#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 -0.12 0.36 4.03 2.34 -1.26 -5.17 118.68 118.86 1p6t s LEU 2 Ca 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 54.13 54.05 1p6t s LEU 2 Cb 0.00 1.56 0.00 0.00 -0.56 0.00 0.00 46.19 47.19 1p6t s LEU 2 CO 0.00 -0.40 0.00 -0.24 -1.06 0.00 0.00 176.35 174.65 1p6t n SER 3 N -0.37 -4.73 -4.02 1.48 2.88 -1.26 -4.80 113.62 102.79 1p6t n SER 3 Ca -0.06 0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 58.02 1p6t n SER 3 Cb 0.61 -2.77 -0.00 0.00 -0.75 0.00 0.00 64.21 61.29 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1p6t n GLU 4 N -2.89 4.02 -2.13 -1.46 1.02 -1.26 -5.04 120.64 112.91 1p6t n GLU 4 Ca -0.03 -4.55 -0.41 0.00 -0.02 0.00 0.00 57.16 52.15 1p6t n GLU 4 Cb 0.36 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.26 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p6t s GLN 5 N -2.39 4.35 0.03 3.49 -1.52 -1.26 -4.40 119.66 117.96 1p6t s GLN 5 Ca 0.32 2.19 0.03 0.00 -1.95 0.00 0.00 55.36 55.95 1p6t s GLN 5 Cb 0.02 -3.11 -0.04 0.00 -0.22 0.00 0.00 33.01 29.67 1p6t s GLN 5 CO 0.05 -0.23 -0.01 -1.59 -0.25 0.00 0.00 175.29 173.25 1p6t s LYS 6 N -1.19 2.64 -0.11 2.91 -2.85 0.28 -4.90 119.74 116.53 1p6t s LYS 6 Ca 0.52 -0.72 -0.05 0.00 -1.00 0.00 0.00 55.97 54.72 1p6t s LYS 6 Cb -0.39 -2.58 -0.04 0.00 -2.06 0.00 0.00 37.83 32.76 1p6t s LYS 6 CO 0.48 0.59 0.09 -1.21 0.10 0.00 0.00 175.35 175.39 1p6t s GLU 7 N -1.81 3.27 -0.04 1.78 8.01 -1.26 -1.18 118.70 127.46 1p6t s GLU 7 Ca 0.21 -0.24 -0.00 0.00 0.01 0.00 0.00 54.97 54.95 1p6t s GLU 7 Cb -0.11 -3.04 0.03 0.00 -4.31 0.00 0.00 34.13 26.69 1p6t s GLU 7 CO 0.13 0.75 0.01 -1.50 0.01 0.00 0.00 175.26 174.65 1p6t s ILE 8 N -0.96 0.22 -0.15 -1.63 2.07 -0.30 -5.00 121.20 115.44 1p6t s ILE 8 Ca 0.14 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.46 1p6t s ILE 8 Cb -0.12 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.09 1p6t s ILE 8 CO 0.03 0.19 0.02 0.00 -1.91 0.00 0.00 174.94 173.27 1p6t s ALA 9 N 1.43 3.25 0.32 1.50 0.00 -1.26 -0.80 121.76 126.21 1p6t s ALA 9 Ca -0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 1p6t s ALA 9 Cb -0.13 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.29 1p6t s ALA 9 CO -0.03 0.28 0.57 -1.64 0.00 0.00 0.00 175.76 174.94 1p6t s MET 10 N 0.09 1.88 -0.11 0.00 -1.94 0.18 -3.62 119.30 115.79 1p6t s MET 10 Ca 0.03 -1.50 -0.04 0.00 -1.71 0.00 0.00 55.69 52.47 1p6t s MET 10 Cb -0.13 0.51 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 1p6t s MET 10 CO 0.02 -0.81 0.03 -0.65 -0.01 0.00 0.00 175.02 173.59 1p6t s GLN 11 N -3.19 3.24 0.06 2.03 -0.21 -1.26 -0.36 119.66 119.97 1p6t s GLN 11 Ca 0.23 -0.36 0.09 0.00 0.02 0.00 0.00 55.36 55.34 1p6t s GLN 11 Cb -0.02 -2.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.04 1p6t s GLN 11 CO 0.14 0.63 -0.24 0.54 -2.12 0.00 0.00 175.29 174.25 1p6t s VAL 12 N -0.67 1.92 0.50 1.09 0.11 -1.26 -1.00 120.40 121.10 1p6t s VAL 12 Ca 0.11 -1.37 0.07 0.00 -2.93 0.00 0.00 61.98 57.86 1p6t s VAL 12 Cb -0.12 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.08 1p6t s VAL 12 CO 0.02 0.23 0.42 -0.44 -3.33 0.00 0.00 175.10 172.00 1p6t s SER 13 N -1.38 4.78 0.00 3.54 0.01 0.41 -4.68 113.70 116.39 1p6t s SER 13 Ca 0.10 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1p6t s SER 13 Cb -0.09 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1p6t s SER 13 CO 0.03 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1p6t n GLY 14 N -1.72 0.75 3.56 3.44 0.00 -1.26 -3.82 105.19 106.14 1p6t n GLY 14 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.01 2.16 0.30 1.61 1.00 -1.26 -4.78 119.30 118.32 1p6t s MET 15 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 55.69 56.02 1p6t s MET 15 Cb 0.00 -4.85 0.46 0.00 0.00 0.00 0.00 34.83 30.44 1p6t s MET 15 CO 0.00 -3.71 1.68 1.15 0.00 0.00 0.00 175.02 174.14 1p6t h THR 16 N 7.42 1.37 -1.31 2.05 2.02 -1.97 -3.48 112.91 119.00 1p6t h THR 16 Ca -0.00 -1.77 0.35 0.00 0.77 0.00 0.00 66.41 65.76 1p6t h THR 16 Cb 1.04 1.93 -0.13 0.00 -1.74 0.00 0.00 68.15 69.25 1p6t h THR 16 CO 1.13 0.51 0.89 0.00 0.37 0.00 0.00 175.52 178.42 1p6t h ALA 18 N 2.00 1.97 -0.57 0.00 0.00 -1.99 -0.33 119.26 120.34 1p6t h ALA 18 Ca -0.32 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1p6t h ALA 18 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1p6t h ALA 18 CO 0.29 -0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.43 1p6t h ALA 19 N 1.65 1.39 0.69 0.00 0.00 -1.97 0.18 119.26 121.19 1p6t h ALA 19 Ca 0.58 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1p6t h ALA 19 Cb 1.22 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1p6t h ALA 19 CO -0.34 0.48 -0.33 0.00 0.00 0.00 0.00 179.25 179.05 1p6t h ALA 21 N -0.93 -0.28 -0.91 0.00 0.00 -1.27 0.51 119.26 116.38 1p6t h ALA 21 Ca -0.09 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 21 Cb 0.74 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1p6t h ALA 21 CO 0.16 -0.78 0.60 0.00 0.00 0.00 0.00 179.25 179.23 1p6t h ALA 22 N 0.62 1.40 -0.54 0.00 0.00 -0.62 0.02 119.26 120.15 1p6t h ALA 22 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p6t h ALA 22 Cb 0.56 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1p6t h ALA 22 CO -0.55 0.52 0.33 0.00 0.00 0.00 0.00 179.25 179.55 1p6t h ARG 23 N 1.17 0.73 0.65 0.00 2.47 0.90 0.15 114.38 120.44 1p6t h ARG 23 Ca 0.36 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1p6t h ARG 23 Cb -0.03 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.14 1p6t h ARG 23 CO -0.10 0.52 -0.38 0.82 0.56 0.00 0.00 179.97 181.39 1p6t h ILE 24 N 0.72 0.00 -0.78 2.04 2.04 0.04 0.14 117.51 121.72 1p6t h ILE 24 Ca 0.19 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 1p6t h ILE 24 Cb -0.02 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 1p6t h ILE 24 CO -0.04 0.00 0.51 -0.33 0.00 0.00 0.00 178.15 178.29 1p6t h GLU 25 N -0.96 0.89 -0.33 2.37 4.39 -0.84 0.29 114.58 120.39 1p6t h GLU 25 Ca -0.09 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 1p6t h GLU 25 Cb 0.76 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1p6t h GLU 25 CO 0.10 0.59 -0.17 -0.22 -1.16 0.00 0.00 179.01 178.14 1p6t h LYS 26 N 0.91 0.70 -0.92 2.33 3.64 -0.69 0.26 116.57 122.81 1p6t h LYS 26 Ca 0.32 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1p6t h LYS 26 Cb 0.12 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1p6t h LYS 26 CO -0.10 0.91 0.59 0.78 -2.27 0.00 0.00 179.45 179.36 1p6t h GLY 27 N 0.48 1.35 1.06 5.01 0.00 0.13 -2.27 103.07 108.82 1p6t h GLY 27 Ca 0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1p6t h GLY 27 CO 0.05 0.36 -0.35 1.41 0.00 0.00 0.00 176.54 178.01 1p6t h LEU 28 N 1.13 0.89 -2.37 3.11 -0.00 -0.36 -2.96 115.31 114.74 1p6t h LEU 28 Ca 0.37 -0.47 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1p6t h LEU 28 Cb 0.05 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.45 1p6t h LEU 28 CO -0.13 1.18 0.20 0.50 -0.00 0.00 0.00 178.44 180.19 1p6t h LYS 29 N 0.61 0.00 -0.55 1.13 1.63 0.07 0.10 116.57 119.57 1p6t h LYS 29 Ca 0.05 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 1p6t h LYS 29 Cb 0.94 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 1p6t h LYS 29 CO 0.09 0.00 0.37 -0.09 -3.45 0.00 0.00 179.45 176.37 1p6t h ARG 30 N 0.00 0.45 -6.44 1.90 9.65 -1.27 -3.44 114.38 115.23 1p6t h ARG 30 Ca 0.02 -0.03 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 1p6t h ARG 30 Cb 0.43 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1p6t h ARG 30 CO -0.00 0.30 0.90 -1.64 2.80 0.00 0.00 179.97 182.33 1p6t s MET 31 N -5.43 4.24 -1.11 0.20 -1.94 0.36 -4.90 119.30 110.73 1p6t s MET 31 Ca -0.08 2.17 -0.23 0.00 -1.71 0.00 0.00 55.69 55.84 1p6t s MET 31 Cb 0.19 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.41 1p6t s MET 31 CO 0.74 -0.64 1.96 -1.25 -0.01 0.00 0.00 175.02 175.82 1p6t s PRO 32 N 2.32 2.41 0.00 2.03 0.04 -1.26 -2.06 135.00 138.48 1p6t s PRO 32 Ca 0.69 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1p6t s PRO 32 Cb -0.37 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 28.99 1p6t s PRO 32 CO 0.30 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.79 1p6t n GLY 33 N 6.08 0.66 3.65 0.56 0.00 -1.26 -4.59 105.19 110.29 1p6t n GLY 33 Ca 0.44 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.96 1p6t n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p6t n VAL 34 N 0.00 0.63 -0.08 1.61 0.31 -0.88 -0.49 118.33 119.43 1p6t n VAL 34 Ca 0.00 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1p6t n VAL 34 Cb 0.00 -2.20 -0.07 0.00 -0.91 0.00 0.00 33.84 30.67 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 5.86 0.55 -1.49 2.52 2.02 -1.10 -3.47 112.91 117.81 1p6t h THR 35 Ca -0.47 -1.64 -0.30 0.00 0.77 0.00 0.00 66.41 64.77 1p6t h THR 35 Cb 1.25 1.26 -0.24 0.00 -1.74 0.00 0.00 68.15 68.69 1p6t h THR 35 CO 0.95 0.19 -0.66 -0.62 0.37 0.00 0.00 175.52 175.75 1p6t s ASP 36 N -6.27 -0.40 -0.14 4.18 2.15 -0.02 -5.02 116.67 111.16 1p6t s ASP 36 Ca -0.20 -2.12 -0.28 0.00 0.43 0.00 0.00 52.55 50.37 1p6t s ASP 36 Cb 0.03 1.08 -0.01 0.00 -0.30 0.00 0.00 42.92 43.72 1p6t s ASP 36 CO 0.41 -0.10 0.94 0.00 -0.17 0.00 0.00 175.17 176.24 1p6t s ALA 37 N 0.67 3.46 0.04 3.66 0.00 -1.26 -2.73 121.76 125.61 1p6t s ALA 37 Ca 0.30 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 1p6t s ALA 37 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1p6t s ALA 37 CO -0.10 -0.64 -0.03 -0.80 0.00 0.00 0.00 175.76 174.19 1p6t s ASN 38 N 1.11 0.45 -0.24 0.00 0.01 -0.14 -4.93 114.94 111.21 1p6t s ASN 38 Ca 0.44 -0.86 -0.07 0.00 -0.71 0.00 0.00 52.86 51.66 1p6t s ASN 38 Cb -0.17 0.17 0.11 0.00 0.41 0.00 0.00 41.25 41.77 1p6t s ASN 38 CO 0.15 -0.51 0.50 0.54 -1.51 0.00 0.00 177.10 176.27 1p6t s VAL 39 N -3.24 -0.78 -0.73 1.60 0.11 -1.26 -0.40 120.40 115.70 1p6t s VAL 39 Ca 0.01 0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 58.96 1p6t s VAL 39 Cb 0.03 -0.80 0.12 0.00 -1.53 0.00 0.00 36.38 34.19 1p6t s VAL 39 CO -0.07 0.03 0.88 0.20 -3.33 0.00 0.00 175.10 172.81 1p6t s ASN 40 N 2.71 6.38 0.51 3.54 -0.87 0.59 -4.88 114.94 122.92 1p6t s ASN 40 Ca -0.01 -1.68 0.18 0.00 -1.57 0.00 0.00 52.86 49.79 1p6t s ASN 40 Cb -0.12 -2.34 1.28 0.00 -0.02 0.00 0.00 41.25 40.05 1p6t s ASN 40 CO -0.15 -1.10 2.12 0.17 -2.57 0.00 0.00 177.10 175.56 1p6t h LEU 41 N 10.11 0.00 -1.21 0.60 8.10 -1.94 0.95 115.31 131.92 1p6t h LEU 41 Ca -0.12 0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.93 1p6t h LEU 41 Cb 1.06 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.23 1p6t h LEU 41 CO 1.08 0.06 0.55 0.00 -4.11 0.00 0.00 178.44 176.02 1p6t h ALA 42 N 1.94 1.53 -0.25 0.17 0.00 -1.95 -0.75 119.26 119.96 1p6t h ALA 42 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p6t h ALA 42 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1p6t h ALA 42 CO 0.01 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.87 1p6t n THR 43 N -4.47 1.82 -4.17 0.00 -2.24 -1.02 -5.00 114.28 99.20 1p6t n THR 43 Ca 0.12 -1.62 -0.30 0.00 -2.27 0.00 0.00 64.05 59.98 1p6t n THR 43 Cb 0.17 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.30 -0.88 -3.97 -0.78 1.02 -0.05 -4.94 120.64 110.74 1p6t n GLU 44 Ca 0.17 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 57.09 1p6t n GLU 44 Cb 0.70 -3.20 -0.16 0.00 -0.02 0.00 0.00 31.44 28.76 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 -4.22 1.42 -0.17 2.62 2.01 0.13 -4.14 115.64 113.28 1p6t s THR 45 Ca 0.04 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 1p6t s THR 45 Cb -0.02 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 1p6t s THR 45 CO 0.92 0.32 0.28 0.54 -0.69 0.00 0.00 174.62 175.99 1p6t s VAL 46 N 1.53 5.30 -0.24 3.82 0.11 0.51 -0.30 120.40 131.15 1p6t s VAL 46 Ca 0.03 0.52 0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1p6t s VAL 46 Cb -0.14 -3.62 0.06 0.00 -1.53 0.00 0.00 36.38 31.14 1p6t s VAL 46 CO -0.09 0.37 -0.08 0.20 -3.33 0.00 0.00 175.10 172.17 1p6t s ASN 47 N 0.58 3.94 -0.16 3.54 0.01 0.47 -0.65 114.94 122.67 1p6t s ASN 47 Ca 0.16 -1.19 -0.02 0.00 -0.71 0.00 0.00 52.86 51.09 1p6t s ASN 47 Cb -0.13 -1.29 -0.02 0.00 0.41 0.00 0.00 41.25 40.22 1p6t s ASN 47 CO 0.04 -0.21 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.66 1p6t s VAL 48 N 1.32 3.51 -0.19 1.60 1.01 0.02 -0.96 120.40 126.70 1p6t s VAL 48 Ca -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1p6t s VAL 48 Cb -0.19 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1p6t s VAL 48 CO -0.06 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 1p6t s ILE 49 N 0.57 2.18 0.32 2.22 1.01 -1.11 -1.15 121.20 125.24 1p6t s ILE 49 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1p6t s ILE 49 Cb -0.15 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.41 1p6t s ILE 49 CO 0.03 0.50 0.66 -0.72 0.00 0.00 0.00 174.94 175.41 1p6t s TYR 50 N 1.30 0.23 -0.13 3.97 1.13 -0.33 -0.46 117.35 123.06 1p6t s TYR 50 Ca 0.04 -0.72 -0.22 0.00 -1.41 0.00 0.00 57.07 54.76 1p6t s TYR 50 Cb -0.13 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 1p6t s TYR 50 CO -0.12 -1.30 0.68 0.34 -2.51 0.00 0.00 175.55 172.64 1p6t s ASP 51 N -3.04 6.85 0.00 -0.18 -1.08 0.36 -0.55 116.67 119.02 1p6t s ASP 51 Ca 0.18 1.03 0.00 0.00 -0.52 0.00 0.00 52.55 53.24 1p6t s ASP 51 Cb -0.04 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1p6t s ASP 51 CO 0.11 -0.21 0.38 -0.81 0.52 0.00 0.00 175.17 175.16 1p6t n PRO 52 N 4.44 0.58 -0.45 4.34 -0.04 -1.26 -3.45 135.00 139.16 1p6t n PRO 52 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1p6t n PRO 52 Cb 0.50 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.36 1.89 0.00 0.55 0.00 -1.26 -4.87 120.51 117.18 1p6t n ALA 53 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1p6t n ALA 53 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -5.07 120.64 115.37 1p6t n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1p6t n GLU 54 Cb 0.61 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 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 -1.69 0.00 0.00 2.62 -1.04 -1.24 -4.96 114.28 107.97 1p6t n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1p6t n THR 55 Cb 0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 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 3.81 2.20 0.18 3.41 0.00 -1.26 -4.51 105.19 109.01 1p6t n GLY 56 Ca 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 46.02 44.79 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 2.10 -0.21 -0.24 2.61 5.66 -1.26 0.46 114.28 123.40 1p6t n THR 57 Ca 0.00 1.12 -0.05 0.00 -3.05 0.00 0.00 64.05 62.06 1p6t n THR 57 Cb 0.00 -1.56 0.05 0.00 -1.55 0.00 0.00 70.33 67.27 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 0.98 0.86 -0.35 1.79 0.00 -1.89 0.33 119.26 120.98 1p6t h ALA 58 Ca 0.25 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1p6t h ALA 58 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1p6t h ALA 58 CO -0.50 0.29 -0.29 0.00 0.00 0.00 0.00 179.25 178.75 1p6t h ALA 59 N 1.25 0.83 0.22 0.00 0.00 -0.23 0.46 119.26 121.78 1p6t h ALA 59 Ca 0.25 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1p6t h ALA 59 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1p6t h ALA 59 CO -0.05 0.64 -0.35 0.82 0.00 0.00 0.00 179.25 180.31 1p6t h ILE 60 N 0.64 0.28 -0.77 0.00 1.08 -0.13 0.22 117.51 118.83 1p6t h ILE 60 Ca 0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 1p6t h ILE 60 Cb 0.81 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1p6t h ILE 60 CO 0.07 0.00 0.38 0.06 -0.69 0.00 0.00 178.15 177.97 1p6t h GLN 61 N -0.64 1.09 -0.62 2.37 3.07 -0.86 -0.58 115.11 118.94 1p6t h GLN 61 Ca 0.01 -0.15 0.06 0.00 0.09 0.00 0.00 58.65 58.66 1p6t h GLN 61 Cb 0.62 -0.20 -0.05 0.00 0.08 0.00 0.00 27.48 27.93 1p6t h GLN 61 CO -0.14 0.83 0.33 1.49 0.09 0.00 0.00 178.83 181.42 1p6t h GLU 62 N 1.08 0.59 -0.26 0.06 4.81 -0.42 -0.56 114.58 119.90 1p6t h GLU 62 Ca 0.27 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1p6t h GLU 62 Cb 0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1p6t h GLU 62 CO -0.04 0.39 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.39 1p6t h LYS 63 N 0.61 0.48 -0.36 1.92 3.11 0.73 0.13 116.57 123.20 1p6t h LYS 63 Ca 0.28 -0.17 0.07 0.00 -2.81 0.00 0.00 60.65 58.02 1p6t h LYS 63 Cb 0.19 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.32 1p6t h LYS 63 CO -0.19 0.67 -0.06 0.82 -2.81 0.00 0.00 179.45 177.89 1p6t h ILE 64 N 0.24 0.67 -0.14 2.00 2.04 -0.90 0.10 117.51 121.53 1p6t h ILE 64 Ca 0.07 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1p6t h ILE 64 Cb 0.47 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1p6t h ILE 64 CO 0.02 0.01 0.07 -0.33 0.00 0.00 0.00 178.15 177.92 1p6t h GLU 65 N 0.03 0.20 -0.69 2.37 5.08 -0.71 -2.57 114.58 118.30 1p6t h GLU 65 Ca 0.17 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1p6t h GLU 65 Cb 0.26 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1p6t h GLU 65 CO -0.34 0.24 0.46 0.87 -1.00 0.00 0.00 179.01 179.23 1p6t h LYS 66 N 0.11 0.56 0.00 2.33 1.57 -0.40 0.16 116.57 120.90 1p6t h LYS 66 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1p6t h LYS 66 Cb 0.10 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1p6t h LYS 66 CO -0.01 0.37 0.00 1.28 -0.57 0.00 0.00 179.45 180.52 1p6t n LEU 67 N -4.49 0.52 -0.09 2.94 7.99 0.33 -4.84 117.00 119.36 1p6t n LEU 67 Ca 0.11 0.72 0.00 0.00 -0.01 0.00 0.00 56.01 56.83 1p6t n LEU 67 Cb 0.34 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 1p6t n LEU 67 CO 0.33 -0.84 0.00 0.61 -1.51 0.00 0.00 177.39 175.99 1p6t n GLY 68 N -1.08 0.81 3.37 -0.72 0.00 0.54 -5.04 105.19 103.06 1p6t n GLY 68 Ca -0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.80 1.76 0.07 1.61 1.51 -1.18 -4.98 117.35 114.34 1p6t s TYR 69 Ca 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 57.07 54.53 1p6t s TYR 69 Cb 0.00 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1p6t s TYR 69 CO 0.00 -0.67 -0.05 -1.01 -1.11 0.00 0.00 175.55 172.72 1p6t s HIS 70 N -3.37 0.65 -0.09 2.71 3.76 -1.25 -4.23 115.29 113.48 1p6t s HIS 70 Ca 0.34 -0.96 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 1p6t s HIS 70 Cb 0.02 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 1p6t s HIS 70 CO 0.23 -0.27 0.05 0.14 -0.85 0.00 0.00 174.74 174.04 1p6t s VAL 71 N -3.57 4.72 -0.59 -0.90 -7.23 -1.26 -0.44 120.40 111.12 1p6t s VAL 71 Ca 0.07 -0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.05 1p6t s VAL 71 Cb 0.05 -3.03 -0.13 0.00 0.56 0.00 0.00 36.38 33.84 1p6t s VAL 71 CO -0.07 0.59 3.20 0.52 -0.31 0.00 0.00 175.10 179.03 1p6t n VAL 72 N 2.00 3.58 -4.31 1.32 0.31 -0.17 -4.86 118.33 116.21 1p6t n VAL 72 Ca -0.19 -2.29 -0.19 0.00 -0.01 0.00 0.00 64.34 61.66 1p6t n VAL 72 Cb 0.54 -2.07 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 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 0.46 0.65 0.01 2.52 2.01 -1.26 -4.14 115.64 115.89 1p6t s THR 73 Ca 0.65 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 1p6t s THR 73 Cb 0.29 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1p6t s THR 73 CO -0.06 0.20 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.23 1p6t s GLU 74 N 0.09 0.08 -1.23 4.92 -1.05 -0.82 -4.91 118.70 115.78 1p6t s GLU 74 Ca -0.01 -0.16 -0.16 0.00 -0.15 0.00 0.00 54.97 54.48 1p6t s GLU 74 Cb -0.06 0.03 0.12 0.00 -0.44 0.00 0.00 34.13 33.78 1p6t s GLU 74 CO 0.00 -0.01 1.55 -1.59 0.95 0.00 0.00 175.26 176.16 1p6t s LYS 75 N -0.40 4.00 0.46 -4.83 -2.85 -1.26 -2.43 119.74 112.44 1p6t s LYS 75 Ca -0.04 -2.22 -0.13 0.00 -1.00 0.00 0.00 55.97 52.58 1p6t s LYS 75 Cb -0.03 -5.28 -0.07 0.00 -2.06 0.00 0.00 37.83 30.40 1p6t s LYS 75 CO -0.00 -2.00 0.87 0.00 0.10 0.00 0.00 175.35 174.31 1p6t s ALA 76 N 2.95 3.22 -0.22 0.59 0.00 0.51 -4.82 121.76 123.99 1p6t s ALA 76 Ca 0.47 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 1p6t s ALA 76 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 1p6t s ALA 76 CO 0.03 -0.14 -0.01 -1.21 0.00 0.00 0.00 175.76 174.42 1p6t s GLU 77 N -4.02 3.47 0.12 0.00 2.02 -1.26 -0.20 118.70 118.84 1p6t s GLU 77 Ca 0.54 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 55.03 1p6t s GLU 77 Cb -0.10 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1p6t s GLU 77 CO 0.33 -0.16 -0.09 -0.06 0.02 0.00 0.00 175.26 175.30 1p6t s PHE 78 N 1.42 2.75 0.06 1.61 0.40 0.25 -2.20 117.98 122.27 1p6t s PHE 78 Ca 0.05 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 1p6t s PHE 78 Cb -0.14 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1p6t s PHE 78 CO -0.01 0.45 -0.00 0.34 0.70 0.00 0.00 175.22 176.70 1p6t s ASP 79 N -2.36 5.04 -0.05 1.36 2.15 0.21 -0.48 116.67 122.55 1p6t s ASP 79 Ca 0.23 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 53.10 1p6t s ASP 79 Cb -0.11 -1.23 0.01 0.00 -0.30 0.00 0.00 42.92 41.29 1p6t s ASP 79 CO 0.15 0.21 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.62 1p6t s ILE 80 N -1.24 0.90 -0.48 4.11 1.01 -0.21 0.14 121.20 125.43 1p6t s ILE 80 Ca 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1p6t s ILE 80 Cb -0.12 -0.83 0.13 0.00 0.01 0.00 0.00 42.46 41.65 1p6t s ILE 80 CO 0.16 0.29 0.25 -1.61 0.00 0.00 0.00 174.94 174.03 1p6t s GLU 81 N 0.51 2.01 0.00 2.79 2.02 -0.95 -4.68 118.70 120.40 1p6t s GLU 81 Ca -0.09 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 52.62 1p6t s GLU 81 Cb -0.13 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1p6t s GLU 81 CO 0.02 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.63 1p6t n GLY 82 N 3.74 0.00 0.19 -1.39 0.00 -1.26 -3.73 105.19 102.74 1p6t n GLY 82 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1p6t n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 83 N 0.00 0.58 -1.34 1.61 2.81 -1.26 -4.51 117.12 115.01 1p6t n MET 83 Ca 0.00 -0.37 -0.19 0.00 -1.81 0.00 0.00 57.70 55.33 1p6t n MET 83 Cb 0.00 -1.49 0.11 0.00 -0.71 0.00 0.00 33.22 31.13 1p6t n MET 83 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1p6t n THR 84 N -0.89 2.85 -0.08 2.03 -1.04 -1.26 -3.59 114.28 112.31 1p6t n THR 84 Ca 0.09 -3.21 -0.11 0.00 -2.04 0.00 0.00 64.05 58.78 1p6t n THR 84 Cb 0.36 -0.79 -0.07 0.00 -1.82 0.00 0.00 70.33 68.01 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t n ALA 86 N -2.99 0.00 -2.67 0.00 0.00 -1.26 -5.01 120.51 108.58 1p6t n ALA 86 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1p6t n ALA 86 Cb 0.78 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.44 2.57 0.01 0.00 0.00 -1.26 -4.99 120.51 114.41 1p6t n ALA 87 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 53.44 52.35 1p6t n ALA 87 Cb 0.00 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 18.71 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 1.08 0.01 -0.33 0.00 0.00 -1.87 0.18 119.26 118.33 1p6t h ALA 89 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 89 Cb 0.99 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1p6t h ALA 89 CO 0.09 -0.58 0.21 -0.91 0.00 0.00 0.00 179.25 178.06 1p6t h ASN 90 N -0.15 0.39 -0.20 0.00 2.35 -1.76 0.24 115.58 116.44 1p6t h ASN 90 Ca 0.14 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1p6t h ASN 90 Cb 0.37 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1p6t h ASN 90 CO -0.35 0.30 0.04 0.03 -1.65 0.00 0.00 177.43 175.81 1p6t h ARG 91 N 0.44 0.12 -0.07 0.81 3.08 -0.81 -2.61 114.38 115.35 1p6t h ARG 91 Ca 0.12 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1p6t h ARG 91 Cb -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1p6t h ARG 91 CO -0.02 0.08 -0.26 -0.84 -1.07 0.00 0.00 179.97 177.85 1p6t h ILE 92 N 0.12 1.22 0.37 2.04 3.07 -0.16 -2.99 117.51 121.18 1p6t h ILE 92 Ca 0.09 -1.03 -0.00 0.00 1.55 0.00 0.00 64.86 65.46 1p6t h ILE 92 Cb 0.08 1.47 -0.02 0.00 -0.27 0.00 0.00 36.82 38.07 1p6t h ILE 92 CO -0.11 0.30 -0.37 -0.08 -1.05 0.00 0.00 178.15 176.84 1p6t h GLU 93 N 0.10 -0.73 -0.67 0.16 4.81 -0.17 0.27 114.58 118.35 1p6t h GLU 93 Ca 0.02 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 1p6t h GLU 93 Cb 0.53 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 1p6t h GLU 93 CO 0.04 -0.49 0.46 0.87 -0.73 0.00 0.00 179.01 179.16 1p6t h LYS 94 N -0.76 0.27 0.05 1.92 1.79 -1.38 0.22 116.57 118.68 1p6t h LYS 94 Ca -0.03 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1p6t h LYS 94 Cb 0.68 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1p6t h LYS 94 CO -0.06 0.18 -0.02 0.00 -1.08 0.00 0.00 179.45 178.46 1p6t h ARG 95 N 0.28 -0.06 -1.11 3.15 2.47 -1.16 -3.36 114.38 114.59 1p6t h ARG 95 Ca 0.33 0.00 0.38 0.00 -1.26 0.00 0.00 59.98 59.43 1p6t h ARG 95 Cb 0.89 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.07 1p6t h ARG 95 CO -0.08 -0.04 0.67 -0.07 0.56 0.00 0.00 179.97 181.01 1p6t h LEU 96 N -0.15 0.38 -0.47 3.04 3.38 -0.25 -1.14 115.31 120.10 1p6t h LEU 96 Ca -0.01 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1p6t h LEU 96 Cb 0.05 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1p6t h LEU 96 CO 0.01 -0.20 -0.12 -3.20 0.09 0.00 0.00 178.44 175.02 1p6t n ASN 97 N -4.94 -0.17 -2.70 -0.43 2.85 0.74 -3.39 115.26 107.22 1p6t n ASN 97 Ca 0.34 0.80 -0.07 0.00 -0.11 0.00 0.00 54.58 55.55 1p6t n ASN 97 Cb 1.19 -0.24 0.11 0.00 1.24 0.00 0.00 39.78 42.08 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 -4.76 1.19 -0.08 1.20 -0.00 -0.48 -4.08 118.16 111.15 1p6t n LYS 98 Ca 0.08 -1.90 -0.03 0.00 -0.00 0.00 0.00 58.31 56.46 1p6t n LYS 98 Cb 0.24 -0.14 -0.02 0.00 -0.00 0.00 0.00 35.03 35.11 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1p6t h ILE 99 N 2.08 0.00 0.00 0.58 1.08 -1.44 -3.45 117.51 116.35 1p6t h ILE 99 Ca -0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1p6t h ILE 99 Cb 1.29 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1p6t h ILE 99 CO -0.03 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.81 1p6t n GLU 100 N -3.47 0.00 -1.30 2.37 1.02 -1.26 -4.97 120.64 113.03 1p6t n GLU 100 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1p6t n GLU 100 Cb 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.40 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 1.75 3.87 3.42 0.62 0.00 -1.24 -4.55 105.19 109.06 1p6t n GLY 101 Ca 0.00 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 0.50 4.21 -0.06 1.61 1.01 -1.26 -0.75 120.40 125.66 1p6t s VAL 102 Ca 0.65 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1p6t s VAL 102 Cb 0.27 -3.01 -0.24 0.00 0.00 0.00 0.00 36.38 33.41 1p6t s VAL 102 CO -0.07 0.28 1.00 0.00 0.00 0.00 0.00 175.10 176.32 1p6t h ALA 103 N 8.24 0.02 -2.65 5.51 0.00 -0.73 -3.39 119.26 126.27 1p6t h ALA 103 Ca -0.37 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 1p6t h ALA 103 Cb 1.16 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 1p6t h ALA 103 CO 0.59 0.05 -0.30 -0.80 0.00 0.00 0.00 179.25 178.79 1p6t s ASN 104 N -6.26 0.02 -0.43 0.00 0.01 -0.59 -4.65 114.94 103.03 1p6t s ASN 104 Ca -0.16 -0.83 0.04 0.00 -0.71 0.00 0.00 52.86 51.20 1p6t s ASN 104 Cb 0.00 0.44 0.27 0.00 0.41 0.00 0.00 41.25 42.37 1p6t s ASN 104 CO 0.73 -0.89 1.05 0.00 -1.51 0.00 0.00 177.10 176.48 1p6t n ALA 105 N -0.21 -1.96 -2.33 0.60 0.00 -1.26 -0.45 120.51 114.90 1p6t n ALA 105 Ca -0.08 -1.07 -0.42 0.00 0.00 0.00 0.00 53.44 51.87 1p6t n ALA 105 Cb 0.63 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 0.43 4.43 0.10 0.00 0.04 -1.17 -4.57 135.00 134.26 1p6t s PRO 106 Ca 0.28 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 1p6t s PRO 106 Cb 0.24 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1p6t s PRO 106 CO -0.17 -0.25 0.32 0.14 0.04 0.00 0.00 177.00 177.08 1p6t s VAL 107 N 0.87 5.24 -0.05 -0.36 -7.23 -1.26 -1.80 120.40 115.82 1p6t s VAL 107 Ca 0.58 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1p6t s VAL 107 Cb -0.31 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 1p6t s VAL 107 CO 0.30 0.11 -0.10 0.20 -0.31 0.00 0.00 175.10 175.30 1p6t s ASN 108 N -2.37 4.41 0.00 4.85 -0.87 0.38 -4.99 114.94 116.36 1p6t s ASN 108 Ca 0.38 -0.10 0.24 0.00 -1.57 0.00 0.00 52.86 51.80 1p6t s ASN 108 Cb -0.13 -1.03 0.31 0.00 -0.02 0.00 0.00 41.25 40.38 1p6t s ASN 108 CO 0.25 0.35 1.28 0.33 -2.57 0.00 0.00 177.10 176.73 1p6t n PHE 109 N 2.16 0.00 -0.01 2.20 -0.00 -1.26 -3.28 117.46 117.27 1p6t n PHE 109 Ca -0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.06 1p6t n PHE 109 Cb 0.53 -0.07 -0.14 0.00 -0.00 0.00 0.00 39.48 39.80 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 -0.54 0.89 0.43 3.13 0.00 -1.26 -4.45 120.51 118.71 1p6t n ALA 110 Ca 0.10 -0.59 0.10 0.00 0.00 0.00 0.00 53.44 53.04 1p6t n ALA 110 Cb 0.40 -0.66 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.55 0.44 -3.56 0.00 4.77 -1.26 -4.99 117.00 108.85 1p6t n LEU 111 Ca -0.32 -0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.20 1p6t n LEU 111 Cb 1.02 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.19 1p6t n LEU 111 CO 0.41 0.11 0.18 -0.62 -1.33 0.00 0.00 177.39 176.13 1p6t n GLU 112 N -1.85 -7.22 -4.38 3.23 1.02 -1.21 -4.90 120.64 105.34 1p6t n GLU 112 Ca -0.00 0.82 -0.21 0.00 -0.02 0.00 0.00 57.16 57.75 1p6t n GLU 112 Cb 0.42 -5.83 -0.10 0.00 -0.02 0.00 0.00 31.44 25.91 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 -3.35 1.98 -0.05 2.62 -4.23 -1.23 -1.04 115.64 110.34 1p6t s THR 113 Ca 0.35 -2.23 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1p6t s THR 113 Cb -0.15 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1p6t s THR 113 CO 0.74 -0.50 -0.11 0.54 -0.54 0.00 0.00 174.62 174.75 1p6t s VAL 114 N -2.70 1.05 -0.20 2.29 0.11 0.37 -0.47 120.40 120.86 1p6t s VAL 114 Ca 0.24 -0.45 -0.25 0.00 -2.93 0.00 0.00 61.98 58.59 1p6t s VAL 114 Cb -0.03 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1p6t s VAL 114 CO 0.09 0.33 0.84 -0.89 -3.33 0.00 0.00 175.10 172.14 1p6t s THR 115 N 0.56 4.86 -0.31 5.04 2.01 -0.74 -0.58 115.64 126.47 1p6t s THR 115 Ca -0.12 1.62 -0.10 0.00 0.31 0.00 0.00 61.69 63.40 1p6t s THR 115 Cb -0.14 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1p6t s THR 115 CO 0.03 -0.01 0.17 0.54 -0.69 0.00 0.00 174.62 174.66 1p6t s VAL 116 N 2.41 4.86 -0.87 3.82 0.11 0.72 -3.07 120.40 128.37 1p6t s VAL 116 Ca 0.37 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1p6t s VAL 116 Cb -0.16 -3.43 0.22 0.00 -1.53 0.00 0.00 36.38 31.48 1p6t s VAL 116 CO 0.10 0.11 0.79 -0.70 -3.33 0.00 0.00 175.10 172.07 1p6t s GLU 117 N 1.66 3.47 0.17 1.54 -6.30 0.40 -0.36 118.70 119.27 1p6t s GLU 117 Ca 0.06 -2.86 0.00 0.00 -2.50 0.00 0.00 54.97 49.67 1p6t s GLU 117 Cb -0.17 -4.21 -0.04 0.00 0.00 0.00 0.00 34.13 29.71 1p6t s GLU 117 CO 0.08 -1.25 0.06 1.52 0.02 0.00 0.00 175.26 175.69 1p6t s TYR 118 N -0.59 1.07 -0.54 5.30 1.13 -1.02 -0.11 117.35 122.59 1p6t s TYR 118 Ca 0.23 -1.19 -0.18 0.00 -1.41 0.00 0.00 57.07 54.52 1p6t s TYR 118 Cb -0.12 -0.60 0.09 0.00 -1.10 0.00 0.00 41.96 40.24 1p6t s TYR 118 CO -0.08 -0.43 0.61 1.21 -2.51 0.00 0.00 175.55 174.35 1p6t s ASN 119 N -3.13 6.19 0.00 -0.18 3.84 0.07 -1.95 114.94 119.78 1p6t s ASN 119 Ca 0.28 -1.32 0.00 0.00 0.21 0.00 0.00 52.86 52.03 1p6t s ASN 119 Cb 0.07 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1p6t s ASN 119 CO 0.05 -0.95 0.46 -0.81 -2.79 0.00 0.00 177.10 173.06 1p6t n PRO 120 N 5.97 0.67 -0.08 0.43 -0.04 -1.26 -1.31 135.00 139.38 1p6t n PRO 120 Ca -0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 1p6t n PRO 120 Cb 0.43 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.09 1.22 -0.03 0.54 4.76 -1.26 -4.62 118.16 118.69 1p6t n LYS 121 Ca 0.00 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 1p6t n LYS 121 Cb 0.10 -1.42 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 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 -0.04 -5.02 1.97 4.39 -1.56 -3.48 114.58 110.83 1p6t h GLU 122 Ca -0.45 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.67 1p6t h GLU 122 Cb 1.98 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 30.51 1p6t h GLU 122 CO 0.01 0.65 -0.49 0.00 -1.16 0.00 0.00 179.01 178.02 1p6t s ALA 123 N -3.08 3.09 0.30 3.43 0.00 -1.07 -4.98 121.76 119.46 1p6t s ALA 123 Ca -0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 1p6t s ALA 123 Cb -0.01 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1p6t s ALA 123 CO 0.60 -0.33 0.42 -1.12 0.00 0.00 0.00 175.76 175.33 1p6t s SER 124 N -3.65 0.55 0.35 0.00 0.01 -1.26 -4.14 113.70 105.56 1p6t s SER 124 Ca 0.21 -1.33 0.12 0.00 1.31 0.00 0.00 55.95 56.27 1p6t s SER 124 Cb 0.01 0.60 0.94 0.00 0.21 0.00 0.00 66.02 67.78 1p6t s SER 124 CO 0.14 -1.19 1.77 -0.37 0.41 0.00 0.00 173.24 174.00 1p6t h VAL 125 N 2.22 0.59 -0.95 3.43 -1.51 -2.00 0.16 116.25 118.20 1p6t h VAL 125 Ca -0.29 -0.19 0.14 0.00 -1.23 0.00 0.00 66.70 65.14 1p6t h VAL 125 Cb 1.24 -0.01 -0.08 0.00 -2.13 0.00 0.00 31.29 30.32 1p6t h VAL 125 CO 0.40 0.10 0.60 0.28 -1.23 0.00 0.00 177.57 177.72 1p6t h SER 126 N 0.55 0.77 -0.12 4.19 0.02 -1.98 0.62 113.55 117.60 1p6t h SER 126 Ca 0.60 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.57 1p6t h SER 126 Cb 1.23 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1p6t h SER 126 CO -0.36 0.38 -0.02 -0.78 -1.14 0.00 0.00 176.83 174.91 1p6t h ASP 127 N 0.81 0.22 -0.57 3.07 3.58 -1.08 -0.10 116.42 122.36 1p6t h ASP 127 Ca 0.48 -0.35 0.06 0.00 0.42 0.00 0.00 57.03 57.64 1p6t h ASP 127 Cb 0.66 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 1p6t h ASP 127 CO -0.25 0.51 0.28 -0.07 -2.88 0.00 0.00 179.24 176.84 1p6t h LEU 128 N -0.08 0.38 0.30 2.28 3.38 -1.16 0.30 115.31 120.71 1p6t h LEU 128 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1p6t h LEU 128 Cb 0.41 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1p6t h LEU 128 CO 0.01 0.25 -0.32 0.11 0.09 0.00 0.00 178.44 178.59 1p6t h LYS 129 N 0.53 -0.63 -0.83 1.13 1.79 -0.82 -0.13 116.57 117.61 1p6t h LYS 129 Ca 0.26 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.87 1p6t h LYS 129 Cb 0.20 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.92 1p6t h LYS 129 CO -0.20 -0.42 0.48 1.49 -1.08 0.00 0.00 179.45 179.73 1p6t h GLU 130 N -0.65 0.79 0.21 3.15 4.22 0.34 0.77 114.58 123.41 1p6t h GLU 130 Ca -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1p6t h GLU 130 Cb 0.60 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1p6t h GLU 130 CO -0.07 0.52 -0.10 0.00 -2.18 0.00 0.00 179.01 177.18 1p6t h ALA 131 N 1.45 -0.29 -0.06 2.92 0.00 -0.25 -0.30 119.26 122.75 1p6t h ALA 131 Ca 0.40 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1p6t h ALA 131 Cb 0.35 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1p6t h ALA 131 CO -0.24 -0.58 -0.51 -0.24 0.00 0.00 0.00 179.25 177.68 1p6t h VAL 132 N -0.45 1.36 -0.30 0.00 3.04 -0.48 0.84 116.25 120.25 1p6t h VAL 132 Ca -0.03 -1.77 0.02 0.00 -1.01 0.00 0.00 66.70 63.91 1p6t h VAL 132 Cb 0.35 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 1p6t h VAL 132 CO 0.05 0.52 0.15 0.44 -1.01 0.00 0.00 177.57 177.72 1p6t h ASP 133 N 0.12 0.23 -0.99 3.17 5.19 -0.79 0.24 116.42 123.58 1p6t h ASP 133 Ca 0.00 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1p6t h ASP 133 Cb 0.95 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.36 1p6t h ASP 133 CO 0.07 0.17 0.64 0.11 -3.12 0.00 0.00 179.24 177.12 1p6t h LYS 134 N 0.32 1.12 0.00 3.56 1.57 -0.05 0.87 116.57 123.96 1p6t h LYS 134 Ca 0.12 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1p6t h LYS 134 Cb 0.04 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1p6t h LYS 134 CO -0.08 0.74 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.32 1p6t h LEU 135 N 1.15 0.00 -0.03 2.94 -0.00 -0.08 -3.47 115.31 115.82 1p6t h LEU 135 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.31 1p6t h LEU 135 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1p6t h LEU 135 CO -0.17 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 1p6t n GLY 136 N -0.67 1.58 0.00 0.83 0.00 0.71 -5.08 105.19 102.55 1p6t n GLY 136 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.23 0.00 -4.15 1.61 4.01 -0.39 -5.00 117.16 112.02 1p6t n TYR 137 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1p6t n TYR 137 Cb 0.08 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.00 0.61 0.10 -0.72 0.00 -1.24 -3.48 119.74 114.01 1p6t s LYS 138 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 55.97 55.36 1p6t s LYS 138 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 37.83 37.30 1p6t s LYS 138 CO 0.00 0.11 0.04 -0.51 0.00 0.00 0.00 175.35 174.99 1p6t s LEU 139 N -1.20 3.60 0.29 2.77 1.43 -1.26 -2.24 118.68 122.07 1p6t s LEU 139 Ca -0.05 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.01 1p6t s LEU 139 Cb -0.08 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 1p6t s LEU 139 CO 0.01 0.15 -0.12 -0.54 0.23 0.00 0.00 176.35 176.08 1p6t s LYS 140 N -2.50 1.65 -0.12 1.70 -0.14 0.12 -4.97 119.74 115.49 1p6t s LYS 140 Ca 0.28 -1.82 -0.04 0.00 -1.36 0.00 0.00 55.97 53.03 1p6t s LYS 140 Cb -0.11 -1.50 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 1p6t s LYS 140 CO 0.20 0.16 0.04 -0.51 -0.76 0.00 0.00 175.35 174.48 1p6t s LEU 141 N -3.51 3.74 -1.33 3.17 1.02 -1.26 -0.62 118.68 119.89 1p6t s LEU 141 Ca 0.30 0.16 -0.16 0.00 0.02 0.00 0.00 54.13 54.45 1p6t s LEU 141 Cb 0.01 -1.89 0.08 0.00 0.02 0.00 0.00 46.19 44.40 1p6t s LEU 141 CO 0.14 0.32 1.85 0.29 0.02 0.00 0.00 176.35 178.96 1p6t n LYS 142 N 2.57 3.14 0.00 1.70 5.02 -0.94 -4.69 118.16 124.97 1p6t n LYS 142 Ca -0.18 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 52.95 1p6t n LYS 142 Cb 0.53 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.17 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6t n GLY 143 N 4.82 1.81 4.06 0.72 0.00 -1.26 -4.71 105.19 110.63 1p6t n GLY 143 Ca 0.48 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 1p6t n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6t n GLU 144 N 0.00 -3.01 0.00 1.61 -0.58 -1.26 -4.60 120.64 112.80 1p6t n GLU 144 Ca 0.00 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1p6t n GLU 144 Cb 0.00 -4.56 0.00 0.00 -0.57 0.00 0.00 31.44 26.31 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1p6t n GLN 145 N -4.42 0.00 -0.35 3.49 1.13 -1.26 -5.02 117.38 110.95 1p6t n GLN 145 Ca -0.22 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 1p6t n GLN 145 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.99 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 -1.69 4.63 -4.18 1.08 9.92 -1.26 -4.67 116.55 120.38 1p6t n ASP 146 Ca 0.00 -2.28 -0.30 0.00 -0.53 0.00 0.00 54.79 51.67 1p6t n ASP 146 Cb 0.00 -0.94 -0.06 0.00 -0.64 0.00 0.00 41.12 39.48 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1p6t n SER 147 N 1.21 -0.30 -3.51 -2.24 7.64 -1.26 -4.81 113.62 110.35 1p6t n SER 147 Ca 0.00 -1.14 -0.38 0.00 1.01 0.00 0.00 58.87 58.36 1p6t n SER 147 Cb 0.50 -2.31 -0.05 0.00 -1.01 0.00 0.00 64.21 61.33 1p6t n SER 147 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1p6t n ILE 148 N -4.45 1.64 -3.87 0.44 -5.35 -1.26 -4.76 119.36 101.75 1p6t n ILE 148 Ca -0.23 -1.31 -0.08 0.00 -0.27 0.00 0.00 62.75 60.85 1p6t n ILE 148 Cb 0.65 -2.22 -0.03 0.00 -1.74 0.00 0.00 39.64 36.30 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1p6t s GLU 149 N 4.96 1.67 -0.17 6.28 2.12 -1.26 -4.99 118.70 127.31 1p6t s GLU 149 Ca 0.53 -1.03 0.09 0.00 0.36 0.00 0.00 54.97 54.93 1p6t s GLU 149 Cb 0.13 0.56 0.56 0.00 0.26 0.00 0.00 34.13 35.64 1p6t s GLU 149 CO 0.11 -0.74 1.36 0.41 -0.54 0.00 0.00 175.26 175.87 1p6t n GLY 150 N -0.43 2.56 0.19 -1.50 0.00 -1.26 -5.22 105.19 99.54 1p6t n GLY 150 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.37 1p6t n GLY 150 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36