#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 -0.61 -0.05 3.17 1.98 -1.26 -5.18 118.68 116.73 1p6t s LEU 2 Ca 0.00 0.94 -0.31 0.00 -2.89 0.00 0.00 54.13 51.87 1p6t s LEU 2 Cb 0.00 1.84 0.12 0.00 0.66 0.00 0.00 46.19 48.81 1p6t s LEU 2 CO 0.00 -0.14 1.16 -0.44 -1.89 0.00 0.00 176.35 175.04 1p6t s SER 3 N 1.65 -0.14 -0.40 3.68 0.01 -1.26 -5.11 113.70 112.14 1p6t s SER 3 Ca -0.08 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.17 1p6t s SER 3 Cb -0.05 0.23 0.32 0.00 0.21 0.00 0.00 66.02 66.74 1p6t s SER 3 CO -0.16 -0.40 0.79 -0.62 0.41 0.00 0.00 173.24 173.26 1p6t n GLU 4 N -0.32 0.93 -2.67 12.44 -0.58 -1.26 -5.14 120.64 124.05 1p6t n GLU 4 Ca -0.05 -2.95 -0.28 0.00 -0.42 0.00 0.00 57.16 53.46 1p6t n GLU 4 Cb 0.61 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.99 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1p6t s GLN 5 N -1.48 3.60 -0.06 3.49 -1.52 -1.26 -4.71 119.66 117.72 1p6t s GLN 5 Ca 0.35 0.29 0.04 0.00 -1.95 0.00 0.00 55.36 54.09 1p6t s GLN 5 Cb 0.30 -2.37 -0.02 0.00 -0.22 0.00 0.00 33.01 30.70 1p6t s GLN 5 CO -0.09 -0.17 -0.19 -1.59 -0.25 0.00 0.00 175.29 173.00 1p6t s LYS 6 N -4.52 2.64 -0.21 2.91 -2.85 -0.49 -4.88 119.74 112.33 1p6t s LYS 6 Ca 0.49 -0.79 -0.26 0.00 -1.00 0.00 0.00 55.97 54.40 1p6t s LYS 6 Cb -0.10 -2.31 -0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1p6t s LYS 6 CO 0.42 0.46 0.89 -2.00 0.10 0.00 0.00 175.35 175.22 1p6t s GLU 7 N -0.32 4.24 -0.37 1.78 2.12 -1.26 -2.38 118.70 122.53 1p6t s GLU 7 Ca 0.02 1.09 -0.09 0.00 0.36 0.00 0.00 54.97 56.35 1p6t s GLU 7 Cb -0.13 -3.62 0.04 0.00 0.26 0.00 0.00 34.13 30.68 1p6t s GLU 7 CO 0.02 -0.49 0.17 -1.50 -0.54 0.00 0.00 175.26 172.93 1p6t s ILE 8 N 2.72 4.28 -0.25 -3.70 2.07 0.03 -4.96 121.20 121.40 1p6t s ILE 8 Ca 0.39 -0.99 -0.15 0.00 -1.41 0.00 0.00 60.65 58.49 1p6t s ILE 8 Cb -0.16 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 38.98 1p6t s ILE 8 CO 0.09 -0.24 0.35 0.00 -1.91 0.00 0.00 174.94 173.23 1p6t s ALA 9 N 1.49 3.57 0.10 1.50 0.00 -1.26 -1.45 121.76 125.71 1p6t s ALA 9 Ca 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1p6t s ALA 9 Cb -0.20 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1p6t s ALA 9 CO 0.05 -0.51 0.12 -1.64 0.00 0.00 0.00 175.76 173.78 1p6t s MET 10 N 1.76 0.84 0.11 0.00 1.00 0.22 -3.94 119.30 119.29 1p6t s MET 10 Ca 0.15 -1.16 -0.06 0.00 0.00 0.00 0.00 55.69 54.62 1p6t s MET 10 Cb -0.15 0.29 -0.06 0.00 0.00 0.00 0.00 34.83 34.91 1p6t s MET 10 CO 0.09 -0.25 0.37 -0.65 0.00 0.00 0.00 175.02 174.58 1p6t s GLN 11 N -3.93 3.65 -0.07 2.03 -0.21 -1.26 -0.19 119.66 119.67 1p6t s GLN 11 Ca 0.11 -0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.36 1p6t s GLN 11 Cb 0.06 -2.91 0.03 0.00 1.00 0.00 0.00 33.01 31.18 1p6t s GLN 11 CO -0.07 0.51 0.29 0.54 -2.12 0.00 0.00 175.29 174.45 1p6t s VAL 12 N -1.55 0.03 0.45 1.09 0.11 -1.25 -0.85 120.40 118.42 1p6t s VAL 12 Ca 0.37 -0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.29 1p6t s VAL 12 Cb -0.13 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1p6t s VAL 12 CO 0.22 -0.11 0.40 -0.44 -3.33 0.00 0.00 175.10 171.84 1p6t s SER 13 N -0.44 4.94 0.00 3.54 0.01 0.24 -4.62 113.70 117.37 1p6t s SER 13 Ca -0.06 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1p6t s SER 13 Cb -0.04 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1p6t s SER 13 CO 0.02 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1p6t n GLY 14 N -1.62 2.39 3.55 3.44 0.00 -1.26 -3.87 105.19 107.82 1p6t n GLY 14 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.37 2.00 0.00 1.61 1.00 -1.26 -4.79 119.30 117.49 1p6t s MET 15 Ca 0.00 1.18 0.23 0.00 0.00 0.00 0.00 55.69 57.10 1p6t s MET 15 Cb 0.00 -4.63 1.02 0.00 0.00 0.00 0.00 34.83 31.23 1p6t s MET 15 CO 0.00 -3.52 1.75 2.41 0.00 0.00 0.00 175.02 175.66 1p6t n THR 16 N 8.14 0.38 -1.48 2.05 -1.04 -1.26 -4.89 114.28 116.19 1p6t n THR 16 Ca 0.38 0.10 -0.07 0.00 -2.04 0.00 0.00 64.05 62.42 1p6t n THR 16 Cb 0.52 -0.70 -0.02 0.00 -1.82 0.00 0.00 70.33 68.31 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t s ALA 18 N -2.28 -0.89 0.00 0.00 0.00 -1.26 -4.94 121.76 112.39 1p6t s ALA 18 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1p6t s ALA 18 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1p6t s ALA 18 CO 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 175.76 174.61 1p6t n ALA 19 N 5.36 0.00 0.25 0.00 0.00 -1.26 -4.70 120.51 120.16 1p6t n ALA 19 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1p6t n ALA 19 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1p6t n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 21 N -0.35 0.50 -0.94 0.00 0.00 -1.93 -1.72 119.26 114.82 1p6t h ALA 21 Ca -0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1p6t h ALA 21 Cb 0.56 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1p6t h ALA 21 CO 0.10 -0.25 0.62 0.00 0.00 0.00 0.00 179.25 179.72 1p6t h ALA 22 N 1.28 1.34 -0.58 0.00 0.00 -1.85 0.98 119.26 120.43 1p6t h ALA 22 Ca 0.20 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 22 Cb 0.20 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1p6t h ALA 22 CO -0.21 0.60 0.39 0.00 0.00 0.00 0.00 179.25 180.03 1p6t h ARG 23 N 1.26 0.77 -0.10 0.00 2.47 0.17 0.97 114.38 119.92 1p6t h ARG 23 Ca 0.35 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.00 1p6t h ARG 23 Cb -0.12 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.02 1p6t h ARG 23 CO -0.08 0.51 -0.00 0.82 0.56 0.00 0.00 179.97 181.78 1p6t h ILE 24 N 0.79 1.26 -0.13 2.04 2.04 -0.39 0.28 117.51 123.40 1p6t h ILE 24 Ca 0.21 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.29 1p6t h ILE 24 Cb -0.09 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1p6t h ILE 24 CO -0.05 0.23 -0.13 -0.33 0.00 0.00 0.00 178.15 177.88 1p6t h GLU 25 N -0.11 -0.15 -0.62 2.37 5.08 -0.68 0.34 114.58 120.81 1p6t h GLU 25 Ca 0.03 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1p6t h GLU 25 Cb 0.37 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1p6t h GLU 25 CO 0.01 -0.10 0.20 -0.22 -1.00 0.00 0.00 179.01 177.90 1p6t h LYS 26 N -0.15 0.96 -0.99 2.33 3.64 -0.78 0.11 116.57 121.69 1p6t h LYS 26 Ca 0.09 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1p6t h LYS 26 Cb 0.28 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1p6t h LYS 26 CO -0.22 0.84 0.64 0.78 -2.27 0.00 0.00 179.45 179.23 1p6t h GLY 27 N 0.88 1.45 0.98 5.01 0.00 0.03 -2.43 103.07 109.00 1p6t h GLY 27 Ca 0.20 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1p6t h GLY 27 CO -0.01 0.41 -0.23 1.41 0.00 0.00 0.00 176.54 178.12 1p6t h LEU 28 N 1.23 0.77 -2.04 3.11 3.38 0.21 -2.92 115.31 119.05 1p6t h LEU 28 Ca 0.40 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1p6t h LEU 28 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1p6t h LEU 28 CO -0.13 1.04 0.23 0.50 0.09 0.00 0.00 178.44 180.17 1p6t h LYS 29 N 0.50 0.00 -0.14 1.13 1.63 -0.31 0.10 116.57 119.48 1p6t h LYS 29 Ca 0.06 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1p6t h LYS 29 Cb 0.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1p6t h LYS 29 CO 0.06 0.00 0.10 -0.09 -3.45 0.00 0.00 179.45 176.07 1p6t h ARG 30 N 0.00 0.03 -6.89 1.90 9.65 -1.30 -3.43 114.38 114.34 1p6t h ARG 30 Ca 0.00 -0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.41 1p6t h ARG 30 Cb 0.46 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1p6t h ARG 30 CO 0.00 0.02 0.29 -1.64 2.80 0.00 0.00 179.97 181.44 1p6t s MET 31 N -5.08 4.37 0.05 0.20 -1.94 0.35 -5.01 119.30 112.23 1p6t s MET 31 Ca -0.05 1.14 -0.20 0.00 -1.71 0.00 0.00 55.69 54.86 1p6t s MET 31 Cb 0.18 -2.57 -0.13 0.00 2.01 0.00 0.00 34.83 34.31 1p6t s MET 31 CO 0.69 0.18 1.39 -1.00 -0.01 0.00 0.00 175.02 176.27 1p6t h PRO 32 N 2.70 0.34 0.00 2.03 0.13 -1.86 -3.26 132.00 132.08 1p6t h PRO 32 Ca -0.48 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 64.44 1p6t h PRO 32 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1p6t h PRO 32 CO 0.64 0.67 -0.27 0.78 -0.23 0.00 0.00 178.00 179.59 1p6t h GLY 33 N 0.01 0.00 -7.42 1.56 0.00 -1.88 -3.41 103.07 91.92 1p6t h GLY 33 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.89 1p6t h GLY 33 CO 0.03 0.00 1.67 -0.62 0.00 0.00 0.00 176.54 177.61 1p6t n VAL 34 N -3.59 -0.06 -0.05 4.60 0.31 -1.23 -0.75 118.33 117.57 1p6t n VAL 34 Ca -0.01 -0.57 -0.20 0.00 -0.01 0.00 0.00 64.34 63.55 1p6t n VAL 34 Cb 0.40 -2.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.06 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 7.77 1.10 -3.08 2.52 2.02 -1.20 -3.47 112.91 118.58 1p6t h THR 35 Ca -0.19 -2.30 -0.12 0.00 0.77 0.00 0.00 66.41 64.57 1p6t h THR 35 Cb 1.28 2.63 -0.20 0.00 -1.74 0.00 0.00 68.15 70.12 1p6t h THR 35 CO 1.22 0.55 -0.30 -0.62 0.37 0.00 0.00 175.52 176.74 1p6t s ASP 36 N -6.83 -0.18 -0.12 4.18 2.15 -0.12 -5.03 116.67 110.73 1p6t s ASP 36 Ca -0.23 0.08 0.03 0.00 0.43 0.00 0.00 52.55 52.86 1p6t s ASP 36 Cb 0.04 0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 1p6t s ASP 36 CO 0.69 -0.43 -0.22 0.00 -0.17 0.00 0.00 175.17 175.04 1p6t s ALA 37 N -1.27 2.14 0.12 3.66 0.00 -1.26 -0.33 121.76 124.82 1p6t s ALA 37 Ca -0.13 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1p6t s ALA 37 Cb -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1p6t s ALA 37 CO 0.04 0.11 -0.11 -0.80 0.00 0.00 0.00 175.76 175.00 1p6t s ASN 38 N 0.62 1.70 -0.25 0.00 0.02 0.40 -4.99 114.94 112.44 1p6t s ASN 38 Ca -0.12 -0.90 -0.02 0.00 -1.02 0.00 0.00 52.86 50.80 1p6t s ASN 38 Cb -0.17 -0.01 0.13 0.00 0.02 0.00 0.00 41.25 41.22 1p6t s ASN 38 CO 0.03 -0.27 0.36 0.54 0.02 0.00 0.00 177.10 177.78 1p6t s VAL 39 N -2.77 -0.55 -1.40 1.60 0.11 -1.26 -0.57 120.40 115.56 1p6t s VAL 39 Ca 0.11 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 1p6t s VAL 39 Cb -0.01 -0.85 0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1p6t s VAL 39 CO 0.01 -0.20 2.04 0.59 -3.33 0.00 0.00 175.10 174.20 1p6t n ASN 40 N 5.35 4.29 -0.10 3.54 4.13 0.11 -4.69 115.26 127.89 1p6t n ASN 40 Ca -0.03 -2.87 0.24 0.00 1.68 0.00 0.00 54.58 53.60 1p6t n ASN 40 Cb 0.49 -1.69 0.69 0.00 -1.54 0.00 0.00 39.78 37.73 1p6t n ASN 40 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1p6t h LEU 41 N 11.03 0.04 -1.83 3.41 8.10 -1.93 0.14 115.31 134.27 1p6t h LEU 41 Ca 0.52 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.66 1p6t h LEU 41 Cb 0.73 -0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.92 1p6t h LEU 41 CO 1.72 0.02 0.42 0.00 -4.11 0.00 0.00 178.44 176.49 1p6t h ALA 42 N 1.65 2.33 0.00 0.17 0.00 -1.94 -0.74 119.26 120.72 1p6t h ALA 42 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1p6t h ALA 42 Cb 1.31 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1p6t h ALA 42 CO -0.02 -0.49 -0.37 0.25 0.00 0.00 0.00 179.25 178.62 1p6t n THR 43 N -4.42 1.44 -4.18 0.00 -2.24 -0.17 -5.02 114.28 99.68 1p6t n THR 43 Ca 0.11 -2.04 -0.38 0.00 -2.27 0.00 0.00 64.05 59.47 1p6t n THR 43 Cb 0.56 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.85 -0.73 -3.76 -0.78 1.02 0.32 -4.95 120.64 110.90 1p6t n GLU 44 Ca 0.13 0.10 -0.26 0.00 -0.02 0.00 0.00 57.16 57.11 1p6t n GLU 44 Cb 0.73 -3.14 -0.17 0.00 -0.02 0.00 0.00 31.44 28.84 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 -3.96 0.54 -0.08 2.62 2.01 -0.14 -3.85 115.64 112.78 1p6t s THR 45 Ca 0.23 -0.37 -0.22 0.00 0.31 0.00 0.00 61.69 61.65 1p6t s THR 45 Cb -0.13 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1p6t s THR 45 CO 0.98 -0.04 0.65 0.54 -0.69 0.00 0.00 174.62 176.06 1p6t s VAL 46 N 1.87 5.08 -0.25 3.82 0.11 0.73 0.08 120.40 131.83 1p6t s VAL 46 Ca 0.01 1.33 0.02 0.00 -2.93 0.00 0.00 61.98 60.40 1p6t s VAL 46 Cb -0.15 -3.99 0.06 0.00 -1.53 0.00 0.00 36.38 30.77 1p6t s VAL 46 CO -0.07 0.27 -0.06 0.20 -3.33 0.00 0.00 175.10 172.11 1p6t s ASN 47 N 0.73 4.10 -0.14 3.54 -0.87 0.26 -0.61 114.94 121.95 1p6t s ASN 47 Ca 0.35 -1.32 -0.03 0.00 -1.57 0.00 0.00 52.86 50.28 1p6t s ASN 47 Cb -0.17 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.25 39.72 1p6t s ASN 47 CO 0.16 -0.24 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.74 1p6t s VAL 48 N 1.28 3.98 -0.29 1.60 1.01 -0.52 -0.46 120.40 127.00 1p6t s VAL 48 Ca -0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1p6t s VAL 48 Cb -0.19 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1p6t s VAL 48 CO -0.07 0.51 0.04 -0.63 0.00 0.00 0.00 175.10 174.95 1p6t s ILE 49 N 0.15 3.51 0.16 2.22 1.01 0.55 -0.79 121.20 128.01 1p6t s ILE 49 Ca -0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 1p6t s ILE 49 Cb -0.14 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1p6t s ILE 49 CO 0.03 0.04 0.18 -0.72 0.00 0.00 0.00 174.94 174.47 1p6t s TYR 50 N 1.40 0.71 -0.25 3.97 -0.85 -1.00 -0.78 117.35 120.55 1p6t s TYR 50 Ca 0.00 -1.06 -0.29 0.00 -0.52 0.00 0.00 57.07 55.21 1p6t s TYR 50 Cb -0.18 -0.30 -0.00 0.00 0.38 0.00 0.00 41.96 41.87 1p6t s TYR 50 CO 0.00 -0.65 1.25 0.34 -1.52 0.00 0.00 175.55 174.97 1p6t s ASP 51 N -3.04 6.82 -0.02 -0.18 -1.08 0.07 -1.40 116.67 117.85 1p6t s ASP 51 Ca 0.24 1.37 -0.00 0.00 -0.52 0.00 0.00 52.55 53.64 1p6t s ASP 51 Cb 0.05 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.99 1p6t s ASP 51 CO 0.03 -0.92 1.80 -0.81 0.52 0.00 0.00 175.17 175.79 1p6t n PRO 52 N 6.96 1.05 -0.81 4.34 -0.04 -1.26 -3.33 135.00 141.91 1p6t n PRO 52 Ca 0.14 -0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1p6t n PRO 52 Cb 0.46 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.22 2.74 0.00 0.55 0.00 -1.26 -4.91 120.51 118.84 1p6t n ALA 53 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1p6t n ALA 53 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.21 -5.06 120.64 115.39 1p6t n GLU 54 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1p6t n GLU 54 Cb 0.59 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 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 -2.23 0.00 0.00 2.62 -1.04 -1.25 -4.83 114.28 107.55 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 0.02 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 3.17 3.56 0.32 3.41 0.00 -1.26 -4.74 105.19 109.65 1p6t n GLY 56 Ca 0.00 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 0.33 -0.39 -0.35 2.61 5.66 -1.26 -0.03 114.28 120.84 1p6t n THR 57 Ca 0.00 2.03 0.03 0.00 -3.05 0.00 0.00 64.05 63.06 1p6t n THR 57 Cb 0.00 -3.00 0.18 0.00 -1.55 0.00 0.00 70.33 65.96 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 1.86 1.35 -0.09 1.79 0.00 -1.92 0.16 119.26 122.42 1p6t h ALA 58 Ca 0.59 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 1p6t h ALA 58 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1p6t h ALA 58 CO -0.86 0.33 -0.37 0.00 0.00 0.00 0.00 179.25 178.35 1p6t h ALA 59 N 1.46 1.22 0.00 0.00 0.00 -0.74 0.14 119.26 121.34 1p6t h ALA 59 Ca 0.43 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p6t h ALA 59 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1p6t h ALA 59 CO -0.20 0.54 -0.00 0.82 0.00 0.00 0.00 179.25 180.40 1p6t h ILE 60 N 0.15 1.24 -0.85 0.00 1.08 -0.82 0.41 117.51 118.72 1p6t h ILE 60 Ca 0.02 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 1p6t h ILE 60 Cb 0.73 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 36.17 1p6t h ILE 60 CO 0.05 0.19 0.43 0.06 -0.69 0.00 0.00 178.15 178.19 1p6t h GLN 61 N -0.30 1.22 -0.95 2.37 3.07 -1.10 -1.92 115.11 117.50 1p6t h GLN 61 Ca -0.00 -0.17 0.10 0.00 0.09 0.00 0.00 58.65 58.68 1p6t h GLN 61 Cb 0.30 -0.23 -0.08 0.00 0.08 0.00 0.00 27.48 27.56 1p6t h GLN 61 CO 0.00 0.92 0.59 1.49 0.09 0.00 0.00 178.83 181.92 1p6t h GLU 62 N 1.21 0.94 -0.16 0.06 4.81 -0.43 -0.10 114.58 120.91 1p6t h GLU 62 Ca 0.30 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1p6t h GLU 62 Cb 0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1p6t h GLU 62 CO -0.04 0.62 0.09 0.87 -0.73 0.00 0.00 179.01 179.82 1p6t h LYS 63 N 0.97 0.21 -0.64 1.92 1.79 -0.16 0.16 116.57 120.81 1p6t h LYS 63 Ca 0.46 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 59.00 1p6t h LYS 63 Cb 0.40 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 1p6t h LYS 63 CO -0.24 0.19 0.26 0.82 -1.08 0.00 0.00 179.45 179.40 1p6t h ILE 64 N 0.17 0.79 0.27 1.86 2.04 -0.67 0.81 117.51 122.78 1p6t h ILE 64 Ca 0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1p6t h ILE 64 Cb 0.04 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1p6t h ILE 64 CO -0.01 0.08 -0.13 -0.33 0.00 0.00 0.00 178.15 177.76 1p6t h GLU 65 N 0.46 -0.35 -0.92 2.37 5.08 -0.64 -2.12 114.58 118.46 1p6t h GLU 65 Ca 0.32 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.81 1p6t h GLU 65 Cb 0.38 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 1p6t h GLU 65 CO -0.30 -0.16 0.56 0.87 -1.00 0.00 0.00 179.01 178.98 1p6t h LYS 66 N -0.46 0.90 -0.01 2.33 1.57 -0.28 0.23 116.57 120.84 1p6t h LYS 66 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1p6t h LYS 66 Cb 0.35 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1p6t h LYS 66 CO 0.06 0.59 0.04 -0.07 -0.57 0.00 0.00 179.45 179.51 1p6t h LEU 67 N 0.92 0.00 -0.02 2.94 -0.00 -0.72 -3.46 115.31 114.97 1p6t h LEU 67 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.33 1p6t h LEU 67 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1p6t h LEU 67 CO -0.25 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.80 1p6t n GLY 68 N -1.15 1.16 3.53 0.83 0.00 0.80 -5.09 105.19 105.26 1p6t n GLY 68 Ca -0.03 -0.02 -0.25 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 -2.02 1.88 0.02 1.61 1.51 -0.81 -5.01 117.35 114.51 1p6t s TYR 69 Ca 0.00 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 1p6t s TYR 69 Cb 0.00 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1p6t s TYR 69 CO 0.00 -0.10 -0.05 -1.01 -1.11 0.00 0.00 175.55 173.28 1p6t s HIS 70 N -3.18 0.46 0.11 2.71 3.76 -1.25 -4.07 115.29 113.83 1p6t s HIS 70 Ca 0.26 -0.27 -0.14 0.00 -0.15 0.00 0.00 55.06 54.76 1p6t s HIS 70 Cb 0.05 -0.29 -0.07 0.00 1.11 0.00 0.00 32.58 33.38 1p6t s HIS 70 CO 0.13 -0.05 0.50 0.14 -0.85 0.00 0.00 174.74 174.62 1p6t s VAL 71 N -0.68 4.91 -1.37 -0.90 -7.23 -1.26 -0.59 120.40 113.27 1p6t s VAL 71 Ca -0.04 0.79 -0.14 0.00 -1.81 0.00 0.00 61.98 60.78 1p6t s VAL 71 Cb -0.05 -3.73 0.08 0.00 0.56 0.00 0.00 36.38 33.24 1p6t s VAL 71 CO -0.00 0.32 2.00 0.52 -0.31 0.00 0.00 175.10 177.63 1p6t n VAL 72 N 1.03 3.80 -3.75 1.32 0.31 -0.03 -4.87 118.33 116.14 1p6t n VAL 72 Ca -0.07 -3.65 -0.13 0.00 -0.01 0.00 0.00 64.34 60.47 1p6t n VAL 72 Cb 0.52 -2.49 -0.14 0.00 -0.91 0.00 0.00 33.84 30.81 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 2.72 -0.05 -0.06 2.52 2.01 -1.26 -4.38 115.64 117.14 1p6t s THR 73 Ca 0.47 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.69 1p6t s THR 73 Cb 0.10 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 1p6t s THR 73 CO -0.03 0.07 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.17 1p6t s GLU 74 N 1.18 2.54 -1.07 4.92 0.41 -1.23 -4.93 118.70 120.53 1p6t s GLU 74 Ca -0.09 -0.80 -0.20 0.00 -0.41 0.00 0.00 54.97 53.47 1p6t s GLU 74 Cb -0.11 -2.28 0.09 0.00 -1.78 0.00 0.00 34.13 30.05 1p6t s GLU 74 CO -0.06 0.49 1.41 -1.59 -0.49 0.00 0.00 175.26 175.02 1p6t s LYS 75 N -0.41 3.73 -0.07 1.61 -2.85 -1.26 -3.44 119.74 117.05 1p6t s LYS 75 Ca 0.04 -1.64 -0.24 0.00 -1.00 0.00 0.00 55.97 53.13 1p6t s LYS 75 Cb -0.12 -5.23 -0.03 0.00 -2.06 0.00 0.00 37.83 30.38 1p6t s LYS 75 CO 0.02 -2.04 0.74 0.00 0.10 0.00 0.00 175.35 174.17 1p6t s ALA 76 N 3.78 3.33 -0.23 0.59 0.00 0.29 -4.84 121.76 124.69 1p6t s ALA 76 Ca 0.43 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 1p6t s ALA 76 Cb -0.01 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 1p6t s ALA 76 CO -0.05 -0.17 0.87 -1.21 0.00 0.00 0.00 175.76 175.19 1p6t s GLU 77 N 0.96 4.21 0.04 0.00 2.02 -1.26 -0.40 118.70 124.26 1p6t s GLU 77 Ca 0.39 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.44 1p6t s GLU 77 Cb -0.18 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1p6t s GLU 77 CO 0.19 -0.52 -0.02 -0.06 0.02 0.00 0.00 175.26 174.86 1p6t s PHE 78 N 2.85 2.98 -0.02 1.61 0.40 0.43 -2.04 117.98 124.19 1p6t s PHE 78 Ca 0.37 -0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1p6t s PHE 78 Cb -0.15 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1p6t s PHE 78 CO 0.07 0.44 0.10 0.34 0.70 0.00 0.00 175.22 176.87 1p6t s ASP 79 N -1.83 5.81 -0.08 1.36 -1.08 0.49 -0.50 116.67 120.84 1p6t s ASP 79 Ca 0.21 0.20 0.03 0.00 -0.52 0.00 0.00 52.55 52.47 1p6t s ASP 79 Cb -0.11 -1.71 0.01 0.00 -1.46 0.00 0.00 42.92 39.64 1p6t s ASP 79 CO 0.13 0.29 -0.17 -0.63 0.52 0.00 0.00 175.17 175.30 1p6t s ILE 80 N -1.18 1.53 -0.08 4.11 1.01 -0.33 -0.12 121.20 126.15 1p6t s ILE 80 Ca 0.22 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1p6t s ILE 80 Cb -0.12 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1p6t s ILE 80 CO 0.13 0.44 -0.24 -1.61 0.00 0.00 0.00 174.94 173.67 1p6t s GLU 81 N 0.53 2.69 0.00 2.79 2.02 -0.62 -4.79 118.70 121.31 1p6t s GLU 81 Ca -0.16 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1p6t s GLU 81 Cb -0.17 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1p6t s GLU 81 CO 0.06 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.02 1p6t n GLY 82 N 3.24 1.01 3.31 -1.39 0.00 -1.26 -1.28 105.19 108.81 1p6t n GLY 82 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 0.02 -0.88 1.61 2.81 -1.26 -4.78 117.12 114.64 1p6t n MET 83 Ca 0.00 -0.72 -0.13 0.00 -1.81 0.00 0.00 57.70 55.04 1p6t n MET 83 Cb 0.00 -2.15 -0.13 0.00 -0.71 0.00 0.00 33.22 30.23 1p6t n MET 83 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1p6t n THR 84 N 6.09 2.69 -1.34 2.03 5.66 -1.26 -4.93 114.28 123.21 1p6t n THR 84 Ca 0.26 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 59.88 1p6t n THR 84 Cb 0.39 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 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 10.35 0.00 0.00 0.00 0.00 -1.26 -1.88 120.51 127.72 1p6t n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.86 0.00 -0.06 0.00 0.00 -1.26 -5.06 120.51 115.00 1p6t n ALA 87 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1p6t n ALA 87 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.69 0.63 -0.48 0.00 0.00 -1.94 0.57 119.26 118.74 1p6t h ALA 89 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 89 Cb 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1p6t h ALA 89 CO 0.02 -0.16 0.31 -0.91 0.00 0.00 0.00 179.25 178.51 1p6t h ASN 90 N 0.42 0.55 -0.03 0.00 2.35 -1.85 0.33 115.58 117.35 1p6t h ASN 90 Ca 0.23 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1p6t h ASN 90 Cb 0.21 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1p6t h ASN 90 CO -0.21 0.41 -0.16 0.03 -1.65 0.00 0.00 177.43 175.85 1p6t h ARG 91 N 0.65 -0.25 -1.00 0.81 3.08 -0.33 0.16 114.38 117.51 1p6t h ARG 91 Ca 0.17 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.30 1p6t h ARG 91 Cb -0.06 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1p6t h ARG 91 CO -0.04 -0.16 0.64 0.82 -1.07 0.00 0.00 179.97 180.16 1p6t h ILE 92 N -0.25 1.09 0.53 2.04 2.04 -0.25 -0.30 117.51 122.41 1p6t h ILE 92 Ca 0.06 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1p6t h ILE 92 Cb 0.34 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1p6t h ILE 92 CO -0.18 0.21 -0.26 -0.08 0.00 0.00 0.00 178.15 177.85 1p6t h GLU 93 N 1.17 -0.70 -0.95 2.37 4.81 0.01 0.48 114.58 121.78 1p6t h GLU 93 Ca 0.43 0.05 0.23 0.00 -0.13 0.00 0.00 59.36 59.93 1p6t h GLU 93 Cb 0.16 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1p6t h GLU 93 CO -0.17 -0.46 0.63 0.87 -0.73 0.00 0.00 179.01 179.14 1p6t h LYS 94 N -0.72 0.37 0.00 1.92 1.79 -0.63 0.22 116.57 119.52 1p6t h LYS 94 Ca -0.07 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1p6t h LYS 94 Cb 0.56 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1p6t h LYS 94 CO 0.12 0.25 0.00 0.54 -1.08 0.00 0.00 179.45 179.27 1p6t n ARG 95 N -4.52 0.00 -0.32 3.15 5.12 -0.15 -4.14 116.66 115.79 1p6t n ARG 95 Ca 0.21 0.48 0.15 0.00 -1.93 0.00 0.00 57.85 56.76 1p6t n ARG 95 Cb 0.77 -1.26 0.33 0.00 -1.16 0.00 0.00 32.46 31.15 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 0.47 -0.50 0.55 3.38 -0.05 -2.23 115.31 116.94 1p6t h LEU 96 Ca 0.00 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1p6t h LEU 96 Cb 0.00 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 1p6t h LEU 96 CO 0.00 0.05 -0.12 -3.20 0.09 0.00 0.00 178.44 175.25 1p6t n ASN 97 N -4.98 -0.18 -2.79 -0.43 2.85 0.70 -3.23 115.26 107.20 1p6t n ASN 97 Ca 0.24 0.86 -0.06 0.00 -0.11 0.00 0.00 54.58 55.50 1p6t n ASN 97 Cb 0.68 -0.26 0.02 0.00 1.24 0.00 0.00 39.78 41.46 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 -4.81 0.61 0.00 1.20 0.00 -0.85 -4.14 118.16 110.17 1p6t n LYS 98 Ca 0.08 -2.00 0.00 0.00 -0.00 0.00 0.00 58.31 56.39 1p6t n LYS 98 Cb 0.25 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 1p6t n LYS 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1p6t n ILE 99 N 2.49 0.00 0.00 0.58 5.41 -1.12 -4.98 119.36 121.74 1p6t n ILE 99 Ca 0.16 0.63 0.00 0.00 1.00 0.00 0.00 62.75 64.54 1p6t n ILE 99 Cb 0.58 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 1p6t n ILE 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p6t n GLU 100 N -1.07 0.00 -1.87 0.38 1.02 -1.26 -4.95 120.64 112.90 1p6t n GLU 100 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1p6t n GLU 100 Cb 0.00 0.00 -0.02 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 4.94 5.04 3.52 0.62 0.00 -1.25 -4.56 105.19 113.49 1p6t n GLY 101 Ca 0.00 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.54 4.43 -0.08 1.61 1.01 -1.26 -0.66 120.40 122.91 1p6t s VAL 102 Ca 0.54 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 1p6t s VAL 102 Cb 0.30 -3.03 -0.18 0.00 0.00 0.00 0.00 36.38 33.48 1p6t s VAL 102 CO -0.19 0.41 0.78 0.00 0.00 0.00 0.00 175.10 176.09 1p6t h ALA 103 N 7.44 -0.10 -2.78 5.51 0.00 -0.78 -3.42 119.26 125.13 1p6t h ALA 103 Ca -0.36 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1p6t h ALA 103 Cb 1.18 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1p6t h ALA 103 CO 0.63 -0.16 -0.12 -0.80 0.00 0.00 0.00 179.25 178.79 1p6t s ASN 104 N -5.74 -0.11 -0.45 0.00 0.01 -0.76 -4.73 114.94 103.16 1p6t s ASN 104 Ca -0.13 -0.72 0.07 0.00 -0.71 0.00 0.00 52.86 51.36 1p6t s ASN 104 Cb -0.01 0.53 0.32 0.00 0.41 0.00 0.00 41.25 42.51 1p6t s ASN 104 CO 0.51 -1.02 1.04 0.00 -1.51 0.00 0.00 177.10 176.12 1p6t n ALA 105 N -0.31 -0.39 -1.86 0.60 0.00 -1.26 -0.75 120.51 116.54 1p6t n ALA 105 Ca -0.07 -1.75 -0.41 0.00 0.00 0.00 0.00 53.44 51.21 1p6t n ALA 105 Cb 0.62 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.11 4.39 0.04 0.00 0.04 -1.14 -4.68 135.00 133.55 1p6t s PRO 106 Ca 0.25 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1p6t s PRO 106 Cb 0.29 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1p6t s PRO 106 CO -0.07 -0.19 -0.18 0.08 0.04 0.00 0.00 177.00 176.69 1p6t s VAL 107 N -0.58 2.79 0.02 -0.36 1.01 -1.26 -1.39 120.40 120.63 1p6t s VAL 107 Ca 0.52 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1p6t s VAL 107 Cb -0.38 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1p6t s VAL 107 CO 0.45 0.34 -0.09 0.20 0.00 0.00 0.00 175.10 176.00 1p6t s ASN 108 N -1.43 4.45 0.00 3.32 -0.87 0.28 -5.00 114.94 115.69 1p6t s ASN 108 Ca 0.15 -0.22 0.22 0.00 -1.57 0.00 0.00 52.86 51.44 1p6t s ASN 108 Cb -0.10 -0.97 0.56 0.00 -0.02 0.00 0.00 41.25 40.71 1p6t s ASN 108 CO 0.05 0.27 1.48 0.33 -2.57 0.00 0.00 177.10 176.66 1p6t n PHE 109 N 1.49 0.75 -0.07 2.20 7.35 -1.26 -3.11 117.46 124.81 1p6t n PHE 109 Ca -0.15 -0.38 -0.13 0.00 -0.76 0.00 0.00 57.45 56.03 1p6t n PHE 109 Cb 0.52 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.30 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p6t n ALA 110 N 1.48 2.04 0.09 3.13 0.00 -1.26 -4.62 120.51 121.38 1p6t n ALA 110 Ca 0.22 -0.53 0.10 0.00 0.00 0.00 0.00 53.44 53.23 1p6t n ALA 110 Cb 0.59 0.30 -0.01 0.00 0.00 0.00 0.00 19.45 20.33 1p6t n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1p6t h LEU 111 N -0.36 0.00 -2.24 0.00 3.38 -2.02 -3.48 115.31 110.59 1p6t h LEU 111 Ca -0.32 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.41 1p6t h LEU 111 Cb 1.33 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.24 1p6t h LEU 111 CO -0.16 0.10 -0.70 -0.62 0.09 0.00 0.00 178.44 177.15 1p6t n GLU 112 N -2.72 -3.20 -4.06 1.13 1.02 -1.19 -4.91 120.64 106.71 1p6t n GLU 112 Ca -0.02 0.72 -0.13 0.00 -0.02 0.00 0.00 57.16 57.72 1p6t n GLU 112 Cb 0.60 -5.21 -0.11 0.00 -0.02 0.00 0.00 31.44 26.69 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 -3.32 0.51 -0.11 2.62 -4.23 -1.18 -1.18 115.64 108.76 1p6t s THR 113 Ca 0.25 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1p6t s THR 113 Cb -0.03 -0.61 0.01 0.00 1.34 0.00 0.00 72.50 73.21 1p6t s THR 113 CO 0.62 -0.40 -0.20 0.54 -0.54 0.00 0.00 174.62 174.64 1p6t s VAL 114 N -1.43 1.80 -0.22 2.29 0.11 0.34 -0.56 120.40 122.74 1p6t s VAL 114 Ca -0.10 -0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 57.84 1p6t s VAL 114 Cb -0.10 -1.59 -0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1p6t s VAL 114 CO 0.00 0.50 0.91 -0.89 -3.33 0.00 0.00 175.10 172.29 1p6t s THR 115 N 0.65 4.79 -0.31 5.04 2.01 -0.48 -0.43 115.64 126.91 1p6t s THR 115 Ca -0.13 1.75 -0.09 0.00 0.31 0.00 0.00 61.69 63.54 1p6t s THR 115 Cb -0.16 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 1p6t s THR 115 CO 0.03 -0.09 0.14 0.54 -0.69 0.00 0.00 174.62 174.55 1p6t s VAL 116 N 2.84 4.49 -0.73 3.82 0.11 0.46 -2.89 120.40 128.51 1p6t s VAL 116 Ca 0.39 -0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 58.84 1p6t s VAL 116 Cb -0.15 -3.29 0.19 0.00 -1.53 0.00 0.00 36.38 31.59 1p6t s VAL 116 CO 0.08 0.07 0.66 -1.61 -3.33 0.00 0.00 175.10 170.97 1p6t s GLU 117 N 1.59 3.31 0.04 1.54 2.02 0.07 -0.54 118.70 126.73 1p6t s GLU 117 Ca 0.04 -2.28 -0.00 0.00 0.02 0.00 0.00 54.97 52.75 1p6t s GLU 117 Cb -0.17 -4.30 -0.03 0.00 0.10 0.00 0.00 34.13 29.72 1p6t s GLU 117 CO 0.06 -1.28 -0.03 1.52 0.02 0.00 0.00 175.26 175.54 1p6t s TYR 118 N 0.49 0.44 -0.28 1.61 1.13 -1.22 -0.16 117.35 119.36 1p6t s TYR 118 Ca 0.14 -0.86 -0.29 0.00 -1.41 0.00 0.00 57.07 54.65 1p6t s TYR 118 Cb -0.16 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 1p6t s TYR 118 CO -0.05 -0.30 1.53 1.21 -2.51 0.00 0.00 175.55 175.43 1p6t s ASN 119 N -2.38 6.38 0.00 -0.18 2.47 0.16 -3.49 114.94 117.91 1p6t s ASN 119 Ca -0.01 1.36 0.00 0.00 0.42 0.00 0.00 52.86 54.63 1p6t s ASN 119 Cb 0.01 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1p6t s ASN 119 CO -0.06 -1.30 0.58 -0.81 -3.72 0.00 0.00 177.10 171.79 1p6t n PRO 120 N 7.74 0.89 -0.09 0.43 -0.04 -1.26 -2.82 135.00 139.85 1p6t n PRO 120 Ca 0.18 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 1p6t n PRO 120 Cb 0.46 -1.32 -0.05 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 -0.11 0.46 -0.01 0.54 4.76 -1.26 -4.70 118.16 117.84 1p6t n LYS 121 Ca 0.00 0.19 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1p6t n LYS 121 Cb 0.16 -1.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 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 -0.83 -0.21 0.00 1.97 3.07 -1.94 -3.44 114.58 113.19 1p6t h GLU 122 Ca -0.23 0.01 -0.44 0.00 -0.50 0.00 0.00 59.36 58.21 1p6t h GLU 122 Cb 1.10 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.98 1p6t h GLU 122 CO -0.14 -0.14 -0.32 0.00 -1.40 0.00 0.00 179.01 177.00 1p6t n ALA 123 N -2.64 0.30 -3.57 3.43 0.00 -1.13 -5.04 120.51 111.86 1p6t n ALA 123 Ca -0.02 -1.52 -0.08 0.00 0.00 0.00 0.00 53.44 51.81 1p6t n ALA 123 Cb 0.24 0.85 -0.03 0.00 0.00 0.00 0.00 19.45 20.52 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1p6t s SER 124 N -2.85 -0.10 0.22 0.00 1.04 -1.26 -4.30 113.70 106.45 1p6t s SER 124 Ca 0.02 -0.84 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 1p6t s SER 124 Cb 0.00 0.70 0.44 0.00 0.10 0.00 0.00 66.02 67.25 1p6t s SER 124 CO 0.01 -1.32 1.20 0.52 0.98 0.00 0.00 173.24 174.63 1p6t n VAL 125 N -0.45 -0.32 -0.19 5.02 0.31 -1.26 -0.39 118.33 121.04 1p6t n VAL 125 Ca -0.04 1.74 0.00 0.00 -0.01 0.00 0.00 64.34 66.03 1p6t n VAL 125 Cb 0.60 -2.45 0.09 0.00 -0.91 0.00 0.00 33.84 31.17 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 -0.26 -0.22 4.52 0.02 -1.98 0.15 113.55 115.78 1p6t h SER 126 Ca 0.40 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.51 1p6t h SER 126 Cb 0.70 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1p6t h SER 126 CO -0.77 -0.10 0.10 -0.78 -1.14 0.00 0.00 176.83 174.14 1p6t h ASP 127 N 0.12 0.15 -0.38 3.07 3.58 -1.12 0.06 116.42 121.90 1p6t h ASP 127 Ca 0.30 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 1p6t h ASP 127 Cb 0.48 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1p6t h ASP 127 CO -0.50 0.12 0.22 -0.07 -2.88 0.00 0.00 179.24 176.13 1p6t h LEU 128 N 0.22 0.46 0.07 2.28 3.38 -1.11 0.25 115.31 120.85 1p6t h LEU 128 Ca 0.09 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1p6t h LEU 128 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1p6t h LEU 128 CO -0.06 0.38 -0.16 0.11 0.09 0.00 0.00 178.44 178.80 1p6t h LYS 129 N 0.49 -0.28 -0.90 1.13 1.79 -0.53 -0.63 116.57 117.64 1p6t h LYS 129 Ca 0.14 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1p6t h LYS 129 Cb 0.01 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 1p6t h LYS 129 CO -0.02 -0.19 0.54 1.49 -1.08 0.00 0.00 179.45 180.19 1p6t h GLU 130 N -0.29 1.22 0.43 3.15 4.22 -0.44 0.15 114.58 123.02 1p6t h GLU 130 Ca 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1p6t h GLU 130 Cb 0.32 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1p6t h GLU 130 CO -0.10 0.86 -0.29 0.00 -2.18 0.00 0.00 179.01 177.30 1p6t h ALA 131 N 1.30 -0.70 -0.06 2.92 0.00 -0.30 -0.93 119.26 121.49 1p6t h ALA 131 Ca 0.32 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 131 Cb -0.05 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1p6t h ALA 131 CO -0.06 -0.91 -0.28 0.28 0.00 0.00 0.00 179.25 178.28 1p6t h VAL 132 N -0.70 1.22 -0.02 0.00 2.07 -0.61 -0.37 116.25 117.85 1p6t h VAL 132 Ca -0.04 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1p6t h VAL 132 Cb 0.59 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1p6t h VAL 132 CO 0.03 0.31 -0.21 -0.78 0.02 0.00 0.00 177.57 176.94 1p6t h ASP 133 N 0.09 -0.62 -0.88 0.57 1.82 -0.40 0.84 116.42 117.84 1p6t h ASP 133 Ca 0.01 0.09 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1p6t h ASP 133 Cb 0.54 0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.75 1p6t h ASP 133 CO 0.04 -0.27 0.55 0.11 -1.61 0.00 0.00 179.24 178.06 1p6t h LYS 134 N -0.32 0.99 0.00 0.28 1.57 -0.41 0.40 116.57 119.08 1p6t h LYS 134 Ca 0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1p6t h LYS 134 Cb 0.41 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1p6t h LYS 134 CO -0.21 0.66 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.19 1p6t h LEU 135 N 1.02 0.00 -0.18 2.94 -0.00 -0.39 -3.47 115.31 115.23 1p6t h LEU 135 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1p6t h LEU 135 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1p6t h LEU 135 CO -0.16 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 178.96 1p6t n GLY 136 N -1.22 1.11 2.43 0.83 0.00 0.22 -5.09 105.19 103.48 1p6t n GLY 136 Ca -0.03 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.77 -0.07 -5.26 1.61 4.01 -0.89 -5.01 117.16 110.78 1p6t n TYR 137 Ca 0.00 -1.96 -0.31 0.00 -0.16 0.00 0.00 57.90 55.47 1p6t n TYR 137 Cb 0.11 0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 39.03 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 -3.10 2.55 -0.19 -0.72 -2.85 -0.40 -3.85 119.74 111.18 1p6t s LYS 138 Ca 0.19 -0.90 -0.08 0.00 -1.00 0.00 0.00 55.97 54.18 1p6t s LYS 138 Cb 0.01 -2.16 -0.04 0.00 -2.06 0.00 0.00 37.83 33.58 1p6t s LYS 138 CO 0.13 0.38 0.07 -1.17 0.10 0.00 0.00 175.35 174.86 1p6t s LEU 139 N -0.16 3.80 0.43 2.77 2.96 -1.26 -1.60 118.68 125.63 1p6t s LEU 139 Ca -0.04 0.06 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1p6t s LEU 139 Cb -0.14 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 1p6t s LEU 139 CO 0.04 0.15 0.03 -0.54 -1.32 0.00 0.00 176.35 174.71 1p6t s LYS 140 N 0.49 2.04 0.26 1.98 -0.14 0.83 -4.95 119.74 120.25 1p6t s LYS 140 Ca 0.03 -2.14 0.09 0.00 -1.36 0.00 0.00 55.97 52.59 1p6t s LYS 140 Cb -0.13 -1.66 -0.04 0.00 -1.68 0.00 0.00 37.83 34.32 1p6t s LYS 140 CO 0.01 -0.13 0.06 -0.51 -0.76 0.00 0.00 175.35 174.01 1p6t s LEU 141 N -3.77 3.39 -1.29 3.17 2.01 -1.26 -0.38 118.68 120.54 1p6t s LEU 141 Ca 0.30 -0.52 -0.17 0.00 0.01 0.00 0.00 54.13 53.74 1p6t s LEU 141 Cb 0.07 -1.91 0.01 0.00 0.01 0.00 0.00 46.19 44.37 1p6t s LEU 141 CO 0.15 -0.01 1.98 1.17 1.01 0.00 0.00 176.35 180.66 1p6t n LYS 142 N -0.97 2.69 0.00 1.70 3.00 -0.86 -4.40 118.16 119.31 1p6t n LYS 142 Ca -0.07 -2.74 0.00 0.00 -0.00 0.00 0.00 58.31 55.50 1p6t n LYS 142 Cb 0.59 -3.37 0.00 0.00 0.00 0.00 0.00 35.03 32.25 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p6t n GLY 143 N 4.79 1.21 3.81 3.14 0.00 -1.26 -4.11 105.19 112.78 1p6t n GLY 143 Ca 0.50 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.74 0.04 1.61 2.13 -1.26 -4.60 120.64 113.82 1p6t n GLU 144 Ca 0.00 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1p6t n GLU 144 Cb 0.00 -5.14 0.00 0.00 0.27 0.00 0.00 31.44 26.57 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 -4.40 0.00 0.00 5.31 1.13 -1.26 -4.90 117.38 113.26 1p6t n GLN 145 Ca -0.21 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.87 1p6t n GLN 145 Cb 0.64 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.98 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 -2.60 0.67 -1.23 1.08 8.00 -1.26 -4.65 116.55 116.55 1p6t n ASP 146 Ca 0.00 -0.84 -0.04 0.00 0.71 0.00 0.00 54.79 54.63 1p6t n ASP 146 Cb 0.00 0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 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 -0.51 -0.40 -0.09 -2.24 3.41 -1.26 -5.00 113.62 107.53 1p6t n SER 147 Ca 0.01 -2.01 -0.05 0.00 -0.26 0.00 0.00 58.87 56.57 1p6t n SER 147 Cb 0.07 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1p6t n SER 147 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1p6t h ILE 148 N 5.56 0.00 -1.04 -1.33 2.04 -1.83 -3.42 117.51 117.49 1p6t h ILE 148 Ca -0.46 0.00 0.38 0.00 1.00 0.00 0.00 64.86 65.78 1p6t h ILE 148 Cb 1.55 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.47 1p6t h ILE 148 CO -0.17 0.00 0.99 -1.61 0.00 0.00 0.00 178.15 177.36 1p6t s GLU 149 N -3.92 0.03 -0.79 2.37 0.41 -1.26 -4.73 118.70 110.81 1p6t s GLU 149 Ca -0.05 -0.02 -0.20 0.00 -0.41 0.00 0.00 54.97 54.30 1p6t s GLU 149 Cb 0.03 0.01 0.11 0.00 -1.78 0.00 0.00 34.13 32.50 1p6t s GLU 149 CO 0.22 -0.01 1.01 0.20 -0.49 0.00 0.00 175.26 176.19 1p6t s GLY 150 N -2.74 1.74 0.00 -1.39 0.00 -1.26 -5.16 107.32 98.50 1p6t s GLY 150 Ca 0.14 -2.40 0.12 0.00 0.00 0.00 0.00 44.72 42.58 1p6t s GLY 150 CO -0.06 1.96 1.14 -2.13 0.00 0.00 0.00 173.10 174.02