU 4 Cb 0.60 -2.87 -0.04 0.00 -0.02 0.00 0.00 31.44 29.12 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1p6t n GLN 5 N 3.85 2.48 -4.48 3.49 1.13 -1.26 -4.54 117.38 118.04 1p6t n GLN 5 Ca 0.36 0.89 -0.26 0.00 -1.94 0.00 0.00 57.00 56.05 1p6t n GLN 5 Cb 0.38 -2.71 -0.13 0.00 0.11 0.00 0.00 30.24 27.89 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 1.10 1.35 0.48 -1.09 -2.85 -0.92 -4.94 119.74 112.87 1p6t s LYS 6 Ca 0.77 -1.15 -0.14 0.00 -1.00 0.00 0.00 55.97 54.46 1p6t s LYS 6 Cb -0.59 -1.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.49 1p6t s LYS 6 CO 0.35 0.39 0.91 -1.83 0.10 0.00 0.00 175.35 175.27 1p6t s GLU 7 N -1.67 3.86 -0.03 1.78 1.03 -1.26 -1.57 118.70 120.84 1p6t s GLU 7 Ca 0.09 0.75 0.00 0.00 0.03 0.00 0.00 54.97 55.85 1p6t s GLU 7 Cb -0.10 -2.23 0.03 0.00 -0.80 0.00 0.00 34.13 31.03 1p6t s GLU 7 CO 0.04 -0.20 0.00 -1.50 -1.33 0.00 0.00 175.26 172.27 1p6t s ILE 8 N -2.57 0.14 -0.15 1.83 2.07 0.38 -4.90 121.20 118.01 1p6t s ILE 8 Ca 0.56 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.91 1p6t s ILE 8 Cb -0.10 -0.24 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1p6t s ILE 8 CO 0.33 0.13 -0.19 0.00 -1.91 0.00 0.00 174.94 173.30 1p6t s ALA 9 N 0.97 2.35 0.05 1.50 0.00 0.09 -0.90 121.76 125.82 1p6t s ALA 9 Ca -0.09 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1p6t s ALA 9 Cb -0.13 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1p6t s ALA 9 CO -0.02 -0.05 0.24 -1.64 0.00 0.00 0.00 175.76 174.30 1p6t s MET 10 N 0.85 0.76 -0.18 0.00 -1.94 0.26 -3.45 119.30 115.59 1p6t s MET 10 Ca -0.06 -0.61 -0.25 0.00 -1.71 0.00 0.00 55.69 53.07 1p6t s MET 10 Cb -0.15 0.32 -0.02 0.00 2.01 0.00 0.00 34.83 36.99 1p6t s MET 10 CO -0.02 -0.23 0.81 -1.14 -0.01 0.00 0.00 175.02 174.43 1p6t s GLN 11 N -2.69 4.28 -0.04 2.03 0.74 -1.26 -0.36 119.66 122.37 1p6t s GLN 11 Ca -0.04 0.97 0.06 0.00 0.05 0.00 0.00 55.36 56.40 1p6t s GLN 11 Cb -0.00 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1p6t s GLN 11 CO -0.04 -0.33 -0.23 0.54 -0.55 0.00 0.00 175.29 174.68 1p6t s VAL 12 N 2.15 2.31 0.32 1.34 0.11 -1.25 -0.94 120.40 124.44 1p6t s VAL 12 Ca 0.37 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.49 1p6t s VAL 12 Cb -0.16 -1.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.82 1p6t s VAL 12 CO 0.12 0.58 0.37 -0.44 -3.33 0.00 0.00 175.10 172.39 1p6t s SER 13 N -0.46 5.71 0.00 3.54 0.01 0.41 -4.49 113.70 118.42 1p6t s SER 13 Ca 0.05 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1p6t s SER 13 Cb -0.11 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1p6t s SER 13 CO 0.01 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1p6t n GLY 14 N -1.48 0.82 3.57 3.44 0.00 -1.26 -3.00 105.19 107.28 1p6t n GLY 14 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1p6t n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p6t s MET 15 N -0.65 2.91 0.18 1.61 1.00 -1.26 -4.81 119.30 118.28 1p6t s MET 15 Ca 0.00 1.10 0.19 0.00 0.00 0.00 0.00 55.69 56.97 1p6t s MET 15 Cb 0.00 -4.32 0.83 0.00 0.00 0.00 0.00 34.83 31.34 1p6t s MET 15 CO 0.00 -2.37 1.57 2.41 0.00 0.00 0.00 175.02 176.63 1p6t n THR 16 N 7.40 1.02 -2.21 2.05 -1.04 -1.26 -4.90 114.28 115.33 1p6t n THR 16 Ca 0.23 0.35 -0.04 0.00 -2.04 0.00 0.00 64.05 62.55 1p6t n THR 16 Cb 0.50 -1.25 0.02 0.00 -1.82 0.00 0.00 70.33 67.77 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 -1.81 0.00 -0.12 0.00 0.00 -1.26 -4.97 120.51 112.35 1p6t n ALA 18 Ca -0.05 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.60 1p6t n ALA 18 Cb 0.54 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.62 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 2.00 2.48 0.63 0.00 0.00 -1.98 -2.15 119.26 120.23 1p6t h ALA 19 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p6t h ALA 19 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1p6t h ALA 19 CO 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 179.25 178.26 1p6t h ALA 21 N -0.92 -0.24 -0.95 0.00 0.00 -1.87 -1.63 119.26 113.65 1p6t h ALA 21 Ca -0.09 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 21 Cb 0.69 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1p6t h ALA 21 CO 0.14 -0.70 0.61 0.00 0.00 0.00 0.00 179.25 179.30 1p6t h ALA 22 N 0.60 1.51 -0.61 0.00 0.00 -1.33 -0.65 119.26 118.79 1p6t h ALA 22 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 22 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1p6t h ALA 22 CO -0.26 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.59 1p6t h ARG 23 N 1.03 0.87 0.90 0.00 2.47 0.36 0.13 114.38 120.15 1p6t h ARG 23 Ca 0.43 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.98 1p6t h ARG 23 Cb 0.30 -0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1p6t h ARG 23 CO -0.19 0.70 -0.43 0.82 0.56 0.00 0.00 179.97 181.43 1p6t h ILE 24 N 0.83 0.00 -0.87 2.04 2.04 -0.31 0.11 117.51 121.36 1p6t h ILE 24 Ca 0.21 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.11 1p6t h ILE 24 Cb 0.11 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.13 1p6t h ILE 24 CO -0.03 0.00 0.55 -0.33 0.00 0.00 0.00 178.15 178.34 1p6t h GLU 25 N -1.23 0.98 -0.32 2.37 4.39 -1.00 0.29 114.58 120.06 1p6t h GLU 25 Ca -0.12 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1p6t h GLU 25 Cb 0.93 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1p6t h GLU 25 CO 0.20 0.65 0.16 -0.22 -1.16 0.00 0.00 179.01 178.64 1p6t h LYS 26 N 1.01 0.46 -0.72 2.33 3.64 -0.75 0.10 116.57 122.64 1p6t h LYS 26 Ca 0.37 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1p6t h LYS 26 Cb 0.13 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 1p6t h LYS 26 CO -0.16 0.43 0.44 0.78 -2.27 0.00 0.00 179.45 178.66 1p6t h GLY 27 N 0.38 1.06 1.19 5.01 0.00 0.12 -2.49 103.07 108.35 1p6t h GLY 27 Ca 0.11 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 1p6t h GLY 27 CO -0.01 0.23 -0.31 1.41 0.00 0.00 0.00 176.54 177.86 1p6t h LEU 28 N 0.82 0.95 -1.91 3.11 -0.00 -0.27 -2.35 115.31 115.66 1p6t h LEU 28 Ca 0.31 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1p6t h LEU 28 Cb 0.12 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1p6t h LEU 28 CO -0.15 1.18 0.22 0.11 -0.00 0.00 0.00 178.44 179.79 1p6t h LYS 29 N 0.76 0.00 0.00 1.13 6.56 -0.35 0.45 116.57 125.12 1p6t h LYS 29 Ca 0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1p6t h LYS 29 Cb 0.88 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.54 1p6t h LYS 29 CO 0.08 0.00 -0.00 -0.09 -2.06 0.00 0.00 179.45 177.38 1p6t h ARG 30 N 0.00 0.00 -6.95 3.15 9.65 -1.18 -3.44 114.38 115.61 1p6t h ARG 30 Ca 0.00 0.00 -0.46 0.00 -1.10 0.00 0.00 59.98 58.42 1p6t h ARG 30 Cb 0.43 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1p6t h ARG 30 CO 0.00 0.00 0.32 -1.64 2.80 0.00 0.00 179.97 181.46 1p6t s MET 31 N -5.03 4.38 0.05 0.20 -1.94 0.15 -5.01 119.30 112.10 1p6t s MET 31 Ca -0.05 1.18 -0.18 0.00 -1.71 0.00 0.00 55.69 54.93 1p6t s MET 31 Cb 0.17 -2.49 -0.15 0.00 2.01 0.00 0.00 34.83 34.37 1p6t s MET 31 CO 0.66 0.13 1.29 -1.00 -0.01 0.00 0.00 175.02 176.10 1p6t h PRO 32 N 2.54 0.52 -0.08 2.03 0.13 -1.87 -3.24 132.00 132.04 1p6t h PRO 32 Ca -0.48 -0.36 -0.06 0.00 -0.87 0.00 0.00 66.00 64.24 1p6t h PRO 32 Cb 1.19 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1p6t h PRO 32 CO 0.63 0.97 -0.22 0.78 -0.23 0.00 0.00 178.00 179.93 1p6t h GLY 33 N 0.16 0.15 -7.38 1.56 0.00 -1.90 -3.41 103.07 92.25 1p6t h GLY 33 Ca -0.00 -0.10 -0.50 0.00 0.00 0.00 0.00 47.33 46.73 1p6t h GLY 33 CO 0.08 0.09 1.63 -0.62 0.00 0.00 0.00 176.54 177.72 1p6t n VAL 34 N -4.23 -0.01 -0.03 4.60 0.31 -1.22 -1.08 118.33 116.67 1p6t n VAL 34 Ca -0.01 -0.57 -0.18 0.00 -0.01 0.00 0.00 64.34 63.57 1p6t n VAL 34 Cb 0.31 -2.22 -0.13 0.00 -0.91 0.00 0.00 33.84 30.88 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 7.67 1.46 -3.51 2.52 2.02 -1.00 -3.47 112.91 118.60 1p6t h THR 35 Ca -0.22 -2.39 -0.09 0.00 0.77 0.00 0.00 66.41 64.48 1p6t h THR 35 Cb 1.28 3.06 -0.16 0.00 -1.74 0.00 0.00 68.15 70.59 1p6t h THR 35 CO 1.18 0.61 -0.29 -0.62 0.37 0.00 0.00 175.52 176.77 1p6t s ASP 36 N -6.66 -0.03 -0.11 4.18 2.15 -0.68 -5.04 116.67 110.49 1p6t s ASP 36 Ca -0.19 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.40 1p6t s ASP 36 Cb 0.01 0.35 0.04 0.00 -0.30 0.00 0.00 42.92 43.01 1p6t s ASP 36 CO 0.73 -0.66 0.02 0.00 -0.17 0.00 0.00 175.17 175.09 1p6t s ALA 37 N -3.05 0.70 0.21 3.66 0.00 -1.26 -0.14 121.76 121.88 1p6t s ALA 37 Ca -0.01 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1p6t s ALA 37 Cb 0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1p6t s ALA 37 CO -0.06 -0.70 -0.04 -0.80 0.00 0.00 0.00 175.76 174.16 1p6t s ASN 38 N 1.98 1.97 -0.21 0.00 0.02 -0.50 -4.89 114.94 113.31 1p6t s ASN 38 Ca 0.03 -1.15 -0.05 0.00 -1.02 0.00 0.00 52.86 50.67 1p6t s ASN 38 Cb -0.14 -0.02 0.11 0.00 0.02 0.00 0.00 41.25 41.22 1p6t s ASN 38 CO -0.06 -0.43 0.40 0.54 0.02 0.00 0.00 177.10 177.58 1p6t s VAL 39 N -3.32 -0.63 -1.03 1.60 0.11 -1.26 -0.46 120.40 115.40 1p6t s VAL 39 Ca 0.25 0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 59.18 1p6t s VAL 39 Cb 0.04 -0.72 0.08 0.00 -1.53 0.00 0.00 36.38 34.25 1p6t s VAL 39 CO 0.07 0.01 1.39 0.21 -3.33 0.00 0.00 175.10 173.44 1p6t s ASN 40 N 2.59 6.58 0.00 3.54 3.84 0.14 -4.80 114.94 126.83 1p6t s ASN 40 Ca 0.04 -1.73 0.20 0.00 0.21 0.00 0.00 52.86 51.58 1p6t s ASN 40 Cb -0.13 -2.52 1.11 0.00 -0.55 0.00 0.00 41.25 39.15 1p6t s ASN 40 CO -0.14 -1.34 1.62 0.00 -2.79 0.00 0.00 177.10 174.45 1p6t n LEU 41 N 8.14 0.00 0.10 3.21 -0.00 -1.26 0.54 117.00 127.73 1p6t n LEU 41 Ca 0.32 0.16 -0.19 0.00 -0.00 0.00 0.00 56.01 56.30 1p6t n LEU 41 Cb 0.50 -0.16 -0.15 0.00 -0.00 0.00 0.00 43.42 43.62 1p6t n LEU 41 CO 0.63 -0.05 -0.22 0.00 -0.00 0.00 0.00 177.39 177.74 1p6t h ALA 42 N 3.10 0.09 -0.00 1.47 0.00 -1.97 -3.38 119.26 118.57 1p6t h ALA 42 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1p6t h ALA 42 Cb 0.10 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p6t h ALA 42 CO 0.00 0.96 -0.57 0.25 0.00 0.00 0.00 179.25 179.90 1p6t n THR 43 N -3.56 0.00 -2.91 0.00 -2.24 -0.95 -5.03 114.28 99.60 1p6t n THR 43 Ca -0.14 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1p6t n THR 43 Cb 1.05 1.05 0.04 0.00 -2.10 0.00 0.00 70.33 70.38 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 -1.01 -3.75 -4.02 -0.78 1.02 0.19 -5.05 120.64 107.24 1p6t n GLU 44 Ca 0.04 0.42 -0.31 0.00 -0.02 0.00 0.00 57.16 57.29 1p6t n GLU 44 Cb 0.25 -4.21 -0.15 0.00 -0.02 0.00 0.00 31.44 27.30 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 -3.17 1.89 -0.05 2.62 2.01 -0.73 -3.77 115.64 114.44 1p6t s THR 45 Ca 0.17 -1.35 -0.28 0.00 0.31 0.00 0.00 61.69 60.53 1p6t s THR 45 Cb -0.07 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1p6t s THR 45 CO 0.37 0.03 0.91 0.54 -0.69 0.00 0.00 174.62 175.79 1p6t s VAL 46 N 1.25 4.89 -0.27 3.82 0.11 0.52 -0.69 120.40 130.03 1p6t s VAL 46 Ca -0.06 1.89 -0.02 0.00 -2.93 0.00 0.00 61.98 60.86 1p6t s VAL 46 Cb -0.18 -4.24 0.09 0.00 -1.53 0.00 0.00 36.38 30.51 1p6t s VAL 46 CO -0.07 0.14 0.08 0.54 -3.33 0.00 0.00 175.10 172.47 1p6t s ASN 47 N 0.99 3.62 -0.14 3.54 2.20 0.39 -0.58 114.94 124.97 1p6t s ASN 47 Ca 0.47 -1.33 -0.03 0.00 -0.94 0.00 0.00 52.86 51.03 1p6t s ASN 47 Cb -0.19 -0.71 -0.03 0.00 -2.00 0.00 0.00 41.25 38.32 1p6t s ASN 47 CO 0.23 -0.38 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.27 1p6t s VAL 48 N 1.76 3.87 -0.19 3.54 1.01 -0.08 -1.41 120.40 128.91 1p6t s VAL 48 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1p6t s VAL 48 Cb -0.17 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1p6t s VAL 48 CO -0.22 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 174.69 1p6t s ILE 49 N 0.08 3.17 0.26 2.22 1.01 0.80 -0.47 121.20 128.28 1p6t s ILE 49 Ca -0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1p6t s ILE 49 Cb -0.14 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 1p6t s ILE 49 CO 0.03 0.46 0.49 -0.72 0.00 0.00 0.00 174.94 175.20 1p6t s TYR 50 N 1.16 0.45 -0.23 3.97 -0.85 -0.61 -0.47 117.35 120.76 1p6t s TYR 50 Ca 0.02 -0.80 -0.26 0.00 -0.52 0.00 0.00 57.07 55.50 1p6t s TYR 50 Cb -0.14 0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.37 1p6t s TYR 50 CO -0.02 -1.03 0.88 0.34 -1.52 0.00 0.00 175.55 174.20 1p6t s ASP 51 N -3.05 6.91 0.00 -0.18 -1.08 -0.24 -2.16 116.67 116.86 1p6t s ASP 51 Ca 0.23 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.40 1p6t s ASP 51 Cb -0.01 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1p6t s ASP 51 CO 0.11 -0.55 1.18 -0.81 0.52 0.00 0.00 175.17 175.62 1p6t n PRO 52 N 6.04 0.88 0.00 4.34 -0.04 -1.26 -3.02 135.00 141.94 1p6t n PRO 52 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1p6t n PRO 52 Cb 0.47 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.90 0.87 -0.02 0.55 0.00 -1.26 -4.91 120.51 116.64 1p6t n ALA 53 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1p6t n ALA 53 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 0.09 0.00 0.00 1.02 -1.17 -5.04 120.64 115.54 1p6t n GLU 54 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1p6t n GLU 54 Cb 0.47 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 -2.90 0.00 0.00 2.62 -1.04 -1.24 -4.90 114.28 106.81 1p6t n THR 55 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1p6t n THR 55 Cb 0.56 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 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 4.00 3.58 0.19 3.41 0.00 -1.26 -4.69 105.19 110.42 1p6t n GLY 56 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 0.46 -0.23 -0.33 2.61 5.66 -1.26 0.11 114.28 121.30 1p6t n THR 57 Ca 0.00 1.23 -0.03 0.00 -3.05 0.00 0.00 64.05 62.20 1p6t n THR 57 Cb 0.00 -1.72 0.09 0.00 -1.55 0.00 0.00 70.33 67.15 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 1.08 1.15 -0.29 1.79 0.00 -1.90 -0.10 119.26 120.99 1p6t h ALA 58 Ca 0.27 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 58 Cb 0.45 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1p6t h ALA 58 CO -0.55 0.54 -0.23 0.00 0.00 0.00 0.00 179.25 179.01 1p6t h ALA 59 N 1.33 1.07 0.44 0.00 0.00 -0.60 0.17 119.26 121.67 1p6t h ALA 59 Ca 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1p6t h ALA 59 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1p6t h ALA 59 CO -0.08 0.57 -0.21 0.82 0.00 0.00 0.00 179.25 180.35 1p6t h ILE 60 N 0.48 0.57 -0.82 0.00 1.08 -0.72 0.13 117.51 118.23 1p6t h ILE 60 Ca 0.07 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1p6t h ILE 60 Cb 0.66 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1p6t h ILE 60 CO 0.05 0.02 0.44 0.06 -0.69 0.00 0.00 178.15 178.03 1p6t h GLN 61 N -0.65 1.14 -0.65 2.37 3.07 -0.98 -1.38 115.11 118.03 1p6t h GLN 61 Ca -0.06 -0.13 0.06 0.00 0.09 0.00 0.00 58.65 58.61 1p6t h GLN 61 Cb 0.49 -0.22 -0.06 0.00 0.08 0.00 0.00 27.48 27.77 1p6t h GLN 61 CO 0.10 0.84 0.35 1.49 0.09 0.00 0.00 178.83 181.70 1p6t h GLU 62 N 1.14 0.62 -0.21 0.06 4.57 -0.39 -0.67 114.58 119.70 1p6t h GLU 62 Ca 0.29 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1p6t h GLU 62 Cb 0.04 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1p6t h GLU 62 CO -0.04 0.41 0.07 0.87 -1.18 0.00 0.00 179.01 179.14 1p6t h LYS 63 N 0.64 0.32 -0.45 1.92 1.79 0.31 0.17 116.57 121.27 1p6t h LYS 63 Ca 0.29 -0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.79 1p6t h LYS 63 Cb 0.20 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.72 1p6t h LYS 63 CO -0.19 0.41 -0.09 0.82 -1.08 0.00 0.00 179.45 179.32 1p6t h ILE 64 N 0.17 0.56 -0.22 1.86 2.04 -0.91 0.13 117.51 121.16 1p6t h ILE 64 Ca 0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1p6t h ILE 64 Cb 0.22 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1p6t h ILE 64 CO -0.00 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.87 1p6t h GLU 65 N 0.02 0.35 -0.72 2.37 5.08 -0.66 -2.56 114.58 118.46 1p6t h GLU 65 Ca 0.22 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1p6t h GLU 65 Cb 0.33 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1p6t h GLU 65 CO -0.45 0.48 0.47 0.87 -1.00 0.00 0.00 179.01 179.38 1p6t h LYS 66 N 0.16 0.59 0.00 2.33 1.57 -0.23 0.14 116.57 121.14 1p6t h LYS 66 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1p6t h LYS 66 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1p6t h LYS 66 CO 0.00 0.39 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 1p6t n LEU 67 N -4.49 0.26 -0.24 2.94 4.77 0.43 -4.88 117.00 115.80 1p6t n LEU 67 Ca 0.12 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1p6t n LEU 67 Cb 0.34 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1p6t n LEU 67 CO 0.33 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1p6t n GLY 68 N -0.30 0.89 3.59 -0.72 0.00 0.50 -5.09 105.19 104.05 1p6t n GLY 68 Ca 0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.28 1.85 -0.05 1.61 1.51 -1.07 -4.97 117.35 113.96 1p6t s TYR 69 Ca 0.00 -1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 54.88 1p6t s TYR 69 Cb 0.00 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1p6t s TYR 69 CO 0.00 -0.09 0.13 -1.58 -1.11 0.00 0.00 175.55 172.91 1p6t s HIS 70 N -3.10 -0.15 0.05 2.71 2.46 -1.16 -4.29 115.29 111.81 1p6t s HIS 70 Ca 0.20 0.38 -0.19 0.00 0.47 0.00 0.00 55.06 55.92 1p6t s HIS 70 Cb 0.03 0.02 -0.06 0.00 -0.13 0.00 0.00 32.58 32.43 1p6t s HIS 70 CO 0.11 -0.09 0.55 0.14 -2.47 0.00 0.00 174.74 172.98 1p6t s VAL 71 N 0.33 4.80 -1.42 0.89 -7.23 -1.26 -0.44 120.40 116.07 1p6t s VAL 71 Ca -0.02 1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 61.24 1p6t s VAL 71 Cb -0.03 -3.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.00 1p6t s VAL 71 CO -0.01 0.54 2.81 0.52 -0.31 0.00 0.00 175.10 178.65 1p6t n VAL 72 N 1.86 4.53 -5.03 1.32 0.31 -0.12 -4.88 118.33 116.32 1p6t n VAL 72 Ca -0.10 -3.10 -0.28 0.00 -0.01 0.00 0.00 64.34 60.85 1p6t n VAL 72 Cb 0.51 -2.39 -0.16 0.00 -0.91 0.00 0.00 33.84 30.89 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 0.93 1.70 0.02 2.52 2.01 -1.26 -4.13 115.64 117.42 1p6t s THR 73 Ca 0.64 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1p6t s THR 73 Cb 0.19 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 1p6t s THR 73 CO -0.07 0.48 -0.08 -1.83 -0.69 0.00 0.00 174.62 172.43 1p6t s GLU 74 N -0.16 0.59 -1.15 4.92 -1.05 0.00 -4.88 118.70 116.96 1p6t s GLU 74 Ca -0.01 -0.48 -0.18 0.00 -0.15 0.00 0.00 54.97 54.15 1p6t s GLU 74 Cb -0.11 -0.50 0.11 0.00 -0.44 0.00 0.00 34.13 33.18 1p6t s GLU 74 CO 0.02 0.12 1.48 -1.59 0.95 0.00 0.00 175.26 176.24 1p6t s LYS 75 N -0.77 3.86 0.17 -4.83 -2.85 -1.26 -1.33 119.74 112.73 1p6t s LYS 75 Ca -0.02 -1.94 -0.19 0.00 -1.00 0.00 0.00 55.97 52.82 1p6t s LYS 75 Cb -0.06 -5.25 -0.08 0.00 -2.06 0.00 0.00 37.83 30.39 1p6t s LYS 75 CO 0.00 -2.02 0.66 0.00 0.10 0.00 0.00 175.35 174.09 1p6t s ALA 76 N 3.33 3.49 -0.19 0.59 0.00 0.19 -4.87 121.76 124.31 1p6t s ALA 76 Ca 0.45 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 1p6t s ALA 76 Cb -0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 1p6t s ALA 76 CO -0.01 0.37 0.26 -1.21 0.00 0.00 0.00 175.76 175.17 1p6t s GLU 77 N -1.69 4.19 0.01 0.00 2.02 -1.26 -0.18 118.70 121.80 1p6t s GLU 77 Ca 0.38 -0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.41 1p6t s GLU 77 Cb -0.18 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 1p6t s GLU 77 CO 0.21 0.15 -0.11 -0.06 0.02 0.00 0.00 175.26 175.48 1p6t s PHE 78 N 0.75 2.78 0.09 1.61 0.40 0.31 -2.40 117.98 121.50 1p6t s PHE 78 Ca 0.14 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1p6t s PHE 78 Cb -0.13 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1p6t s PHE 78 CO 0.04 0.32 0.23 0.34 0.70 0.00 0.00 175.22 176.85 1p6t s ASP 79 N -1.39 6.33 -0.22 1.36 -1.08 0.10 -0.41 116.67 121.36 1p6t s ASP 79 Ca 0.16 0.23 0.01 0.00 -0.52 0.00 0.00 52.55 52.43 1p6t s ASP 79 Cb -0.11 -1.93 0.05 0.00 -1.46 0.00 0.00 42.92 39.47 1p6t s ASP 79 CO 0.06 0.13 -0.08 -0.63 0.52 0.00 0.00 175.17 175.18 1p6t s ILE 80 N -1.58 1.65 -1.19 4.11 1.01 0.28 -0.34 121.20 125.15 1p6t s ILE 80 Ca 0.35 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1p6t s ILE 80 Cb -0.12 -1.82 0.21 0.00 0.01 0.00 0.00 42.46 40.74 1p6t s ILE 80 CO 0.28 0.01 1.46 -0.62 0.00 0.00 0.00 174.94 176.07 1p6t n GLU 81 N 4.65 3.61 0.00 2.79 1.02 -0.17 -3.95 120.64 128.59 1p6t n GLU 81 Ca -0.13 -4.02 0.00 0.00 -0.02 0.00 0.00 57.16 52.99 1p6t n GLU 81 Cb 0.45 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 82 N 3.13 -0.42 3.36 0.62 0.00 -1.26 -2.48 105.19 108.14 1p6t n GLY 82 Ca 0.33 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 1p6t n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 83 N -2.28 0.24 -2.60 1.61 0.00 -1.25 -3.36 117.12 109.48 1p6t n MET 83 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 57.70 57.61 1p6t n MET 83 Cb 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 33.22 31.76 1p6t n MET 83 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1p6t n THR 84 N -1.93 -1.27 -0.02 1.12 5.66 -1.26 -4.85 114.28 111.73 1p6t n THR 84 Ca 0.09 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.04 1p6t n THR 84 Cb 0.49 -2.90 -0.02 0.00 -1.55 0.00 0.00 70.33 66.35 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 -3.08 -2.19 -3.19 0.00 0.00 -1.26 -4.98 120.51 105.82 1p6t n ALA 86 Ca -0.09 -0.93 -0.21 0.00 0.00 0.00 0.00 53.44 52.21 1p6t n ALA 86 Cb 0.57 -2.15 -0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 1.09 -1.02 -0.04 0.00 0.00 -1.26 -4.84 120.51 114.44 1p6t n ALA 87 Ca 0.03 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 87 Cb 0.69 -2.63 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 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 0.54 1.60 -0.23 0.00 0.00 -1.88 0.11 119.26 119.40 1p6t h ALA 89 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1p6t h ALA 89 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1p6t h ALA 89 CO 0.03 0.31 -0.07 -0.91 0.00 0.00 0.00 179.25 178.60 1p6t h ASN 90 N 0.89 0.47 0.10 0.00 2.35 -1.74 0.19 115.58 117.83 1p6t h ASN 90 Ca 0.32 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1p6t h ASN 90 Cb 0.14 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1p6t h ASN 90 CO -0.10 0.74 -0.32 0.03 -1.65 0.00 0.00 177.43 176.13 1p6t h ARG 91 N 0.19 -0.51 -0.88 0.81 3.08 -0.27 -0.43 114.38 116.36 1p6t h ARG 91 Ca 0.06 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1p6t h ARG 91 Cb 0.54 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 1p6t h ARG 91 CO 0.03 -0.34 0.53 -0.84 -1.07 0.00 0.00 179.97 178.28 1p6t h ILE 92 N -0.53 1.24 0.44 2.04 3.07 -0.74 -2.45 117.51 120.58 1p6t h ILE 92 Ca 0.04 -0.53 -0.01 0.00 1.55 0.00 0.00 64.86 65.90 1p6t h ILE 92 Cb 0.57 -0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.10 1p6t h ILE 92 CO -0.20 0.26 -0.46 -0.08 -1.05 0.00 0.00 178.15 176.61 1p6t h GLU 93 N 1.22 -0.87 -0.40 0.16 4.22 -0.16 0.24 114.58 118.99 1p6t h GLU 93 Ca 0.32 0.06 0.11 0.00 0.08 0.00 0.00 59.36 59.93 1p6t h GLU 93 Cb -0.05 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1p6t h GLU 93 CO -0.06 -0.58 0.31 0.87 -2.18 0.00 0.00 179.01 177.38 1p6t h LYS 94 N -0.90 0.00 0.00 1.92 1.79 -0.91 0.20 116.57 118.67 1p6t h LYS 94 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1p6t h LYS 94 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1p6t h LYS 94 CO -0.07 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.84 1p6t n ARG 95 N -4.22 0.00 -0.32 3.15 5.12 -0.81 -4.31 116.66 115.27 1p6t n ARG 95 Ca 0.07 0.42 0.10 0.00 -1.93 0.00 0.00 57.85 56.51 1p6t n ARG 95 Cb 0.50 -1.09 0.21 0.00 -1.16 0.00 0.00 32.46 30.92 1p6t n ARG 95 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1p6t n LEU 96 N -1.75 -0.20 -0.15 0.55 4.32 0.77 -1.34 117.00 119.20 1p6t n LEU 96 Ca 0.00 1.57 0.09 0.00 -0.02 0.00 0.00 56.01 57.64 1p6t n LEU 96 Cb 0.00 -0.53 0.16 0.00 -1.62 0.00 0.00 43.42 41.43 1p6t n LEU 96 CO 0.00 -1.55 0.38 -3.20 -1.22 0.00 0.00 177.39 171.80 1p6t n ASN 97 N -5.41 0.00 -2.99 -1.43 2.85 0.62 -2.25 115.26 106.65 1p6t n ASN 97 Ca 0.19 0.74 -0.07 0.00 -0.11 0.00 0.00 54.58 55.33 1p6t n ASN 97 Cb 0.61 -0.29 -0.02 0.00 1.24 0.00 0.00 39.78 41.32 1p6t n ASN 97 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1p6t s LYS 98 N -5.10 0.96 0.00 1.20 0.00 -0.45 -4.28 119.74 112.07 1p6t s LYS 98 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 55.97 54.92 1p6t s LYS 98 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 37.83 37.72 1p6t s LYS 98 CO 0.34 -1.29 0.77 0.82 0.00 0.00 0.00 175.35 175.99 1p6t h ILE 99 N 4.96 0.00 0.00 3.79 2.04 -1.18 -3.48 117.51 123.64 1p6t h ILE 99 Ca 0.08 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1p6t h ILE 99 Cb 1.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1p6t h ILE 99 CO 0.09 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.45 1p6t n GLU 100 N -2.30 0.00 -2.51 2.37 2.13 -1.26 -4.96 120.64 114.10 1p6t n GLU 100 Ca -0.01 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.63 1p6t n GLU 100 Cb 0.03 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.76 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 101 N 0.90 4.15 3.46 8.31 0.00 -1.22 -0.73 105.19 120.05 1p6t n GLY 101 Ca 0.00 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.44 4.05 -0.07 1.61 1.01 -1.26 -0.79 120.40 120.52 1p6t s VAL 102 Ca 0.39 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 1p6t s VAL 102 Cb 0.41 -2.84 -0.21 0.00 0.00 0.00 0.00 36.38 33.75 1p6t s VAL 102 CO -0.07 0.42 0.99 0.00 0.00 0.00 0.00 175.10 176.45 1p6t h ALA 103 N 7.48 -0.04 -2.80 5.51 0.00 -0.71 -3.42 119.26 125.29 1p6t h ALA 103 Ca -0.36 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1p6t h ALA 103 Cb 1.18 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1p6t h ALA 103 CO 0.61 -0.17 -0.14 -0.80 0.00 0.00 0.00 179.25 178.75 1p6t s ASN 104 N -5.82 -0.09 -0.45 0.00 0.01 -0.90 -4.79 114.94 102.90 1p6t s ASN 104 Ca -0.16 -0.85 0.07 0.00 -0.71 0.00 0.00 52.86 51.21 1p6t s ASN 104 Cb -0.00 0.55 0.30 0.00 0.41 0.00 0.00 41.25 42.51 1p6t s ASN 104 CO 0.63 -1.07 0.96 0.00 -1.51 0.00 0.00 177.10 176.10 1p6t n ALA 105 N -0.34 -0.28 -1.88 0.60 0.00 -1.26 -0.54 120.51 116.81 1p6t n ALA 105 Ca -0.04 -1.89 -0.41 0.00 0.00 0.00 0.00 53.44 51.10 1p6t n ALA 105 Cb 0.62 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.15 4.41 -0.14 0.00 0.04 -1.11 -4.73 135.00 133.32 1p6t s PRO 106 Ca 0.28 2.08 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 1p6t s PRO 106 Cb 0.28 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1p6t s PRO 106 CO -0.11 -0.17 0.10 0.14 0.04 0.00 0.00 177.00 177.00 1p6t s VAL 107 N -0.52 5.12 0.12 -0.36 -7.23 -1.26 -0.89 120.40 115.38 1p6t s VAL 107 Ca 0.52 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1p6t s VAL 107 Cb -0.37 -3.26 -0.21 0.00 0.56 0.00 0.00 36.38 33.10 1p6t s VAL 107 CO 0.44 0.54 1.27 0.78 -0.31 0.00 0.00 175.10 177.82 1p6t h ASN 108 N 5.75 0.33 0.00 4.85 4.21 -1.16 -3.48 115.58 126.08 1p6t h ASN 108 Ca -0.47 -0.30 0.00 0.00 1.21 0.00 0.00 56.30 56.73 1p6t h ASN 108 Cb 1.19 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1p6t h ASN 108 CO 0.64 1.17 0.00 0.49 -1.29 0.00 0.00 177.43 178.44 1p6t n PHE 109 N -3.59 0.00 -0.30 1.19 3.01 -1.25 -4.39 117.46 112.14 1p6t n PHE 109 Ca -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.39 1p6t n PHE 109 Cb 0.91 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.53 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p6t h ALA 110 N 0.00 1.32 -0.01 4.37 0.00 -1.92 0.32 119.26 123.35 1p6t h ALA 110 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1p6t h ALA 110 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1p6t h ALA 110 CO 0.00 0.60 -0.17 1.28 0.00 0.00 0.00 179.25 180.96 1p6t n LEU 111 N -4.38 1.25 -3.13 0.00 4.77 -1.26 -4.95 117.00 109.30 1p6t n LEU 111 Ca 0.10 -0.37 -0.23 0.00 -0.03 0.00 0.00 56.01 55.48 1p6t n LEU 111 Cb 0.04 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1p6t n LEU 111 CO 0.37 0.22 0.05 -0.62 -1.33 0.00 0.00 177.39 176.09 1p6t n GLU 112 N -0.32 -5.57 -4.41 3.23 1.02 0.10 -4.89 120.64 109.81 1p6t n GLU 112 Ca 0.14 0.90 -0.26 0.00 -0.02 0.00 0.00 57.16 57.92 1p6t n GLU 112 Cb 0.36 -5.80 -0.11 0.00 -0.02 0.00 0.00 31.44 25.87 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 -3.21 2.56 -0.11 2.62 -4.23 -1.26 -0.55 115.64 111.45 1p6t s THR 113 Ca 0.36 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1p6t s THR 113 Cb -0.16 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1p6t s THR 113 CO 0.45 -0.20 -0.18 0.54 -0.54 0.00 0.00 174.62 174.69 1p6t s VAL 114 N -1.92 1.71 -0.16 2.29 0.11 0.45 -0.47 120.40 122.41 1p6t s VAL 114 Ca 0.24 -0.78 -0.26 0.00 -2.93 0.00 0.00 61.98 58.25 1p6t s VAL 114 Cb -0.07 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1p6t s VAL 114 CO 0.12 0.48 0.86 -0.89 -3.33 0.00 0.00 175.10 172.34 1p6t s THR 115 N 0.78 4.87 -0.33 5.04 2.01 -0.07 -0.53 115.64 127.41 1p6t s THR 115 Ca -0.10 1.70 -0.11 0.00 0.31 0.00 0.00 61.69 63.49 1p6t s THR 115 Cb -0.16 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.19 1p6t s THR 115 CO 0.01 0.03 0.19 0.54 -0.69 0.00 0.00 174.62 174.70 1p6t s VAL 116 N 2.09 4.79 -0.62 3.82 0.11 0.74 -2.74 120.40 128.60 1p6t s VAL 116 Ca 0.40 -0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 58.81 1p6t s VAL 116 Cb -0.17 -3.49 0.11 0.00 -1.53 0.00 0.00 36.38 31.30 1p6t s VAL 116 CO 0.13 -0.02 0.73 -1.61 -3.33 0.00 0.00 175.10 171.00 1p6t s GLU 117 N 1.63 3.09 0.22 1.54 2.02 0.29 -0.63 118.70 126.86 1p6t s GLU 117 Ca 0.05 -1.40 -0.09 0.00 0.02 0.00 0.00 54.97 53.54 1p6t s GLU 117 Cb -0.18 -4.31 -0.01 0.00 0.10 0.00 0.00 34.13 29.74 1p6t s GLU 117 CO 0.08 -1.54 0.36 1.52 0.02 0.00 0.00 175.26 175.69 1p6t s TYR 118 N 2.56 0.54 -0.48 1.61 1.13 -0.44 -0.02 117.35 122.26 1p6t s TYR 118 Ca 0.13 -0.87 -0.18 0.00 -1.41 0.00 0.00 57.07 54.74 1p6t s TYR 118 Cb -0.23 -0.03 0.06 0.00 -1.10 0.00 0.00 41.96 40.66 1p6t s TYR 118 CO 0.05 -0.85 0.53 1.21 -2.51 0.00 0.00 175.55 173.98 1p6t s ASN 119 N -3.04 6.20 -0.09 -0.18 3.84 0.03 -0.82 114.94 120.89 1p6t s ASN 119 Ca 0.25 -0.98 -0.02 0.00 0.21 0.00 0.00 52.86 52.32 1p6t s ASN 119 Cb 0.02 -2.25 -0.01 0.00 -0.55 0.00 0.00 41.25 38.46 1p6t s ASN 119 CO 0.07 -0.77 2.38 -0.81 -2.79 0.00 0.00 177.10 175.18 1p6t n PRO 120 N 5.82 1.44 0.06 0.43 -0.04 -1.26 -2.68 135.00 138.77 1p6t n PRO 120 Ca -0.08 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1p6t n PRO 120 Cb 0.45 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1p6t n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p6t n LYS 121 N 1.44 0.00 -0.14 0.54 4.76 -1.26 -4.78 118.16 118.73 1p6t n LYS 121 Ca 0.17 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.58 1p6t n LYS 121 Cb 0.60 -0.40 0.05 0.00 -1.84 0.00 0.00 35.03 33.43 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N 0.00 0.20 0.00 1.97 3.07 -1.90 -3.45 114.58 114.47 1p6t h GLU 122 Ca 0.00 -0.01 -0.46 0.00 -0.50 0.00 0.00 59.36 58.39 1p6t h GLU 122 Cb 0.00 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 27.77 1p6t h GLU 122 CO 0.00 0.13 -0.35 0.00 -1.40 0.00 0.00 179.01 177.39 1p6t n ALA 123 N -2.50 0.36 -3.76 3.43 0.00 -1.09 -5.01 120.51 111.94 1p6t n ALA 123 Ca 0.04 -1.63 -0.05 0.00 0.00 0.00 0.00 53.44 51.79 1p6t n ALA 123 Cb 0.21 0.97 -0.02 0.00 0.00 0.00 0.00 19.45 20.62 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 -2.99 -0.23 0.23 0.00 0.01 -1.26 -4.23 113.70 105.24 1p6t s SER 124 Ca 0.06 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1p6t s SER 124 Cb 0.00 0.56 0.40 0.00 0.21 0.00 0.00 66.02 67.19 1p6t s SER 124 CO 0.04 -1.02 1.29 0.52 0.41 0.00 0.00 173.24 174.48 1p6t n VAL 125 N -0.45 -0.35 -0.32 3.43 0.31 -1.26 -0.51 118.33 119.18 1p6t n VAL 125 Ca -0.06 1.89 -0.03 0.00 -0.01 0.00 0.00 64.34 66.13 1p6t n VAL 125 Cb 0.60 -2.62 0.12 0.00 -0.91 0.00 0.00 33.84 31.03 1p6t n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p6t h SER 126 N 0.00 1.09 -0.24 4.52 0.02 -1.99 0.53 113.55 117.48 1p6t h SER 126 Ca 0.41 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1p6t h SER 126 Cb 0.64 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1p6t h SER 126 CO -0.84 0.85 0.11 -0.78 -1.14 0.00 0.00 176.83 175.03 1p6t h ASP 127 N 1.24 0.16 -0.35 3.07 3.58 -1.21 0.52 116.42 123.44 1p6t h ASP 127 Ca 0.32 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 1p6t h ASP 127 Cb -0.02 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1p6t h ASP 127 CO -0.06 0.13 0.21 -0.07 -2.88 0.00 0.00 179.24 176.57 1p6t h LEU 128 N 0.24 0.41 0.08 2.28 3.38 -1.02 0.28 115.31 120.96 1p6t h LEU 128 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1p6t h LEU 128 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1p6t h LEU 128 CO -0.07 0.33 -0.15 0.11 0.09 0.00 0.00 178.44 178.75 1p6t h LYS 129 N 0.45 -0.28 -0.87 1.13 1.57 -0.78 -2.20 116.57 115.60 1p6t h LYS 129 Ca 0.12 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1p6t h LYS 129 Cb -0.01 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1p6t h LYS 129 CO -0.02 -0.19 0.52 1.49 -0.57 0.00 0.00 179.45 180.68 1p6t h GLU 130 N -0.29 0.85 0.25 3.15 4.22 -0.06 0.91 114.58 123.61 1p6t h GLU 130 Ca 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 1p6t h GLU 130 Cb 0.31 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1p6t h GLU 130 CO -0.09 0.56 -0.14 0.00 -2.18 0.00 0.00 179.01 177.17 1p6t h ALA 131 N 1.46 -0.35 0.00 2.92 0.00 -0.25 0.70 119.26 123.74 1p6t h ALA 131 Ca 0.41 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1p6t h ALA 131 Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1p6t h ALA 131 CO -0.23 -0.70 -0.41 0.28 0.00 0.00 0.00 179.25 178.18 1p6t h VAL 132 N -0.36 1.08 -0.05 0.00 2.07 -0.89 -1.49 116.25 116.61 1p6t h VAL 132 Ca -0.03 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1p6t h VAL 132 Cb 0.29 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1p6t h VAL 132 CO 0.04 0.40 -0.08 -0.78 0.02 0.00 0.00 177.57 177.17 1p6t h ASP 133 N 0.00 -0.25 -0.69 0.57 1.82 -0.24 0.59 116.42 118.22 1p6t h ASP 133 Ca -0.00 0.05 0.13 0.00 -0.39 0.00 0.00 57.03 56.81 1p6t h ASP 133 Cb 0.84 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 40.87 1p6t h ASP 133 CO 0.05 -0.12 0.23 0.11 -1.61 0.00 0.00 179.24 177.91 1p6t h LYS 134 N -0.12 0.36 0.00 0.28 1.57 -0.43 0.20 116.57 118.43 1p6t h LYS 134 Ca 0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1p6t h LYS 134 Cb 0.19 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1p6t h LYS 134 CO -0.12 0.24 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.85 1p6t h LEU 135 N 0.37 0.00 -0.12 2.94 -0.00 -0.50 -3.47 115.31 114.54 1p6t h LEU 135 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 1p6t h LEU 135 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1p6t h LEU 135 CO -0.40 0.08 0.00 0.61 -0.00 0.00 0.00 178.44 178.73 1p6t n GLY 136 N -0.82 1.27 0.00 0.83 0.00 0.70 -5.09 105.19 102.08 1p6t n GLY 136 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.95 0.00 -4.14 1.61 4.01 -0.72 -5.02 117.16 111.95 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 0.10 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.37 1.15 -0.16 -0.72 0.00 -1.03 -4.05 119.74 114.57 1p6t s LYS 138 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 55.97 55.75 1p6t s LYS 138 Cb 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 37.83 36.63 1p6t s LYS 138 CO 0.00 -0.14 0.00 -1.17 0.00 0.00 0.00 175.35 174.04 1p6t s LEU 139 N 1.22 3.48 0.42 2.77 2.96 -1.26 -1.00 118.68 127.27 1p6t s LEU 139 Ca -0.06 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1p6t s LEU 139 Cb -0.14 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1p6t s LEU 139 CO -0.02 0.20 0.10 -0.54 -1.32 0.00 0.00 176.35 174.76 1p6t s LYS 140 N 0.22 1.97 0.03 1.98 1.02 0.54 -4.76 119.74 120.73 1p6t s LYS 140 Ca 0.00 -2.20 0.01 0.00 0.02 0.00 0.00 55.97 53.80 1p6t s LYS 140 Cb -0.13 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1p6t s LYS 140 CO 0.02 -0.43 0.06 -0.51 -0.92 0.00 0.00 175.35 173.58 1p6t s LEU 141 N -3.65 3.78 -0.84 3.17 1.02 -1.26 0.01 118.68 120.91 1p6t s LEU 141 Ca 0.21 0.06 -0.25 0.00 0.02 0.00 0.00 54.13 54.17 1p6t s LEU 141 Cb 0.03 -2.30 0.04 0.00 0.02 0.00 0.00 46.19 43.98 1p6t s LEU 141 CO 0.12 0.24 1.32 -0.54 0.02 0.00 0.00 176.35 177.51 1p6t s LYS 142 N -1.95 3.34 0.00 1.70 1.02 -1.01 -4.54 119.74 118.30 1p6t s LYS 142 Ca 0.25 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1p6t s LYS 142 Cb -0.12 -4.64 0.00 0.00 -0.52 0.00 0.00 37.83 32.55 1p6t s LYS 142 CO 0.16 -2.14 0.00 0.41 -0.92 0.00 0.00 175.35 172.86 1p6t n GLY 143 N 5.93 1.91 3.94 -3.33 0.00 -1.26 -4.70 105.19 107.68 1p6t n GLY 143 Ca 0.14 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.99 0.00 1.61 2.13 -1.26 -4.62 120.64 116.50 1p6t n GLU 144 Ca 0.00 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1p6t n GLU 144 Cb 0.00 -4.00 0.00 0.00 0.27 0.00 0.00 31.44 27.71 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 -4.46 0.00 0.00 5.31 6.02 -1.26 -4.98 117.38 118.01 1p6t n GLN 145 Ca -0.22 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.79 1p6t n GLN 145 Cb 0.64 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.89 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p6t n ASP 146 N -1.54 0.66 0.00 1.08 8.00 -1.26 -4.58 116.55 118.91 1p6t n ASP 146 Ca 0.00 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1p6t n ASP 146 Cb 0.00 0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1p6t n SER 147 N -0.68 1.20 -4.31 -2.24 3.41 -1.26 -4.93 113.62 104.81 1p6t n SER 147 Ca 0.02 -1.36 -0.35 0.00 -0.26 0.00 0.00 58.87 56.91 1p6t n SER 147 Cb 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1p6t n ILE 148 N -0.18 2.41 -1.55 -1.33 2.08 -1.26 -4.90 119.36 114.64 1p6t n ILE 148 Ca 0.00 -2.41 -0.23 0.00 0.56 0.00 0.00 62.75 60.67 1p6t n ILE 148 Cb 0.15 -2.27 -0.07 0.00 -0.75 0.00 0.00 39.64 36.70 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1p6t n GLU 149 N 7.87 0.68 0.00 0.38 -0.58 -1.26 -3.89 120.64 123.84 1p6t n GLU 149 Ca 0.47 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1p6t n GLU 149 Cb 0.45 -3.34 0.00 0.00 -0.57 0.00 0.00 31.44 27.98 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 150 N 6.42 0.27 0.68 0.62 0.00 -1.26 -5.13 105.19 106.78 1p6t n GLY 150 Ca 0.46 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.60 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19