#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 0.00 4.03 7.94 -1.26 -5.08 117.00 122.62 1p6t n LEU 2 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 1p6t n LEU 2 Cb 0.00 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.09 1p6t n LEU 2 CO 0.00 0.00 0.23 -1.54 -1.11 0.00 0.00 177.39 174.97 1p6t n SER 3 N 0.00 -2.46 -0.58 1.96 3.41 -1.26 -4.46 113.62 110.24 1p6t n SER 3 Ca 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1p6t n SER 3 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1p6t n GLU 4 N -3.60 0.00 -1.66 4.33 4.07 -1.26 -4.96 120.64 117.55 1p6t n GLU 4 Ca 0.07 0.33 -0.44 0.00 -0.06 0.00 0.00 57.16 57.06 1p6t n GLU 4 Cb 0.30 -0.25 -0.04 0.00 -0.06 0.00 0.00 31.44 31.39 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1p6t n GLN 5 N 1.02 2.60 -2.07 5.31 1.13 -1.26 -4.70 117.38 119.40 1p6t n GLN 5 Ca 0.00 0.95 -0.30 0.00 -1.94 0.00 0.00 57.00 55.71 1p6t n GLN 5 Cb 0.00 -2.90 0.01 0.00 0.11 0.00 0.00 30.24 27.46 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 4.44 3.49 0.07 -1.09 -2.85 -0.44 -4.84 119.74 118.52 1p6t s LYS 6 Ca 0.91 0.57 0.04 0.00 -1.00 0.00 0.00 55.97 56.49 1p6t s LYS 6 Cb -0.52 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.06 1p6t s LYS 6 CO 0.45 -0.53 -0.00 -2.00 0.10 0.00 0.00 175.35 173.37 1p6t s GLU 7 N -5.09 2.59 -0.25 1.78 -6.30 -1.26 -1.95 118.70 108.22 1p6t s GLU 7 Ca 0.53 -0.79 -0.03 0.00 -2.50 0.00 0.00 54.97 52.19 1p6t s GLU 7 Cb -0.11 -2.56 0.08 0.00 0.00 0.00 0.00 34.13 31.54 1p6t s GLU 7 CO 0.51 0.56 0.08 -1.50 0.02 0.00 0.00 175.26 174.93 1p6t s ILE 8 N -1.25 0.46 -0.21 -3.70 2.07 -0.44 -4.98 121.20 113.15 1p6t s ILE 8 Ca 0.24 -0.83 -0.20 0.00 -1.41 0.00 0.00 60.65 58.45 1p6t s ILE 8 Cb -0.12 -1.18 -0.02 0.00 0.13 0.00 0.00 42.46 41.27 1p6t s ILE 8 CO 0.16 -0.47 0.61 0.00 -1.91 0.00 0.00 174.94 173.33 1p6t s ALA 9 N 1.86 3.56 0.14 1.50 0.00 -1.26 -2.02 121.76 125.53 1p6t s ALA 9 Ca 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 1p6t s ALA 9 Cb -0.17 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1p6t s ALA 9 CO -0.20 -0.60 0.24 -1.64 0.00 0.00 0.00 175.76 173.57 1p6t s MET 10 N 2.00 1.03 0.09 0.00 1.00 0.33 -3.60 119.30 120.16 1p6t s MET 10 Ca 0.27 -1.10 -0.14 0.00 0.00 0.00 0.00 55.69 54.73 1p6t s MET 10 Cb -0.16 0.36 -0.06 0.00 0.00 0.00 0.00 34.83 34.97 1p6t s MET 10 CO 0.10 -0.36 0.48 -0.65 0.00 0.00 0.00 175.02 174.59 1p6t s GLN 11 N -3.93 3.93 -0.00 2.03 -0.21 -1.26 -0.16 119.66 120.06 1p6t s GLN 11 Ca 0.13 0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.92 1p6t s GLN 11 Cb 0.04 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 31.01 1p6t s GLN 11 CO -0.04 0.56 -0.00 0.54 -2.12 0.00 0.00 175.29 174.23 1p6t s VAL 12 N -1.33 0.01 0.25 1.09 0.11 -1.26 -0.86 120.40 118.42 1p6t s VAL 12 Ca 0.32 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.44 1p6t s VAL 12 Cb -0.16 -0.02 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1p6t s VAL 12 CO 0.18 0.01 0.29 -0.44 -3.33 0.00 0.00 175.10 171.80 1p6t s SER 13 N 0.04 5.91 0.00 3.54 0.01 0.35 -4.52 113.70 119.03 1p6t s SER 13 Ca -0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1p6t s SER 13 Cb -0.01 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1p6t s SER 13 CO -0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1p6t n GLY 14 N -1.32 1.37 3.57 3.44 0.00 -1.26 -2.87 105.19 108.12 1p6t n GLY 14 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.56 2.62 0.03 1.61 1.00 -1.26 -4.80 119.30 117.93 1p6t s MET 15 Ca 0.00 1.52 0.27 0.00 0.00 0.00 0.00 55.69 57.49 1p6t s MET 15 Cb 0.00 -4.45 0.97 0.00 0.00 0.00 0.00 34.83 31.34 1p6t s MET 15 CO 0.00 -2.70 1.75 2.41 0.00 0.00 0.00 175.02 176.49 1p6t n THR 16 N 7.78 0.08 -1.70 2.05 -1.04 -1.26 -4.95 114.28 115.24 1p6t n THR 16 Ca 0.31 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 62.19 1p6t n THR 16 Cb 0.51 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 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 -2.40 -0.24 0.00 0.00 0.00 -1.26 -4.91 121.76 112.94 1p6t s ALA 18 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1p6t s ALA 18 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1p6t s ALA 18 CO 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 175.76 173.76 1p6t n ALA 19 N 4.56 0.00 -0.12 0.00 0.00 -1.26 -4.74 120.51 118.95 1p6t n ALA 19 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1p6t n ALA 19 Cb 0.44 -0.02 -0.01 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 1.10 0.16 -0.40 0.00 0.00 -1.91 -3.18 119.26 115.03 1p6t h ALA 21 Ca 0.13 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1p6t h ALA 21 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1p6t h ALA 21 CO -0.03 -0.17 0.28 0.00 0.00 0.00 0.00 179.25 179.33 1p6t h ALA 22 N 0.77 2.10 -0.48 0.00 0.00 -1.65 0.13 119.26 120.13 1p6t h ALA 22 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p6t h ALA 22 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1p6t h ALA 22 CO 0.00 -0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.38 1p6t h ARG 23 N 0.22 0.63 0.20 0.00 2.47 -0.39 0.20 114.38 117.71 1p6t h ARG 23 Ca 0.18 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1p6t h ARG 23 Cb 0.45 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1p6t h ARG 23 CO -0.03 0.43 -0.10 0.82 0.56 0.00 0.00 179.97 181.65 1p6t h ILE 24 N 0.65 0.89 -0.40 2.04 2.04 -0.89 0.14 117.51 121.98 1p6t h ILE 24 Ca 0.17 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.60 1p6t h ILE 24 Cb -0.06 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1p6t h ILE 24 CO -0.04 0.12 -0.10 -0.33 0.00 0.00 0.00 178.15 177.80 1p6t h GLU 25 N -0.53 0.00 -0.21 2.37 5.08 -0.78 0.31 114.58 120.83 1p6t h GLU 25 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1p6t h GLU 25 Cb 0.40 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1p6t h GLU 25 CO 0.04 0.00 0.07 -0.22 -1.00 0.00 0.00 179.01 177.90 1p6t h LYS 26 N 0.00 0.32 -0.74 2.33 3.64 -0.61 0.14 116.57 121.65 1p6t h LYS 26 Ca 0.19 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1p6t h LYS 26 Cb 0.29 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1p6t h LYS 26 CO -0.41 0.41 0.42 0.78 -2.27 0.00 0.00 179.45 178.39 1p6t h GLY 27 N 0.16 1.09 1.16 5.01 0.00 0.06 -2.33 103.07 108.23 1p6t h GLY 27 Ca 0.07 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.71 1p6t h GLY 27 CO -0.00 0.45 -0.75 1.41 0.00 0.00 0.00 176.54 177.65 1p6t h LEU 28 N 1.03 0.95 -1.88 3.11 -0.00 -0.27 -3.08 115.31 115.17 1p6t h LEU 28 Ca 0.26 -0.62 0.10 0.00 -0.00 0.00 0.00 57.88 57.62 1p6t h LEU 28 Cb -0.01 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.36 1p6t h LEU 28 CO -0.05 1.41 0.48 0.11 -0.00 0.00 0.00 178.44 180.39 1p6t h LYS 29 N 0.55 0.00 -0.43 1.13 6.56 -0.17 0.15 116.57 124.35 1p6t h LYS 29 Ca -0.04 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1p6t h LYS 29 Cb 1.37 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.01 1p6t h LYS 29 CO 0.16 0.00 0.29 -0.09 -2.06 0.00 0.00 179.45 177.74 1p6t h ARG 30 N 0.00 0.56 -7.07 3.15 9.65 -1.39 -3.44 114.38 115.84 1p6t h ARG 30 Ca 0.16 -0.03 -0.49 0.00 -1.10 0.00 0.00 59.98 58.52 1p6t h ARG 30 Cb 1.11 -0.13 0.05 0.00 -1.39 0.00 0.00 29.97 29.61 1p6t h ARG 30 CO -0.00 0.37 0.41 -1.64 2.80 0.00 0.00 179.97 181.91 1p6t s MET 31 N -5.52 3.62 0.02 0.20 -1.94 0.51 -4.99 119.30 111.20 1p6t s MET 31 Ca -0.08 1.49 -0.23 0.00 -1.71 0.00 0.00 55.69 55.16 1p6t s MET 31 Cb 0.17 -2.09 -0.17 0.00 2.01 0.00 0.00 34.83 34.76 1p6t s MET 31 CO 0.73 -0.60 1.37 -1.00 -0.01 0.00 0.00 175.02 175.51 1p6t h PRO 32 N 1.47 0.13 -0.01 2.03 0.13 -1.86 -3.27 132.00 130.62 1p6t h PRO 32 Ca -0.50 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 1p6t h PRO 32 Cb 1.24 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1p6t h PRO 32 CO 0.58 0.51 -0.40 0.78 -0.23 0.00 0.00 178.00 179.24 1p6t h GLY 33 N -0.25 0.03 -7.25 1.56 0.00 -1.88 -3.41 103.07 91.88 1p6t h GLY 33 Ca 0.01 -0.03 -0.54 0.00 0.00 0.00 0.00 47.33 46.78 1p6t h GLY 33 CO 0.01 0.02 1.57 -0.62 0.00 0.00 0.00 176.54 177.52 1p6t n VAL 34 N -4.06 0.10 -0.07 4.60 0.31 -1.23 -0.95 118.33 117.02 1p6t n VAL 34 Ca -0.02 -0.53 -0.08 0.00 -0.01 0.00 0.00 64.34 63.70 1p6t n VAL 34 Cb 0.44 -2.31 -0.06 0.00 -0.91 0.00 0.00 33.84 31.00 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 7.46 0.67 -1.50 2.52 2.02 -1.17 -3.46 112.91 119.45 1p6t h THR 35 Ca -0.28 -1.58 -0.10 0.00 0.77 0.00 0.00 66.41 65.22 1p6t h THR 35 Cb 1.27 1.35 -0.26 0.00 -1.74 0.00 0.00 68.15 68.77 1p6t h THR 35 CO 1.10 0.23 -0.46 -0.62 0.37 0.00 0.00 175.52 176.13 1p6t s ASP 36 N -5.98 -0.29 -0.22 4.18 2.15 -0.41 -5.03 116.67 111.07 1p6t s ASP 36 Ca -0.13 -0.03 -0.28 0.00 0.43 0.00 0.00 52.55 52.53 1p6t s ASP 36 Cb 0.00 1.43 0.01 0.00 -0.30 0.00 0.00 42.92 44.06 1p6t s ASP 36 CO 0.33 -0.32 1.01 0.00 -0.17 0.00 0.00 175.17 176.02 1p6t s ALA 37 N 2.64 3.67 0.23 3.66 0.00 -1.26 -2.37 121.76 128.33 1p6t s ALA 37 Ca 0.11 0.15 0.11 0.00 0.00 0.00 0.00 51.96 52.33 1p6t s ALA 37 Cb -0.13 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1p6t s ALA 37 CO -0.26 -1.01 -0.20 -0.80 0.00 0.00 0.00 175.76 173.49 1p6t s ASN 38 N 1.21 3.28 -0.24 0.00 0.01 0.17 -4.84 114.94 114.53 1p6t s ASN 38 Ca 0.43 -0.96 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 1p6t s ASN 38 Cb -0.15 -0.25 0.12 0.00 0.41 0.00 0.00 41.25 41.39 1p6t s ASN 38 CO 0.07 0.02 0.31 0.54 -1.51 0.00 0.00 177.10 176.53 1p6t s VAL 39 N -2.28 -0.47 -1.46 1.60 0.11 -1.26 -0.36 120.40 116.27 1p6t s VAL 39 Ca 0.24 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.99 1p6t s VAL 39 Cb -0.05 -0.82 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1p6t s VAL 39 CO 0.11 -0.23 2.35 -3.20 -3.33 0.00 0.00 175.10 170.80 1p6t n ASN 40 N 5.34 5.54 -0.03 3.54 5.15 0.15 -4.73 115.26 130.22 1p6t n ASN 40 Ca -0.04 -2.85 0.23 0.00 -0.60 0.00 0.00 54.58 51.32 1p6t n ASN 40 Cb 0.49 -1.58 0.72 0.00 -0.53 0.00 0.00 39.78 38.88 1p6t n ASN 40 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1p6t h LEU 41 N 8.59 0.00 -2.20 1.20 8.10 -1.93 0.92 115.31 129.99 1p6t h LEU 41 Ca 0.62 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.65 1p6t h LEU 41 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1p6t h LEU 41 CO 1.79 0.00 0.11 0.00 -4.11 0.00 0.00 178.44 176.23 1p6t h ALA 42 N 1.61 1.88 0.00 0.17 0.00 -1.93 -0.21 119.26 120.77 1p6t h ALA 42 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1p6t h ALA 42 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1p6t h ALA 42 CO -0.00 -0.17 -0.01 0.25 0.00 0.00 0.00 179.25 179.32 1p6t n THR 43 N -4.11 1.32 -4.02 0.00 -2.24 0.22 -5.03 114.28 100.41 1p6t n THR 43 Ca -0.00 -1.47 -0.27 0.00 -2.27 0.00 0.00 64.05 60.03 1p6t n THR 43 Cb 0.22 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.86 -2.61 -4.88 -0.78 1.02 -0.09 -5.00 120.64 107.45 1p6t n GLU 44 Ca 0.07 0.33 -0.28 0.00 -0.02 0.00 0.00 57.16 57.26 1p6t n GLU 44 Cb 0.42 -4.25 -0.17 0.00 -0.02 0.00 0.00 31.44 27.43 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 -4.02 1.54 -0.05 2.62 2.01 -1.04 -4.27 115.64 112.42 1p6t s THR 45 Ca 0.03 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1p6t s THR 45 Cb -0.01 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 1p6t s THR 45 CO 0.91 0.44 0.46 0.54 -0.69 0.00 0.00 174.62 176.28 1p6t s VAL 46 N 0.39 5.08 -0.34 3.82 0.11 0.78 0.34 120.40 130.57 1p6t s VAL 46 Ca -0.13 0.93 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 1p6t s VAL 46 Cb -0.15 -3.78 0.10 0.00 -1.53 0.00 0.00 36.38 31.02 1p6t s VAL 46 CO 0.05 0.45 0.09 0.20 -3.33 0.00 0.00 175.10 172.56 1p6t s ASN 47 N -0.23 4.44 -0.19 3.54 -0.87 0.51 -0.51 114.94 121.63 1p6t s ASN 47 Ca 0.25 -2.04 -0.15 0.00 -1.57 0.00 0.00 52.86 49.35 1p6t s ASN 47 Cb -0.16 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.25 39.69 1p6t s ASN 47 CO 0.12 -0.38 0.34 -0.69 -2.57 0.00 0.00 177.10 173.92 1p6t s VAL 48 N 1.07 5.25 -0.20 1.60 1.01 -0.85 -0.65 120.40 127.62 1p6t s VAL 48 Ca 0.11 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 1p6t s VAL 48 Cb -0.19 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1p6t s VAL 48 CO -0.13 0.31 -0.10 -0.63 0.00 0.00 0.00 175.10 174.55 1p6t s ILE 49 N 0.99 2.95 0.30 2.22 1.01 -1.00 -1.33 121.20 126.35 1p6t s ILE 49 Ca 0.17 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 1p6t s ILE 49 Cb -0.14 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1p6t s ILE 49 CO 0.06 0.47 0.66 -0.72 0.00 0.00 0.00 174.94 175.41 1p6t s TYR 50 N 1.32 0.11 -0.21 3.97 1.13 -0.82 -0.74 117.35 122.11 1p6t s TYR 50 Ca 0.04 -0.58 -0.21 0.00 -1.41 0.00 0.00 57.07 54.91 1p6t s TYR 50 Cb -0.14 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.25 1p6t s TYR 50 CO -0.05 -1.25 0.65 0.34 -2.51 0.00 0.00 175.55 172.73 1p6t s ASP 51 N -3.00 6.68 0.00 -0.18 -1.08 -0.13 -1.33 116.67 117.63 1p6t s ASP 51 Ca 0.16 0.83 -0.03 0.00 -0.52 0.00 0.00 52.55 53.00 1p6t s ASP 51 Cb -0.04 -2.36 -0.14 0.00 -1.46 0.00 0.00 42.92 38.93 1p6t s ASP 51 CO 0.10 -0.31 2.62 -0.81 0.52 0.00 0.00 175.17 177.29 1p6t n PRO 52 N 5.24 1.39 -0.71 4.34 -0.04 -1.26 -3.34 135.00 140.62 1p6t n PRO 52 Ca -0.01 -0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 62.91 1p6t n PRO 52 Cb 0.49 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 2.13 1.91 0.00 0.55 0.00 -1.26 -4.72 120.51 119.12 1p6t n ALA 53 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1p6t n ALA 53 Cb 0.65 -0.22 0.00 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 0.00 0.00 0.00 1.02 -1.21 -5.05 120.64 115.40 1p6t n GLU 54 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1p6t n GLU 54 Cb 0.50 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 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 -2.04 0.00 0.00 2.62 -1.04 -1.25 -4.79 114.28 107.78 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 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 3.04 3.11 0.34 3.41 0.00 -1.26 -4.68 105.19 109.15 1p6t n GLY 56 Ca 0.00 -1.19 0.21 0.00 0.00 0.00 0.00 46.02 45.05 1p6t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6t h THR 57 N 0.00 0.40 -0.72 2.61 1.03 -1.94 0.41 112.91 114.69 1p6t h THR 57 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1p6t h THR 57 Cb 0.00 -0.07 -0.04 0.00 -1.07 0.00 0.00 68.15 66.97 1p6t h THR 57 CO 0.00 0.08 0.46 0.00 -0.01 0.00 0.00 175.52 176.05 1p6t h ALA 58 N 1.80 0.92 -0.23 0.00 0.00 -1.92 -2.02 119.26 117.81 1p6t h ALA 58 Ca 0.70 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.46 1p6t h ALA 58 Cb 1.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1p6t h ALA 58 CO -0.55 0.36 -0.22 0.00 0.00 0.00 0.00 179.25 178.84 1p6t h ALA 59 N 1.25 1.20 0.29 0.00 0.00 -0.48 0.12 119.26 121.64 1p6t h ALA 59 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p6t h ALA 59 Cb -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1p6t h ALA 59 CO -0.05 0.51 -0.34 0.82 0.00 0.00 0.00 179.25 180.20 1p6t h ILE 60 N 0.38 0.30 -0.75 0.00 1.08 -0.81 -1.29 117.51 116.42 1p6t h ILE 60 Ca 0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1p6t h ILE 60 Cb 0.59 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 1p6t h ILE 60 CO 0.04 0.00 0.33 0.06 -0.69 0.00 0.00 178.15 177.89 1p6t h GLN 61 N -0.67 1.08 -0.96 2.37 3.07 -1.01 -1.45 115.11 117.55 1p6t h GLN 61 Ca -0.01 -0.17 0.14 0.00 0.09 0.00 0.00 58.65 58.70 1p6t h GLN 61 Cb 0.62 -0.19 -0.09 0.00 0.08 0.00 0.00 27.48 27.90 1p6t h GLN 61 CO -0.09 0.85 0.58 1.49 0.09 0.00 0.00 178.83 181.75 1p6t h GLU 62 N 1.07 0.83 -0.40 0.06 4.81 -0.43 0.58 114.58 121.10 1p6t h GLU 62 Ca 0.25 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1p6t h GLU 62 Cb 0.15 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1p6t h GLU 62 CO -0.03 0.55 -0.16 -0.22 -0.73 0.00 0.00 179.01 178.42 1p6t h LYS 63 N 0.86 0.81 -0.29 1.92 1.63 -0.15 0.16 116.57 121.50 1p6t h LYS 63 Ca 0.50 -0.34 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1p6t h LYS 63 Cb 0.61 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 1p6t h LYS 63 CO -0.31 0.97 -0.04 0.82 -3.45 0.00 0.00 179.45 177.44 1p6t h ILE 64 N 0.62 0.74 -0.60 2.00 2.04 -0.94 0.53 117.51 121.91 1p6t h ILE 64 Ca 0.09 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1p6t h ILE 64 Cb 0.71 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1p6t h ILE 64 CO 0.05 0.01 0.06 -0.33 0.00 0.00 0.00 178.15 177.94 1p6t h GLU 65 N 0.04 1.00 -0.18 2.37 5.08 -0.64 -1.41 114.58 120.84 1p6t h GLU 65 Ca 0.14 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1p6t h GLU 65 Cb 0.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1p6t h GLU 65 CO -0.27 0.95 0.04 0.87 -1.00 0.00 0.00 179.01 179.60 1p6t h LYS 66 N 0.93 0.25 0.00 2.33 1.57 -0.25 0.15 116.57 121.56 1p6t h LYS 66 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1p6t h LYS 66 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1p6t h LYS 66 CO 0.02 0.24 0.00 1.28 -0.57 0.00 0.00 179.45 180.42 1p6t n LEU 67 N -4.43 0.00 -0.87 2.94 4.77 0.14 -4.89 117.00 114.67 1p6t n LEU 67 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1p6t n LEU 67 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1p6t n LEU 67 CO 0.36 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.93 1p6t n GLY 68 N 0.45 0.41 4.01 -0.72 0.00 0.52 -5.04 105.19 104.81 1p6t n GLY 68 Ca 0.15 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.39 2.01 -0.00 1.61 1.51 -0.63 -4.95 117.35 114.51 1p6t s TYR 69 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1p6t s TYR 69 Cb 0.00 -2.53 0.00 0.00 -0.11 0.00 0.00 41.96 39.33 1p6t s TYR 69 CO 0.00 -1.08 0.00 -1.01 -1.11 0.00 0.00 175.55 172.36 1p6t s HIS 70 N -2.73 0.01 0.19 2.71 3.76 -1.14 -4.15 115.29 113.94 1p6t s HIS 70 Ca 0.61 0.01 -0.25 0.00 -0.15 0.00 0.00 55.06 55.28 1p6t s HIS 70 Cb -0.07 -0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.50 1p6t s HIS 70 CO 0.39 -0.01 0.80 0.14 -0.85 0.00 0.00 174.74 175.21 1p6t s VAL 71 N 0.12 4.34 -0.81 -0.90 -7.23 -1.26 -0.50 120.40 114.16 1p6t s VAL 71 Ca -0.01 1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 61.66 1p6t s VAL 71 Cb -0.01 -4.12 0.09 0.00 0.56 0.00 0.00 36.38 32.89 1p6t s VAL 71 CO -0.00 0.46 1.10 -0.69 -0.31 0.00 0.00 175.10 175.66 1p6t s VAL 72 N -1.22 4.39 -0.22 1.32 1.01 -0.04 -4.90 120.40 120.75 1p6t s VAL 72 Ca 0.38 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1p6t s VAL 72 Cb -0.22 -4.78 0.06 0.00 0.00 0.00 0.00 36.38 31.43 1p6t s VAL 72 CO 0.26 -1.56 0.57 -0.89 0.00 0.00 0.00 175.10 173.49 1p6t s THR 73 N 3.76 -0.00 -0.06 3.92 2.01 -1.26 -4.28 115.64 119.73 1p6t s THR 73 Ca 0.30 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1p6t s THR 73 Cb -0.10 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.62 1p6t s THR 73 CO 0.01 0.00 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.21 1p6t s GLU 74 N 0.36 1.54 -1.14 4.92 2.02 -0.77 -4.93 118.70 120.70 1p6t s GLU 74 Ca -0.00 -0.40 -0.18 0.00 0.02 0.00 0.00 54.97 54.41 1p6t s GLU 74 Cb -0.04 -1.30 0.10 0.00 0.10 0.00 0.00 34.13 32.98 1p6t s GLU 74 CO 0.00 0.06 1.48 -1.59 0.02 0.00 0.00 175.26 175.22 1p6t s LYS 75 N 0.55 3.84 0.37 1.61 -2.85 -1.26 -3.08 119.74 118.91 1p6t s LYS 75 Ca -0.12 -1.86 -0.06 0.00 -1.00 0.00 0.00 55.97 52.93 1p6t s LYS 75 Cb -0.14 -5.26 -0.05 0.00 -2.06 0.00 0.00 37.83 30.31 1p6t s LYS 75 CO 0.03 -2.04 0.66 0.00 0.10 0.00 0.00 175.35 174.10 1p6t s ALA 76 N 3.51 3.51 -0.18 0.59 0.00 0.52 -4.88 121.76 124.83 1p6t s ALA 76 Ca 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1p6t s ALA 76 Cb -0.00 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1p6t s ALA 76 CO -0.02 0.02 -0.16 -1.21 0.00 0.00 0.00 175.76 174.39 1p6t s GLU 77 N -3.97 3.12 0.10 0.00 0.41 -1.26 -0.26 118.70 116.84 1p6t s GLU 77 Ca 0.46 -0.77 0.08 0.00 -0.41 0.00 0.00 54.97 54.33 1p6t s GLU 77 Cb -0.10 -2.65 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1p6t s GLU 77 CO 0.34 -0.13 -0.17 -0.06 -0.49 0.00 0.00 175.26 174.76 1p6t s PHE 78 N 1.15 2.57 0.09 1.61 0.40 0.11 -1.67 117.98 122.23 1p6t s PHE 78 Ca 0.01 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1p6t s PHE 78 Cb -0.14 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1p6t s PHE 78 CO -0.07 0.37 0.20 0.34 0.70 0.00 0.00 175.22 176.77 1p6t s ASP 79 N -2.05 6.19 -0.09 1.36 -1.08 0.54 -0.32 116.67 121.23 1p6t s ASP 79 Ca 0.18 0.19 0.02 0.00 -0.52 0.00 0.00 52.55 52.41 1p6t s ASP 79 Cb -0.11 -1.85 0.01 0.00 -1.46 0.00 0.00 42.92 39.52 1p6t s ASP 79 CO 0.10 0.14 -0.13 -0.63 0.52 0.00 0.00 175.17 175.16 1p6t s ILE 80 N -1.56 1.29 -0.21 4.11 1.01 0.10 0.01 121.20 125.95 1p6t s ILE 80 Ca 0.34 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1p6t s ILE 80 Cb -0.12 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1p6t s ILE 80 CO 0.27 0.40 0.06 -0.70 0.00 0.00 0.00 174.94 174.96 1p6t s GLU 81 N 0.89 3.81 -0.07 2.79 2.12 -0.91 -4.58 118.70 122.74 1p6t s GLU 81 Ca -0.10 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 1p6t s GLU 81 Cb -0.15 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1p6t s GLU 81 CO 0.01 0.08 0.06 0.41 -0.54 0.00 0.00 175.26 175.28 1p6t n GLY 82 N 4.12 0.68 0.09 -1.50 0.00 -1.26 -3.86 105.19 103.46 1p6t n GLY 82 Ca -0.16 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1p6t n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1p6t n MET 83 N -0.93 0.65 -1.27 1.61 0.00 -1.26 -4.52 117.12 111.41 1p6t n MET 83 Ca -0.01 0.19 -0.30 0.00 0.00 0.00 0.00 57.70 57.58 1p6t n MET 83 Cb 0.51 -1.70 -0.07 0.00 0.00 0.00 0.00 33.22 31.96 1p6t n MET 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1p6t n THR 84 N -2.94 3.93 -0.04 3.17 -2.24 -1.26 -1.40 114.28 113.50 1p6t n THR 84 Ca -0.23 -2.37 -0.09 0.00 -2.27 0.00 0.00 64.05 59.09 1p6t n THR 84 Cb 1.09 -2.35 -0.03 0.00 -2.10 0.00 0.00 70.33 66.94 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p6t n ALA 86 N -3.33 -0.37 -3.83 0.00 0.00 -1.26 -4.96 120.51 106.77 1p6t n ALA 86 Ca -0.17 -1.87 -0.27 0.00 0.00 0.00 0.00 53.44 51.12 1p6t n ALA 86 Cb 0.63 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 0.99 -1.46 -0.05 0.00 0.00 -1.26 -4.86 120.51 113.88 1p6t n ALA 87 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 1p6t n ALA 87 Cb 0.65 -3.99 0.04 0.00 0.00 0.00 0.00 19.45 16.14 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 0.92 0.85 -0.27 0.00 0.00 -1.89 0.23 119.26 119.10 1p6t h ALA 89 Ca 0.03 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 89 Cb 1.01 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1p6t h ALA 89 CO 0.10 -0.30 -0.47 -0.91 0.00 0.00 0.00 179.25 177.67 1p6t h ASN 90 N 0.30 0.76 0.30 0.00 2.35 -1.60 0.28 115.58 117.97 1p6t h ASN 90 Ca 0.37 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1p6t h ASN 90 Cb 0.57 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1p6t h ASN 90 CO -0.44 1.11 -0.25 0.03 -1.65 0.00 0.00 177.43 176.23 1p6t h ARG 91 N 0.56 -0.55 -0.63 0.81 2.47 0.02 -2.64 114.38 114.43 1p6t h ARG 91 Ca 0.03 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1p6t h ARG 91 Cb 1.03 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.44 1p6t h ARG 91 CO 0.10 -0.36 0.23 -0.84 0.56 0.00 0.00 179.97 179.66 1p6t h ILE 92 N -0.57 1.23 0.03 2.04 3.07 -0.41 -2.82 117.51 120.07 1p6t h ILE 92 Ca -0.02 -0.73 0.02 0.00 1.55 0.00 0.00 64.86 65.68 1p6t h ILE 92 Cb 0.50 0.50 -0.05 0.00 -0.27 0.00 0.00 36.82 37.50 1p6t h ILE 92 CO -0.03 0.29 -0.49 -0.08 -1.05 0.00 0.00 178.15 176.79 1p6t h GLU 93 N 0.91 -0.64 -0.33 0.16 4.81 -0.39 0.29 114.58 119.39 1p6t h GLU 93 Ca 0.21 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.58 1p6t h GLU 93 Cb 0.20 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1p6t h GLU 93 CO -0.02 -0.43 0.29 0.87 -0.73 0.00 0.00 179.01 179.00 1p6t h LYS 94 N -0.66 0.00 0.02 1.92 6.56 -1.23 0.22 116.57 123.40 1p6t h LYS 94 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1p6t h LYS 94 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1p6t h LYS 94 CO -0.33 0.00 -0.01 0.00 -2.06 0.00 0.00 179.45 177.06 1p6t h ARG 95 N 0.00 -0.02 -1.06 3.15 2.47 -0.70 -3.37 114.38 114.85 1p6t h ARG 95 Ca 0.16 0.00 0.39 0.00 -1.26 0.00 0.00 59.98 59.26 1p6t h ARG 95 Cb 0.73 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.90 1p6t h ARG 95 CO -0.00 -0.01 0.61 -0.07 0.56 0.00 0.00 179.97 181.05 1p6t h LEU 96 N -0.05 0.38 -0.70 3.04 4.07 -0.17 -0.58 115.31 121.30 1p6t h LEU 96 Ca -0.00 0.21 0.24 0.00 0.08 0.00 0.00 57.88 58.41 1p6t h LEU 96 Cb 0.02 0.19 -0.13 0.00 1.08 0.00 0.00 40.66 41.82 1p6t h LEU 96 CO 0.00 -0.28 0.20 -3.20 -1.08 0.00 0.00 178.44 174.09 1p6t n ASN 97 N -5.08 0.09 -2.71 -0.43 2.85 0.76 -3.61 115.26 107.13 1p6t n ASN 97 Ca 0.36 1.17 -0.04 0.00 -0.11 0.00 0.00 54.58 55.95 1p6t n ASN 97 Cb 1.20 -0.50 0.04 0.00 1.24 0.00 0.00 39.78 41.76 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 -4.75 0.36 0.26 1.20 2.85 -0.26 -4.15 118.16 113.66 1p6t n LYS 98 Ca 0.22 -1.33 -0.11 0.00 -1.05 0.00 0.00 58.31 56.04 1p6t n LYS 98 Cb 0.73 -0.70 -0.05 0.00 -0.65 0.00 0.00 35.03 34.35 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1p6t h ILE 99 N 3.21 0.00 0.00 0.58 1.08 -1.54 -3.48 117.51 117.36 1p6t h ILE 99 Ca -0.05 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1p6t h ILE 99 Cb 1.13 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1p6t h ILE 99 CO -0.01 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.66 1p6t n GLU 100 N -5.11 0.00 -1.23 2.37 0.00 -1.26 -4.98 120.64 110.42 1p6t n GLU 100 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.79 1p6t n GLU 100 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.64 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p6t n GLY 101 N 0.00 3.81 3.36 8.31 0.00 -1.24 -4.60 105.19 114.84 1p6t n GLY 101 Ca 0.00 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N 1.34 3.71 -0.06 1.61 1.01 -1.26 -0.89 120.40 125.85 1p6t s VAL 102 Ca 0.67 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 1p6t s VAL 102 Cb 0.24 -2.70 -0.24 0.00 0.00 0.00 0.00 36.38 33.68 1p6t s VAL 102 CO -0.05 0.40 1.00 0.00 0.00 0.00 0.00 175.10 176.45 1p6t h ALA 103 N 8.08 0.02 -2.71 5.51 0.00 -0.67 -3.41 119.26 126.09 1p6t h ALA 103 Ca -0.40 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 1p6t h ALA 103 Cb 1.17 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1p6t h ALA 103 CO 0.60 0.04 -0.25 -0.80 0.00 0.00 0.00 179.25 178.84 1p6t s ASN 104 N -6.25 -0.02 -0.45 0.00 0.01 -0.83 -4.83 114.94 102.57 1p6t s ASN 104 Ca -0.16 -0.86 0.03 0.00 -0.71 0.00 0.00 52.86 51.16 1p6t s ASN 104 Cb 0.00 0.48 0.23 0.00 0.41 0.00 0.00 41.25 42.37 1p6t s ASN 104 CO 0.73 -0.96 0.92 0.00 -1.51 0.00 0.00 177.10 176.28 1p6t n ALA 105 N -0.27 -2.26 -1.76 0.60 0.00 -1.26 -0.38 120.51 115.19 1p6t n ALA 105 Ca -0.06 -0.89 -0.39 0.00 0.00 0.00 0.00 53.44 52.09 1p6t n ALA 105 Cb 0.63 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 0.70 4.44 0.07 0.00 0.04 -1.16 -4.52 135.00 134.57 1p6t s PRO 106 Ca 0.29 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.17 1p6t s PRO 106 Cb 0.14 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 1p6t s PRO 106 CO -0.14 0.02 0.15 0.54 0.04 0.00 0.00 177.00 177.61 1p6t s VAL 107 N -1.27 4.99 -0.48 -0.36 0.11 -1.26 -1.06 120.40 121.08 1p6t s VAL 107 Ca 0.49 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1p6t s VAL 107 Cb -0.31 -3.42 0.13 0.00 -1.53 0.00 0.00 36.38 31.25 1p6t s VAL 107 CO 0.40 0.14 0.24 0.20 -3.33 0.00 0.00 175.10 172.75 1p6t s ASN 108 N -2.44 4.04 0.18 3.54 -0.87 0.48 -4.96 114.94 114.90 1p6t s ASN 108 Ca 0.32 -2.81 0.12 0.00 -1.57 0.00 0.00 52.86 48.92 1p6t s ASN 108 Cb -0.13 -1.37 0.66 0.00 -0.02 0.00 0.00 41.25 40.40 1p6t s ASN 108 CO 0.25 -0.25 1.38 0.49 -2.57 0.00 0.00 177.10 176.40 1p6t n PHE 109 N 3.34 0.41 -0.04 2.20 3.01 -1.26 -0.90 117.46 124.23 1p6t n PHE 109 Ca 0.06 0.21 -0.15 0.00 1.01 0.00 0.00 57.45 58.59 1p6t n PHE 109 Cb 0.33 -0.84 -0.14 0.00 -0.01 0.00 0.00 39.48 38.82 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p6t n ALA 110 N -1.65 1.26 0.50 4.37 0.00 -1.26 -4.42 120.51 119.30 1p6t n ALA 110 Ca -0.01 -0.82 0.05 0.00 0.00 0.00 0.00 53.44 52.66 1p6t n ALA 110 Cb 0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.19 0.65 -2.85 0.00 4.77 -1.09 -5.01 117.00 110.28 1p6t n LEU 111 Ca -0.28 -0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 55.02 1p6t n LEU 111 Cb 1.06 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 1p6t n LEU 111 CO 0.41 0.15 0.07 -0.62 -1.33 0.00 0.00 177.39 176.08 1p6t n GLU 112 N -1.05 -4.49 -4.34 3.23 1.02 -0.08 -4.91 120.64 110.03 1p6t n GLU 112 Ca 0.03 0.65 -0.17 0.00 -0.02 0.00 0.00 57.16 57.64 1p6t n GLU 112 Cb 0.18 -5.02 -0.10 0.00 -0.02 0.00 0.00 31.44 26.47 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1p6t s THR 113 N -3.28 0.87 -0.04 2.62 -4.23 -1.03 -0.73 115.64 109.82 1p6t s THR 113 Ca 0.06 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1p6t s THR 113 Cb -0.01 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1p6t s THR 113 CO 0.56 -0.19 0.09 0.54 -0.54 0.00 0.00 174.62 175.08 1p6t s VAL 114 N -3.53 -0.06 0.18 2.29 0.11 0.57 -0.39 120.40 119.57 1p6t s VAL 114 Ca 0.32 0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 59.30 1p6t s VAL 114 Cb 0.07 -0.16 -0.08 0.00 -1.53 0.00 0.00 36.38 34.68 1p6t s VAL 114 CO 0.11 0.08 0.84 -0.89 -3.33 0.00 0.00 175.10 171.91 1p6t s THR 115 N 1.14 4.29 -0.16 5.04 2.01 -0.22 -0.72 115.64 127.02 1p6t s THR 115 Ca -0.09 1.85 0.01 0.00 0.31 0.00 0.00 61.69 63.77 1p6t s THR 115 Cb -0.12 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1p6t s THR 115 CO -0.04 0.50 -0.17 0.54 -0.69 0.00 0.00 174.62 174.75 1p6t s VAL 116 N -1.04 2.44 -0.60 3.82 0.11 0.64 -2.98 120.40 122.79 1p6t s VAL 116 Ca 0.38 -0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1p6t s VAL 116 Cb -0.24 -2.02 0.16 0.00 -1.53 0.00 0.00 36.38 32.75 1p6t s VAL 116 CO 0.28 0.52 0.45 -1.61 -3.33 0.00 0.00 175.10 171.41 1p6t s GLU 117 N 0.93 2.65 0.21 1.54 2.02 0.49 -0.36 118.70 126.19 1p6t s GLU 117 Ca -0.04 -2.26 -0.00 0.00 0.02 0.00 0.00 54.97 52.70 1p6t s GLU 117 Cb -0.15 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 1p6t s GLU 117 CO -0.03 -1.19 0.11 1.52 0.02 0.00 0.00 175.26 175.69 1p6t s TYR 118 N 0.45 1.24 -0.45 1.61 1.13 -1.18 -0.01 117.35 120.14 1p6t s TYR 118 Ca 0.13 -1.29 -0.24 0.00 -1.41 0.00 0.00 57.07 54.26 1p6t s TYR 118 Cb -0.20 -0.65 0.03 0.00 -1.10 0.00 0.00 41.96 40.03 1p6t s TYR 118 CO -0.04 -0.52 0.86 1.21 -2.51 0.00 0.00 175.55 174.55 1p6t s ASN 119 N -3.19 6.47 0.00 -0.18 2.47 -0.07 -1.84 114.94 118.60 1p6t s ASN 119 Ca 0.36 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1p6t s ASN 119 Cb 0.07 -2.42 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1p6t s ASN 119 CO 0.11 -0.98 0.61 -0.81 -3.72 0.00 0.00 177.10 172.32 1p6t n PRO 120 N 6.93 0.64 -0.12 0.43 -0.04 -1.26 -2.17 135.00 139.42 1p6t n PRO 120 Ca 0.04 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.35 1p6t n PRO 120 Cb 0.48 -1.03 -0.12 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.44 0.67 -0.01 0.54 4.76 -1.26 -4.59 118.16 117.83 1p6t n LYS 121 Ca 0.00 0.11 -0.18 0.00 -2.87 0.00 0.00 58.31 55.38 1p6t n LYS 121 Cb 0.01 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.62 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 0.63 0.00 1.97 3.07 -1.81 -3.48 114.58 114.96 1p6t h GLU 122 Ca -0.54 -0.57 -0.11 0.00 -0.50 0.00 0.00 59.36 57.64 1p6t h GLU 122 Cb 1.92 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.94 1p6t h GLU 122 CO -0.06 1.18 -0.10 0.00 -1.40 0.00 0.00 179.01 178.63 1p6t n ALA 123 N -2.59 0.13 -3.78 3.43 0.00 -0.98 -4.97 120.51 111.74 1p6t n ALA 123 Ca -0.09 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1p6t n ALA 123 Cb 0.71 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.52 -0.31 0.32 0.00 1.04 -1.26 -4.41 113.70 107.56 1p6t s SER 124 Ca 0.05 -0.50 0.08 0.00 0.48 0.00 0.00 55.95 56.06 1p6t s SER 124 Cb 0.00 0.70 0.94 0.00 0.10 0.00 0.00 66.02 67.76 1p6t s SER 124 CO 0.04 -1.28 1.59 0.58 0.98 0.00 0.00 173.24 175.15 1p6t h VAL 125 N 2.00 0.07 -0.78 5.02 2.07 -1.99 0.11 116.25 122.75 1p6t h VAL 125 Ca -0.22 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.44 1p6t h VAL 125 Cb 1.26 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1p6t h VAL 125 CO 0.26 0.01 0.31 0.28 0.02 0.00 0.00 177.57 178.45 1p6t h SER 126 N 0.05 0.28 0.16 0.57 0.02 -1.98 0.17 113.55 112.81 1p6t h SER 126 Ca 0.67 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.73 1p6t h SER 126 Cb 1.53 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1p6t h SER 126 CO -0.83 0.09 -0.08 -0.78 -1.14 0.00 0.00 176.83 174.09 1p6t h ASP 127 N 0.44 -0.18 -0.30 3.07 1.82 -1.18 0.09 116.42 120.18 1p6t h ASP 127 Ca 0.44 -0.02 0.02 0.00 -0.39 0.00 0.00 57.03 57.08 1p6t h ASP 127 Cb 0.69 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.72 1p6t h ASP 127 CO -0.43 -0.11 0.14 -0.07 -1.61 0.00 0.00 179.24 177.16 1p6t h LEU 128 N -0.25 0.19 -0.14 2.28 3.38 -1.22 0.15 115.31 119.71 1p6t h LEU 128 Ca -0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1p6t h LEU 128 Cb 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1p6t h LEU 128 CO 0.04 0.15 -0.03 0.11 0.09 0.00 0.00 178.44 178.80 1p6t h LYS 129 N 0.29 0.01 -0.72 1.13 1.57 -0.57 -0.02 116.57 118.26 1p6t h LYS 129 Ca 0.13 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1p6t h LYS 129 Cb 0.06 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1p6t h LYS 129 CO -0.10 0.01 0.48 1.49 -0.57 0.00 0.00 179.45 180.76 1p6t h GLU 130 N 0.01 0.95 0.05 3.15 4.81 -0.16 0.17 114.58 123.57 1p6t h GLU 130 Ca 0.07 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1p6t h GLU 130 Cb 0.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1p6t h GLU 130 CO -0.14 0.63 -0.08 0.00 -0.73 0.00 0.00 179.01 178.69 1p6t h ALA 131 N 1.26 -0.13 0.00 2.92 0.00 -0.39 -0.47 119.26 122.45 1p6t h ALA 131 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1p6t h ALA 131 Cb -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p6t h ALA 131 CO -0.06 -0.59 -0.38 0.28 0.00 0.00 0.00 179.25 178.50 1p6t h VAL 132 N -0.17 1.11 0.12 0.00 2.07 -0.65 -1.11 116.25 117.63 1p6t h VAL 132 Ca 0.01 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1p6t h VAL 132 Cb 0.18 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1p6t h VAL 132 CO -0.05 0.37 -0.17 -0.78 0.02 0.00 0.00 177.57 176.97 1p6t h ASP 133 N 0.00 -0.45 -0.52 0.57 3.58 -0.03 0.17 116.42 119.75 1p6t h ASP 133 Ca -0.00 0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.60 1p6t h ASP 133 Cb 0.74 0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.88 1p6t h ASP 133 CO 0.05 -0.24 0.03 0.11 -2.88 0.00 0.00 179.24 176.31 1p6t h LYS 134 N -0.34 0.15 0.00 0.28 1.57 -0.67 -0.16 116.57 117.40 1p6t h LYS 134 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1p6t h LYS 134 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1p6t h LYS 134 CO -0.07 0.10 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.79 1p6t h LEU 135 N 0.15 0.00 -0.26 2.94 -0.00 -0.65 -3.47 115.31 114.02 1p6t h LEU 135 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1p6t h LEU 135 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1p6t h LEU 135 CO -0.41 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 178.69 1p6t n GLY 136 N -1.35 0.97 0.00 0.83 0.00 0.56 -5.08 105.19 101.12 1p6t n GLY 136 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.62 0.00 -3.85 1.61 4.01 -0.93 -5.04 117.16 112.34 1p6t n TYR 137 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1p6t n TYR 137 Cb 0.13 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 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 1.41 0.26 0.13 -0.72 0.00 -1.25 -4.40 119.74 115.17 1p6t s LYS 138 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 55.97 55.96 1p6t s LYS 138 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 37.83 37.91 1p6t s LYS 138 CO 0.00 -0.05 0.25 -0.51 0.00 0.00 0.00 175.35 175.04 1p6t s LEU 139 N -0.45 4.28 0.31 2.77 1.43 -1.26 -2.15 118.68 123.61 1p6t s LEU 139 Ca -0.05 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1p6t s LEU 139 Cb -0.03 -2.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.26 1p6t s LEU 139 CO 0.01 0.09 0.07 -0.54 0.23 0.00 0.00 176.35 176.20 1p6t s LYS 140 N -3.01 1.61 -0.10 1.70 -0.14 0.10 -4.94 119.74 114.96 1p6t s LYS 140 Ca 0.34 -1.89 0.04 0.00 -1.36 0.00 0.00 55.97 53.10 1p6t s LYS 140 Cb -0.11 -0.70 -0.00 0.00 -1.68 0.00 0.00 37.83 35.33 1p6t s LYS 140 CO 0.28 -0.23 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.90 1p6t s LEU 141 N -3.45 2.17 -1.28 3.17 2.01 -1.26 -0.34 118.68 119.70 1p6t s LEU 141 Ca 0.36 -0.52 -0.17 0.00 0.01 0.00 0.00 54.13 53.81 1p6t s LEU 141 Cb 0.08 -1.43 0.10 0.00 0.01 0.00 0.00 46.19 44.95 1p6t s LEU 141 CO 0.15 0.17 1.66 0.29 1.01 0.00 0.00 176.35 179.63 1p6t n LYS 142 N 3.44 3.25 0.00 1.70 4.01 -0.67 -4.62 118.16 125.27 1p6t n LYS 142 Ca -0.19 -3.44 0.00 0.00 -0.51 0.00 0.00 58.31 54.17 1p6t n LYS 142 Cb 0.53 -3.36 0.00 0.00 -0.51 0.00 0.00 35.03 31.69 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1p6t n GLY 143 N 4.97 1.09 2.95 0.72 0.00 -1.26 -3.85 105.19 109.81 1p6t n GLY 143 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.66 0.11 1.61 2.13 -1.26 -4.62 120.64 113.95 1p6t n GLU 144 Ca 0.00 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1p6t n GLU 144 Cb 0.00 -5.71 0.00 0.00 0.27 0.00 0.00 31.44 26.00 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1p6t n GLN 145 N -3.91 0.00 -2.37 5.31 6.02 -1.26 -5.02 117.38 116.15 1p6t n GLN 145 Ca -0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.84 1p6t n GLN 145 Cb 0.62 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.98 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 -2.92 -1.36 -3.33 1.08 8.00 -1.26 -4.99 116.55 111.77 1p6t n ASP 146 Ca 0.00 -2.15 -0.24 0.00 0.71 0.00 0.00 54.79 53.11 1p6t n ASP 146 Cb 0.00 0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1p6t n SER 147 N -1.27 -4.52 0.46 -2.24 2.88 -1.25 -4.89 113.62 102.78 1p6t n SER 147 Ca -0.19 -0.40 -0.18 0.00 -1.33 0.00 0.00 58.87 56.76 1p6t n SER 147 Cb 0.84 -3.69 -0.09 0.00 -0.75 0.00 0.00 64.21 60.52 1p6t n SER 147 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1p6t h ILE 148 N -1.21 0.02 -6.07 2.46 2.04 -1.85 -3.45 117.51 109.45 1p6t h ILE 148 Ca -0.47 -0.13 -0.40 0.00 1.00 0.00 0.00 64.86 64.85 1p6t h ILE 148 Cb 1.32 0.03 0.09 0.00 -0.74 0.00 0.00 36.82 37.51 1p6t h ILE 148 CO 0.56 0.00 -0.89 1.21 0.00 0.00 0.00 178.15 179.03 1p6t n GLU 149 N -5.55 -2.59 0.00 2.37 4.07 -1.26 -4.85 120.64 112.83 1p6t n GLU 149 Ca -0.15 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1p6t n GLU 149 Cb 0.46 -4.75 0.00 0.00 -0.06 0.00 0.00 31.44 27.10 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p6t n GLY 150 N -1.60 3.21 3.81 8.31 0.00 -1.26 -5.12 105.19 112.54 1p6t n GLY 150 Ca -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19