#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 3.57 -0.51 3.17 1.02 -1.26 -4.02 118.68 120.65 1p6t s LEU 2 Ca 0.00 1.75 -0.06 0.00 0.02 0.00 0.00 54.13 55.83 1p6t s LEU 2 Cb 0.00 -3.52 0.01 0.00 0.02 0.00 0.00 46.19 42.70 1p6t s LEU 2 CO 0.00 -1.76 0.56 -1.20 0.02 0.00 0.00 176.35 173.96 1p6t n SER 3 N 10.71 -7.02 -2.83 2.29 7.64 -1.26 -4.84 113.62 118.32 1p6t n SER 3 Ca 0.26 0.19 -0.18 0.00 1.01 0.00 0.00 58.87 60.15 1p6t n SER 3 Cb 0.45 -4.72 -0.05 0.00 -1.01 0.00 0.00 64.21 58.88 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6t n GLU 4 N -1.03 1.89 -1.50 1.43 -0.58 -1.26 -4.90 120.64 114.70 1p6t n GLU 4 Ca 0.05 -1.20 -0.32 0.00 -0.42 0.00 0.00 57.16 55.26 1p6t n GLU 4 Cb 0.45 -2.24 0.07 0.00 -0.57 0.00 0.00 31.44 29.15 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 2.72 2.48 0.02 3.49 -1.52 -1.26 -4.42 119.66 121.16 1p6t s GLN 5 Ca 0.42 1.31 0.02 0.00 -1.95 0.00 0.00 55.36 55.16 1p6t s GLN 5 Cb 0.14 -1.92 -0.01 0.00 -0.22 0.00 0.00 33.01 31.00 1p6t s GLN 5 CO -0.02 -1.49 -0.06 -1.59 -0.25 0.00 0.00 175.29 171.88 1p6t s LYS 6 N -4.46 0.47 0.50 2.91 0.00 -0.20 -4.96 119.74 114.00 1p6t s LYS 6 Ca 0.65 -0.43 -0.08 0.00 0.00 0.00 0.00 55.97 56.11 1p6t s LYS 6 Cb -0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 37.83 37.23 1p6t s LYS 6 CO 0.48 0.09 0.85 -1.83 0.00 0.00 0.00 175.35 174.94 1p6t s GLU 7 N -0.74 3.62 -0.22 1.78 -1.05 -1.26 -1.51 118.70 119.31 1p6t s GLU 7 Ca -0.03 0.42 -0.03 0.00 -0.15 0.00 0.00 54.97 55.17 1p6t s GLU 7 Cb -0.05 -2.29 0.11 0.00 -0.44 0.00 0.00 34.13 31.45 1p6t s GLU 7 CO 0.00 -0.27 0.27 -1.50 0.95 0.00 0.00 175.26 174.71 1p6t s ILE 8 N -2.78 -0.41 -0.17 1.83 2.07 0.15 -4.93 121.20 116.96 1p6t s ILE 8 Ca 0.50 -0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.45 1p6t s ILE 8 Cb -0.10 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 1p6t s ILE 8 CO 0.44 -0.20 0.45 0.00 -1.91 0.00 0.00 174.94 173.72 1p6t s ALA 9 N 2.39 3.53 0.18 1.50 0.00 -1.26 -1.67 121.76 126.43 1p6t s ALA 9 Ca 0.09 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 1p6t s ALA 9 Cb -0.16 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1p6t s ALA 9 CO -0.14 -0.23 0.24 -1.64 0.00 0.00 0.00 175.76 173.99 1p6t s MET 10 N 1.15 1.18 -0.20 0.00 1.00 0.45 -3.35 119.30 119.53 1p6t s MET 10 Ca 0.22 -1.34 -0.07 0.00 0.00 0.00 0.00 55.69 54.51 1p6t s MET 10 Cb -0.15 0.34 -0.03 0.00 0.00 0.00 0.00 34.83 34.99 1p6t s MET 10 CO 0.09 -0.42 0.05 -1.14 0.00 0.00 0.00 175.02 173.60 1p6t s GLN 11 N -4.03 3.82 0.13 2.03 0.74 -1.26 -0.18 119.66 120.90 1p6t s GLN 11 Ca 0.24 -0.42 0.08 0.00 0.05 0.00 0.00 55.36 55.31 1p6t s GLN 11 Cb 0.04 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1p6t s GLN 11 CO 0.04 0.10 -0.19 0.54 -0.55 0.00 0.00 175.29 175.23 1p6t s VAL 12 N 0.83 1.70 0.36 1.34 0.11 -1.26 -0.81 120.40 122.66 1p6t s VAL 12 Ca 0.03 -1.70 0.09 0.00 -2.93 0.00 0.00 61.98 57.46 1p6t s VAL 12 Cb -0.14 -1.65 -0.06 0.00 -1.53 0.00 0.00 36.38 32.99 1p6t s VAL 12 CO 0.02 -0.20 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.11 1p6t s SER 13 N -2.26 3.92 0.00 3.54 0.01 0.56 -4.76 113.70 114.71 1p6t s SER 13 Ca 0.10 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1p6t s SER 13 Cb -0.08 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1p6t s SER 13 CO 0.05 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1p6t n GLY 14 N -0.89 0.91 3.57 3.44 0.00 -1.26 -1.75 105.19 109.20 1p6t n GLY 14 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.44 2.86 0.57 1.61 -1.94 -1.26 -4.81 119.30 115.89 1p6t s MET 15 Ca 0.00 0.87 0.36 0.00 -1.71 0.00 0.00 55.69 55.21 1p6t s MET 15 Cb 0.00 -4.32 1.93 0.00 2.01 0.00 0.00 34.83 34.46 1p6t s MET 15 CO 0.00 -2.44 2.08 1.15 -0.01 0.00 0.00 175.02 175.80 1p6t h THR 16 N 6.86 0.00 0.00 2.05 2.02 -1.97 -3.46 112.91 118.41 1p6t h THR 16 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1p6t h THR 16 Cb 1.16 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1p6t h THR 16 CO 1.16 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.05 1p6t s ALA 18 N -2.00 -2.03 0.00 0.00 0.00 -1.26 -4.97 121.76 111.50 1p6t s ALA 18 Ca 0.00 2.36 0.00 0.00 0.00 0.00 0.00 51.96 54.32 1p6t s ALA 18 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1p6t s ALA 18 CO 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.03 1p6t n ALA 19 N 5.01 0.00 0.23 0.00 0.00 -1.26 -4.69 120.51 119.80 1p6t n ALA 19 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1p6t n ALA 19 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.17 -0.43 -0.74 0.00 0.00 -1.93 -1.49 119.26 114.51 1p6t h ALA 21 Ca -0.06 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1p6t h ALA 21 Cb 0.50 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1p6t h ALA 21 CO 0.09 -0.87 0.49 0.00 0.00 0.00 0.00 179.25 178.96 1p6t h ALA 22 N 0.47 1.76 -0.43 0.00 0.00 -1.74 0.18 119.26 119.49 1p6t h ALA 22 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 22 Cb 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1p6t h ALA 22 CO -0.65 0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.00 1p6t h ARG 23 N 0.71 0.57 0.57 0.00 2.47 0.39 0.12 114.38 119.21 1p6t h ARG 23 Ca 0.33 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.99 1p6t h ARG 23 Cb 0.36 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1p6t h ARG 23 CO -0.12 0.38 -0.27 0.82 0.56 0.00 0.00 179.97 181.34 1p6t h ILE 24 N 0.58 0.42 -0.41 2.04 2.04 0.09 0.15 117.51 122.42 1p6t h ILE 24 Ca 0.16 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1p6t h ILE 24 Cb -0.06 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 36.40 1p6t h ILE 24 CO -0.03 0.02 -0.18 -0.33 0.00 0.00 0.00 178.15 177.63 1p6t h GLU 25 N -0.85 -0.09 -0.11 2.37 5.08 -0.53 0.25 114.58 120.70 1p6t h GLU 25 Ca -0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1p6t h GLU 25 Cb 0.62 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1p6t h GLU 25 CO 0.13 -0.06 0.04 -0.22 -1.00 0.00 0.00 179.01 177.90 1p6t h LYS 26 N -0.10 0.17 -0.78 2.33 3.64 -0.76 0.13 116.57 121.21 1p6t h LYS 26 Ca 0.20 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1p6t h LYS 26 Cb 0.40 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1p6t h LYS 26 CO -0.47 0.28 0.46 0.78 -2.27 0.00 0.00 179.45 178.23 1p6t h GLY 27 N 0.02 1.16 1.16 5.01 0.00 0.30 -2.06 103.07 108.66 1p6t h GLY 27 Ca 0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 1p6t h GLY 27 CO -0.00 0.22 -0.55 1.41 0.00 0.00 0.00 176.54 177.62 1p6t h LEU 28 N 0.85 0.98 -2.34 3.11 -0.00 -0.40 -2.88 115.31 114.63 1p6t h LEU 28 Ca 0.34 -0.52 0.01 0.00 -0.00 0.00 0.00 57.88 57.71 1p6t h LEU 28 Cb 0.18 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1p6t h LEU 28 CO -0.18 1.33 0.22 0.50 -0.00 0.00 0.00 178.44 180.31 1p6t h LYS 29 N 0.68 0.00 0.00 1.13 1.63 -0.05 0.64 116.57 120.60 1p6t h LYS 29 Ca 0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1p6t h LYS 29 Cb 1.16 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1p6t h LYS 29 CO 0.12 0.00 -0.04 -0.09 -3.45 0.00 0.00 179.45 175.99 1p6t h ARG 30 N 0.00 0.00 -6.95 1.90 9.65 -1.21 -3.44 114.38 114.33 1p6t h ARG 30 Ca 0.02 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.43 1p6t h ARG 30 Cb 0.45 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1p6t h ARG 30 CO -0.00 0.04 0.37 -1.64 2.80 0.00 0.00 179.97 181.55 1p6t s MET 31 N -4.83 4.35 0.03 0.20 -1.94 0.22 -5.00 119.30 112.33 1p6t s MET 31 Ca -0.05 1.36 -0.21 0.00 -1.71 0.00 0.00 55.69 55.08 1p6t s MET 31 Cb 0.16 -2.58 -0.15 0.00 2.01 0.00 0.00 34.83 34.27 1p6t s MET 31 CO 0.64 0.06 1.35 -1.00 -0.01 0.00 0.00 175.02 176.06 1p6t h PRO 32 N 2.67 0.27 0.00 2.03 0.13 -1.87 -3.21 132.00 132.03 1p6t h PRO 32 Ca -0.48 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1p6t h PRO 32 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p6t h PRO 32 CO 0.63 0.65 0.00 0.78 -0.23 0.00 0.00 178.00 179.83 1p6t h GLY 33 N -0.10 0.00 -7.15 1.56 0.00 -1.89 -3.41 103.07 92.08 1p6t h GLY 33 Ca 0.02 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.81 1p6t h GLY 33 CO 0.02 0.00 1.44 0.14 0.00 0.00 0.00 176.54 178.15 1p6t s VAL 34 N -3.31 3.19 -0.17 4.60 1.01 -1.21 -0.46 120.40 124.04 1p6t s VAL 34 Ca 0.05 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 1p6t s VAL 34 Cb 0.10 -3.31 -0.23 0.00 0.00 0.00 0.00 36.38 32.94 1p6t s VAL 34 CO 0.47 -0.23 0.54 0.74 0.00 0.00 0.00 175.10 176.61 1p6t h THR 35 N 7.14 1.42 -1.78 3.92 2.02 -1.33 -3.46 112.91 120.84 1p6t h THR 35 Ca -0.33 -2.28 -0.24 0.00 0.77 0.00 0.00 66.41 64.33 1p6t h THR 35 Cb 1.22 2.90 -0.29 0.00 -1.74 0.00 0.00 68.15 70.23 1p6t h THR 35 CO 1.06 0.49 -0.58 -0.62 0.37 0.00 0.00 175.52 176.24 1p6t s ASP 36 N -6.50 0.63 -0.33 4.18 2.15 -0.13 -5.03 116.67 111.66 1p6t s ASP 36 Ca -0.23 -0.70 -0.17 0.00 0.43 0.00 0.00 52.55 51.88 1p6t s ASP 36 Cb 0.01 0.95 -0.01 0.00 -0.30 0.00 0.00 42.92 43.57 1p6t s ASP 36 CO 0.65 -0.33 0.44 0.00 -0.17 0.00 0.00 175.17 175.76 1p6t s ALA 37 N 2.26 3.51 0.08 3.66 0.00 -1.26 -0.53 121.76 129.48 1p6t s ALA 37 Ca 0.11 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1p6t s ALA 37 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1p6t s ALA 37 CO -0.24 -1.03 -0.15 -0.80 0.00 0.00 0.00 175.76 173.54 1p6t s ASN 38 N 1.71 1.85 -0.11 0.00 0.01 -0.65 -4.78 114.94 112.97 1p6t s ASN 38 Ca 0.16 -0.66 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 1p6t s ASN 38 Cb -0.16 -0.06 0.06 0.00 0.41 0.00 0.00 41.25 41.49 1p6t s ASN 38 CO 0.12 -0.07 0.22 0.54 -1.51 0.00 0.00 177.10 176.40 1p6t s VAL 39 N -1.42 -0.31 -1.16 1.60 0.11 -1.26 -0.35 120.40 117.59 1p6t s VAL 39 Ca 0.01 0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 59.15 1p6t s VAL 39 Cb -0.09 -0.38 0.08 0.00 -1.53 0.00 0.00 36.38 34.45 1p6t s VAL 39 CO 0.03 0.12 1.57 0.20 -3.33 0.00 0.00 175.10 173.68 1p6t s ASN 40 N 2.21 6.72 0.55 3.54 -0.87 0.86 -4.78 114.94 123.17 1p6t s ASN 40 Ca 0.00 -2.10 0.36 0.00 -1.57 0.00 0.00 52.86 49.55 1p6t s ASN 40 Cb -0.12 -2.55 1.53 0.00 -0.02 0.00 0.00 41.25 40.09 1p6t s ASN 40 CO -0.08 -1.25 1.80 0.17 -2.57 0.00 0.00 177.10 175.17 1p6t h LEU 41 N 12.26 0.00 -1.04 0.60 -0.00 -1.95 0.13 115.31 125.31 1p6t h LEU 41 Ca 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.14 1p6t h LEU 41 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1p6t h LEU 41 CO 1.41 0.00 -0.32 0.00 -0.00 0.00 0.00 178.44 179.53 1p6t h ALA 42 N 1.39 1.03 0.00 0.17 0.00 -1.95 -3.12 119.26 116.78 1p6t h ALA 42 Ca 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1p6t h ALA 42 Cb 2.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1p6t h ALA 42 CO -0.01 0.40 -0.08 0.25 0.00 0.00 0.00 179.25 179.81 1p6t n THR 43 N -3.51 0.98 -3.67 0.00 -2.24 -0.46 -5.03 114.28 100.34 1p6t n THR 43 Ca -0.00 -1.11 -0.26 0.00 -2.27 0.00 0.00 64.05 60.41 1p6t n THR 43 Cb 0.47 0.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.66 -1.20 -3.55 -0.78 1.02 0.33 -5.01 120.64 110.79 1p6t n GLU 44 Ca 0.05 0.69 -0.18 0.00 -0.02 0.00 0.00 57.16 57.71 1p6t n GLU 44 Cb 0.50 -3.49 -0.13 0.00 -0.02 0.00 0.00 31.44 28.29 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 -3.21 -0.32 -0.23 2.62 2.01 -0.70 -4.20 115.64 111.60 1p6t s THR 45 Ca 0.22 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.02 1p6t s THR 45 Cb -0.09 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1p6t s THR 45 CO 0.87 -0.11 0.66 0.54 -0.69 0.00 0.00 174.62 175.89 1p6t s VAL 46 N 2.33 4.98 -0.37 3.82 0.11 0.75 -0.10 120.40 131.92 1p6t s VAL 46 Ca 0.05 1.22 0.04 0.00 -2.93 0.00 0.00 61.98 60.36 1p6t s VAL 46 Cb -0.15 -3.97 0.11 0.00 -1.53 0.00 0.00 36.38 30.84 1p6t s VAL 46 CO -0.10 0.05 0.09 0.54 -3.33 0.00 0.00 175.10 172.34 1p6t s ASN 47 N 1.35 4.73 -0.18 3.54 4.22 0.52 -0.41 114.94 128.70 1p6t s ASN 47 Ca 0.28 -2.29 -0.08 0.00 -2.14 0.00 0.00 52.86 48.63 1p6t s ASN 47 Cb -0.16 -1.64 -0.04 0.00 1.28 0.00 0.00 41.25 40.69 1p6t s ASN 47 CO 0.09 -0.36 0.10 -0.69 -2.04 0.00 0.00 177.10 174.19 1p6t s VAL 48 N 0.73 5.12 -0.19 3.54 1.01 -0.67 -1.64 120.40 128.29 1p6t s VAL 48 Ca 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1p6t s VAL 48 Cb -0.20 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1p6t s VAL 48 CO -0.07 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 174.80 1p6t s ILE 49 N 0.23 3.28 0.30 2.22 1.01 0.31 -0.67 121.20 127.88 1p6t s ILE 49 Ca 0.06 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1p6t s ILE 49 Cb -0.12 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.91 1p6t s ILE 49 CO -0.01 0.46 0.56 -0.72 0.00 0.00 0.00 174.94 175.23 1p6t s TYR 50 N 1.09 0.44 -0.22 3.97 -0.85 -0.57 -0.95 117.35 120.25 1p6t s TYR 50 Ca 0.01 -0.83 -0.19 0.00 -0.52 0.00 0.00 57.07 55.54 1p6t s TYR 50 Cb -0.15 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.45 1p6t s TYR 50 CO -0.01 -1.16 0.55 0.34 -1.52 0.00 0.00 175.55 173.75 1p6t s ASP 51 N -3.07 6.55 0.00 -0.18 -1.08 0.39 -1.04 116.67 118.24 1p6t s ASP 51 Ca 0.22 0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.92 1p6t s ASP 51 Cb -0.02 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 1p6t s ASP 51 CO 0.12 -0.24 1.34 -0.81 0.52 0.00 0.00 175.17 176.10 1p6t n PRO 52 N 5.12 0.95 -0.61 4.34 -0.04 -1.26 -3.21 135.00 140.28 1p6t n PRO 52 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1p6t n PRO 52 Cb 0.50 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.94 2.31 0.00 0.55 0.00 -1.26 -4.89 120.51 118.16 1p6t n ALA 53 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1p6t n ALA 53 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 0.01 0.00 0.00 0.00 1.02 -1.20 -5.05 120.64 115.43 1p6t n GLU 54 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1p6t n GLU 54 Cb 0.57 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 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 -2.43 0.00 0.00 2.62 -1.04 -1.24 -4.83 114.28 107.36 1p6t n THR 55 Ca 0.00 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1p6t n THR 55 Cb 0.19 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 2.79 2.57 0.24 3.41 0.00 -1.26 -4.63 105.19 108.31 1p6t n GLY 56 Ca 0.00 -1.22 0.13 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 1.49 -0.30 -0.30 2.61 5.66 -1.26 0.24 114.28 122.43 1p6t n THR 57 Ca 0.00 1.54 -0.02 0.00 -3.05 0.00 0.00 64.05 62.53 1p6t n THR 57 Cb 0.00 -2.30 0.10 0.00 -1.55 0.00 0.00 70.33 66.58 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 1.42 1.08 -0.15 1.79 0.00 -1.90 0.21 119.26 121.71 1p6t h ALA 58 Ca 0.47 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 1p6t h ALA 58 Cb 1.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1p6t h ALA 58 CO -0.65 0.33 -0.49 0.00 0.00 0.00 0.00 179.25 178.44 1p6t h ALA 59 N 1.35 0.88 0.29 0.00 0.00 -0.47 0.15 119.26 121.46 1p6t h ALA 59 Ca 0.33 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 59 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1p6t h ALA 59 CO -0.12 0.66 -0.25 0.82 0.00 0.00 0.00 179.25 180.37 1p6t h ILE 60 N 0.31 0.48 -0.81 0.00 1.08 -0.65 -0.07 117.51 117.85 1p6t h ILE 60 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1p6t h ILE 60 Cb 0.98 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 1p6t h ILE 60 CO 0.08 0.00 0.36 0.06 -0.69 0.00 0.00 178.15 177.96 1p6t h GLN 61 N -0.55 1.19 -0.67 2.37 3.07 -0.89 -1.42 115.11 118.21 1p6t h GLN 61 Ca -0.02 -0.20 0.14 0.00 0.09 0.00 0.00 58.65 58.67 1p6t h GLN 61 Cb 0.49 -0.20 -0.10 0.00 0.08 0.00 0.00 27.48 27.74 1p6t h GLN 61 CO -0.02 0.94 0.09 1.49 0.09 0.00 0.00 178.83 181.42 1p6t h GLU 62 N 1.17 0.19 -0.20 0.06 4.81 -0.28 0.12 114.58 120.45 1p6t h GLU 62 Ca 0.28 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1p6t h GLU 62 Cb 0.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1p6t h GLU 62 CO -0.03 0.13 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.07 1p6t h LYS 63 N 0.20 0.42 -0.29 1.92 1.63 0.01 0.12 116.57 120.57 1p6t h LYS 63 Ca 0.36 -0.18 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 1p6t h LYS 63 Cb 0.60 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.14 1p6t h LYS 63 CO -0.51 0.70 -0.22 0.82 -3.45 0.00 0.00 179.45 176.79 1p6t h ILE 64 N 0.12 0.42 0.44 2.00 2.04 -0.71 0.62 117.51 122.44 1p6t h ILE 64 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1p6t h ILE 64 Cb 0.57 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1p6t h ILE 64 CO 0.03 0.00 -0.23 -0.33 0.00 0.00 0.00 178.15 177.62 1p6t h GLU 65 N -0.20 -0.59 -0.16 2.37 5.08 -0.45 -2.44 114.58 118.20 1p6t h GLU 65 Ca 0.15 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1p6t h GLU 65 Cb 0.44 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1p6t h GLU 65 CO -0.41 -0.39 0.10 0.87 -1.00 0.00 0.00 179.01 178.18 1p6t h LYS 66 N -0.61 0.21 0.00 2.33 1.57 -0.62 0.14 116.57 119.58 1p6t h LYS 66 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1p6t h LYS 66 Cb 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1p6t h LYS 66 CO 0.08 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.38 1p6t n LEU 67 N -4.51 0.37 0.00 2.94 7.99 0.20 -4.84 117.00 119.14 1p6t n LEU 67 Ca -0.01 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 1p6t n LEU 67 Cb 0.08 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 1p6t n LEU 67 CO 0.34 -0.62 0.00 0.61 -1.51 0.00 0.00 177.39 176.22 1p6t n GLY 68 N -0.74 0.90 3.45 -0.72 0.00 0.49 -5.04 105.19 103.53 1p6t n GLY 68 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.75 1.76 -0.09 1.61 1.51 -1.12 -4.85 117.35 114.42 1p6t s TYR 69 Ca 0.00 -1.27 -0.06 0.00 -1.01 0.00 0.00 57.07 54.72 1p6t s TYR 69 Cb 0.00 -1.08 0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1p6t s TYR 69 CO 0.00 -0.33 0.22 -1.58 -1.11 0.00 0.00 175.55 172.75 1p6t s HIS 70 N -3.33 -0.27 0.04 2.71 2.46 -0.72 -4.30 115.29 111.88 1p6t s HIS 70 Ca 0.29 0.66 -0.26 0.00 0.47 0.00 0.00 55.06 56.22 1p6t s HIS 70 Cb 0.04 0.05 -0.05 0.00 -0.13 0.00 0.00 32.58 32.49 1p6t s HIS 70 CO 0.16 -0.17 0.80 0.14 -2.47 0.00 0.00 174.74 173.20 1p6t s VAL 71 N 0.68 4.74 -1.36 0.89 -7.23 -1.26 -0.32 120.40 116.54 1p6t s VAL 71 Ca -0.05 1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 61.73 1p6t s VAL 71 Cb -0.06 -4.15 0.10 0.00 0.56 0.00 0.00 36.38 32.83 1p6t s VAL 71 CO -0.04 0.33 2.29 0.52 -0.31 0.00 0.00 175.10 177.89 1p6t n VAL 72 N 2.97 4.67 -4.59 1.32 0.31 0.00 -4.89 118.33 118.12 1p6t n VAL 72 Ca -0.01 -3.99 -0.24 0.00 -0.01 0.00 0.00 64.34 60.08 1p6t n VAL 72 Cb 0.50 -2.29 -0.16 0.00 -0.91 0.00 0.00 33.84 30.98 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 0.18 1.12 -0.05 2.52 2.01 -1.26 -4.38 115.64 115.78 1p6t s THR 73 Ca 0.51 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1p6t s THR 73 Cb 0.15 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1p6t s THR 73 CO -0.06 0.34 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.38 1p6t s GLU 74 N 0.47 2.43 -1.38 4.92 0.41 -0.48 -4.86 118.70 120.21 1p6t s GLU 74 Ca -0.10 -0.86 -0.14 0.00 -0.41 0.00 0.00 54.97 53.46 1p6t s GLU 74 Cb -0.14 -2.19 0.08 0.00 -1.78 0.00 0.00 34.13 30.11 1p6t s GLU 74 CO 0.03 0.48 2.02 0.36 -0.49 0.00 0.00 175.26 177.66 1p6t n LYS 75 N 2.67 3.12 -2.36 1.61 2.85 -1.26 -2.47 118.16 122.33 1p6t n LYS 75 Ca -0.17 -3.00 -0.32 0.00 -1.05 0.00 0.00 58.31 53.77 1p6t n LYS 75 Cb 0.52 -3.22 -0.02 0.00 -0.65 0.00 0.00 35.03 31.65 1p6t n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p6t s ALA 76 N 2.61 3.12 -0.09 0.58 0.00 0.41 -4.81 121.76 123.57 1p6t s ALA 76 Ca 0.46 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.52 1p6t s ALA 76 Cb 0.10 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1p6t s ALA 76 CO -0.04 -0.30 -0.22 -1.21 0.00 0.00 0.00 175.76 173.99 1p6t s GLU 77 N -4.29 2.81 0.15 0.00 2.02 -1.26 -0.27 118.70 117.86 1p6t s GLU 77 Ca 0.57 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.82 1p6t s GLU 77 Cb -0.10 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1p6t s GLU 77 CO 0.36 0.16 -0.15 -0.06 0.02 0.00 0.00 175.26 175.59 1p6t s PHE 78 N 0.38 1.56 0.04 1.61 0.40 0.44 -1.30 117.98 121.11 1p6t s PHE 78 Ca -0.18 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1p6t s PHE 78 Cb -0.17 -0.79 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 1p6t s PHE 78 CO 0.08 0.22 -0.12 0.34 0.70 0.00 0.00 175.22 176.45 1p6t s ASP 79 N -2.69 4.27 -0.04 1.36 -1.08 0.75 -0.51 116.67 118.73 1p6t s ASP 79 Ca 0.13 -0.31 0.06 0.00 -0.52 0.00 0.00 52.55 51.92 1p6t s ASP 79 Cb -0.04 -0.85 -0.02 0.00 -1.46 0.00 0.00 42.92 40.55 1p6t s ASP 79 CO 0.04 0.25 -0.22 -0.63 0.52 0.00 0.00 175.17 175.13 1p6t s ILE 80 N -1.03 2.35 -0.70 4.11 1.01 0.14 -0.09 121.20 126.99 1p6t s ILE 80 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1p6t s ILE 80 Cb -0.11 -1.86 0.17 0.00 0.01 0.00 0.00 42.46 40.68 1p6t s ILE 80 CO 0.08 0.58 0.51 -1.61 0.00 0.00 0.00 174.94 174.51 1p6t s GLU 81 N -0.53 2.64 0.00 2.79 2.02 -0.97 -4.73 118.70 119.93 1p6t s GLU 81 Ca 0.07 -2.94 0.00 0.00 0.02 0.00 0.00 54.97 52.12 1p6t s GLU 81 Cb -0.11 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1p6t s GLU 81 CO 0.00 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.48 1p6t n GLY 82 N 2.76 0.24 0.05 -1.39 0.00 -1.26 -3.67 105.19 101.91 1p6t n GLY 82 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.72 -1.82 1.61 0.00 -1.26 -4.73 117.12 111.64 1p6t n MET 83 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 57.70 57.16 1p6t n MET 83 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 31.72 1p6t n MET 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1p6t n THR 84 N -2.43 3.48 -3.33 3.17 -1.04 -1.26 -1.36 114.28 111.51 1p6t n THR 84 Ca -0.15 -3.11 -0.23 0.00 -2.04 0.00 0.00 64.05 58.51 1p6t n THR 84 Cb 0.79 -2.58 -0.09 0.00 -1.82 0.00 0.00 70.33 66.63 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 3.36 0.00 -2.65 0.00 0.00 -1.26 -3.37 120.51 116.60 1p6t n ALA 86 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 1p6t n ALA 86 Cb 0.46 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 1.91 0.00 0.00 0.00 -1.26 -4.99 120.51 116.17 1p6t n ALA 87 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 1p6t n ALA 87 Cb 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 0.90 0.13 -0.58 0.00 0.00 -1.78 0.18 119.26 118.11 1p6t h ALA 89 Ca -0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 89 Cb 1.17 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1p6t h ALA 89 CO 0.12 -0.50 0.32 -0.91 0.00 0.00 0.00 179.25 178.27 1p6t h ASN 90 N -0.05 0.48 -0.24 0.00 2.35 -1.73 0.31 115.58 116.70 1p6t h ASN 90 Ca 0.13 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1p6t h ASN 90 Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1p6t h ASN 90 CO -0.30 0.33 0.13 -0.09 -1.65 0.00 0.00 177.43 175.85 1p6t h ARG 91 N 0.61 0.34 -0.87 0.81 2.43 -0.60 -2.78 114.38 114.32 1p6t h ARG 91 Ca 0.25 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1p6t h ARG 91 Cb 0.12 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1p6t h ARG 91 CO -0.15 0.31 0.57 0.97 -1.51 0.00 0.00 179.97 180.16 1p6t h ILE 92 N 0.29 1.06 0.38 1.20 2.10 0.19 -2.58 117.51 120.15 1p6t h ILE 92 Ca 0.09 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.67 1p6t h ILE 92 Cb 0.06 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 35.78 1p6t h ILE 92 CO -0.01 0.18 -0.29 -0.08 -1.08 0.00 0.00 178.15 176.87 1p6t h GLU 93 N 0.98 -0.62 -1.05 2.19 4.22 -0.14 0.22 114.58 120.39 1p6t h GLU 93 Ca 0.37 0.04 0.27 0.00 0.08 0.00 0.00 59.36 60.13 1p6t h GLU 93 Cb 0.20 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 1p6t h GLU 93 CO -0.14 -0.41 0.67 0.87 -2.18 0.00 0.00 179.01 177.82 1p6t h LYS 94 N -0.64 0.39 0.14 1.92 6.56 -1.29 0.21 116.57 123.85 1p6t h LYS 94 Ca -0.05 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 1p6t h LYS 94 Cb 0.53 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1p6t h LYS 94 CO 0.02 0.26 -0.06 0.00 -2.06 0.00 0.00 179.45 177.60 1p6t h ARG 95 N 0.40 -0.18 -0.77 3.15 -0.00 -1.01 -3.35 114.38 112.63 1p6t h ARG 95 Ca 0.61 0.01 0.19 0.00 -0.50 0.00 0.00 59.98 60.29 1p6t h ARG 95 Cb 1.52 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 31.49 1p6t h ARG 95 CO -0.32 -0.12 0.53 -0.07 0.00 0.00 0.00 179.97 180.00 1p6t h LEU 96 N -0.41 0.19 -1.06 3.04 3.38 0.00 -1.94 115.31 118.52 1p6t h LEU 96 Ca -0.02 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.37 1p6t h LEU 96 Cb 0.14 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.70 1p6t h LEU 96 CO 0.03 0.09 0.60 -1.13 0.09 0.00 0.00 178.44 178.11 1p6t h ASN 97 N 0.20 0.36 -0.98 -0.43 -0.73 -0.73 -3.17 115.58 110.09 1p6t h ASN 97 Ca 0.38 0.22 -0.31 0.00 1.87 0.00 0.00 56.30 58.47 1p6t h ASN 97 Cb 1.20 0.21 -0.22 0.00 0.27 0.00 0.00 38.32 39.78 1p6t h ASN 97 CO -0.07 -0.32 -0.66 2.29 -0.37 0.00 0.00 177.43 178.29 1p6t n LYS 98 N -5.12 0.61 0.45 6.67 0.00 -0.74 -3.91 118.16 116.12 1p6t n LYS 98 Ca 0.36 -2.28 -0.18 0.00 -0.00 0.00 0.00 58.31 56.21 1p6t n LYS 98 Cb 1.24 -1.45 -0.09 0.00 -0.00 0.00 0.00 35.03 34.72 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 3.70 0.02 0.00 0.58 2.04 -1.51 -3.48 117.51 118.86 1p6t h ILE 99 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1p6t h ILE 99 Cb 1.01 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1p6t h ILE 99 CO 0.26 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.62 1p6t n GLU 100 N -5.55 0.00 -1.24 2.37 0.00 -1.26 -4.98 120.64 109.99 1p6t n GLU 100 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.78 1p6t n GLU 100 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.80 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 3.72 3.26 8.31 0.00 -1.21 -4.48 105.19 114.78 1p6t n GLY 101 Ca 0.00 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 0.68 3.05 -0.03 1.61 1.01 -1.26 -0.80 120.40 124.66 1p6t s VAL 102 Ca 0.66 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1p6t s VAL 102 Cb 0.28 -2.39 -0.20 0.00 0.00 0.00 0.00 36.38 34.07 1p6t s VAL 102 CO -0.06 0.41 1.22 0.00 0.00 0.00 0.00 175.10 176.67 1p6t h ALA 103 N 8.07 -0.05 -2.79 5.51 0.00 -0.59 -3.41 119.26 125.99 1p6t h ALA 103 Ca -0.41 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1p6t h ALA 103 Cb 1.15 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1p6t h ALA 103 CO 0.61 -0.27 -0.13 -0.80 0.00 0.00 0.00 179.25 178.65 1p6t s ASN 104 N -5.65 -0.10 -0.47 0.00 0.01 -0.94 -4.81 114.94 102.99 1p6t s ASN 104 Ca -0.16 -0.80 0.05 0.00 -0.71 0.00 0.00 52.86 51.25 1p6t s ASN 104 Cb 0.01 0.55 0.25 0.00 0.41 0.00 0.00 41.25 42.47 1p6t s ASN 104 CO 0.65 -1.06 0.95 0.00 -1.51 0.00 0.00 177.10 176.13 1p6t n ALA 105 N -0.33 -1.55 -2.05 0.60 0.00 -1.26 -0.44 120.51 115.48 1p6t n ALA 105 Ca -0.05 -1.30 -0.41 0.00 0.00 0.00 0.00 53.44 51.67 1p6t n ALA 105 Cb 0.62 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 0.60 4.41 -0.00 0.00 0.04 -1.13 -4.52 135.00 134.39 1p6t s PRO 106 Ca 0.30 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.36 1p6t s PRO 106 Cb 0.23 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1p6t s PRO 106 CO -0.21 -0.23 0.00 0.08 0.04 0.00 0.00 177.00 176.67 1p6t s VAL 107 N 0.20 4.16 0.19 -0.36 1.01 -1.26 -1.01 120.40 123.33 1p6t s VAL 107 Ca 0.57 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1p6t s VAL 107 Cb -0.35 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1p6t s VAL 107 CO 0.37 0.38 0.15 0.20 0.00 0.00 0.00 175.10 176.20 1p6t s ASN 108 N -1.55 5.50 0.00 3.32 -0.87 0.21 -4.99 114.94 116.56 1p6t s ASN 108 Ca 0.19 -0.18 0.09 0.00 -1.57 0.00 0.00 52.86 51.40 1p6t s ASN 108 Cb -0.12 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.25 39.64 1p6t s ASN 108 CO 0.10 0.03 0.49 0.33 -2.57 0.00 0.00 177.10 175.49 1p6t n PHE 109 N -0.62 0.00 -0.12 2.20 7.35 -1.26 -4.12 117.46 120.89 1p6t n PHE 109 Ca -0.08 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.39 1p6t n PHE 109 Cb 0.56 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.29 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 -0.80 1.43 0.34 3.13 0.00 -1.26 -4.59 120.51 118.77 1p6t n ALA 110 Ca 0.03 -1.00 0.12 0.00 0.00 0.00 0.00 53.44 52.59 1p6t n ALA 110 Cb 0.17 0.07 0.17 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.47 0.00 -1.66 0.00 3.38 -2.02 -3.47 115.31 111.06 1p6t h LEU 111 Ca -0.58 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 56.88 1p6t h LEU 111 Cb 1.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1p6t h LEU 111 CO -0.24 0.02 -0.84 -0.62 0.09 0.00 0.00 178.44 176.86 1p6t n GLU 112 N -2.62 -4.47 -4.45 1.13 1.02 -1.26 -4.90 120.64 105.08 1p6t n GLU 112 Ca 0.03 0.54 -0.23 0.00 -0.02 0.00 0.00 57.16 57.49 1p6t n GLU 112 Cb 0.50 -5.04 -0.10 0.00 -0.02 0.00 0.00 31.44 26.78 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 -3.68 1.99 -0.02 2.62 -4.23 -1.26 -0.68 115.64 110.38 1p6t s THR 113 Ca 0.14 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1p6t s THR 113 Cb -0.07 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1p6t s THR 113 CO 0.84 -0.35 0.02 0.54 -0.54 0.00 0.00 174.62 175.14 1p6t s VAL 114 N -2.80 -0.02 0.14 2.29 0.11 0.33 -0.62 120.40 119.84 1p6t s VAL 114 Ca 0.29 0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 59.24 1p6t s VAL 114 Cb 0.01 -0.09 -0.07 0.00 -1.53 0.00 0.00 36.38 34.70 1p6t s VAL 114 CO 0.13 0.08 0.80 -0.89 -3.33 0.00 0.00 175.10 171.88 1p6t s THR 115 N 0.84 4.45 -0.21 5.04 2.01 -0.18 -0.42 115.64 127.16 1p6t s THR 115 Ca -0.07 1.73 -0.02 0.00 0.31 0.00 0.00 61.69 63.65 1p6t s THR 115 Cb -0.10 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1p6t s THR 115 CO -0.02 0.47 -0.10 0.54 -0.69 0.00 0.00 174.62 174.81 1p6t s VAL 116 N -0.81 2.77 -0.70 3.82 0.11 0.63 -2.85 120.40 123.37 1p6t s VAL 116 Ca 0.37 -0.78 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 1p6t s VAL 116 Cb -0.23 -2.27 0.18 0.00 -1.53 0.00 0.00 36.38 32.53 1p6t s VAL 116 CO 0.26 0.41 0.61 -0.70 -3.33 0.00 0.00 175.10 172.35 1p6t s GLU 117 N 1.37 3.15 0.24 1.54 2.12 0.41 -0.44 118.70 127.09 1p6t s GLU 117 Ca 0.04 -2.28 -0.03 0.00 0.36 0.00 0.00 54.97 53.05 1p6t s GLU 117 Cb -0.14 -4.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.02 1p6t s GLU 117 CO -0.07 -1.26 0.27 1.52 -0.54 0.00 0.00 175.26 175.17 1p6t s TYR 118 N 0.47 1.01 -0.52 5.30 1.13 -1.03 0.08 117.35 123.78 1p6t s TYR 118 Ca 0.14 -1.23 -0.16 0.00 -1.41 0.00 0.00 57.07 54.41 1p6t s TYR 118 Cb -0.17 -0.34 0.12 0.00 -1.10 0.00 0.00 41.96 40.47 1p6t s TYR 118 CO -0.05 -0.80 0.47 1.21 -2.51 0.00 0.00 175.55 173.87 1p6t s ASN 119 N -3.15 6.15 0.00 -0.18 3.84 0.02 -1.38 114.94 120.25 1p6t s ASN 119 Ca 0.34 -1.69 0.05 0.00 0.21 0.00 0.00 52.86 51.77 1p6t s ASN 119 Cb 0.04 -2.19 0.33 0.00 -0.55 0.00 0.00 41.25 38.87 1p6t s ASN 119 CO 0.14 -0.80 0.87 -0.81 -2.79 0.00 0.00 177.10 173.70 1p6t n PRO 120 N 5.22 0.60 -0.02 0.43 -0.04 -1.26 -1.09 135.00 138.85 1p6t n PRO 120 Ca -0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 1p6t n PRO 120 Cb 0.41 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.59 1p6t n PRO 120 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1p6t n LYS 121 N -0.64 0.72 0.05 0.54 -0.00 -1.26 -4.54 118.16 113.03 1p6t n LYS 121 Ca 0.04 0.25 -0.22 0.00 -0.00 0.00 0.00 58.31 58.38 1p6t n LYS 121 Cb 0.02 -1.70 -0.14 0.00 -0.00 0.00 0.00 35.03 33.20 1p6t n LYS 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1p6t h GLU 122 N 0.05 0.32 0.00 -1.58 4.57 -1.48 -3.48 114.58 112.98 1p6t h GLU 122 Ca -0.41 -0.55 -0.45 0.00 -1.18 0.00 0.00 59.36 56.76 1p6t h GLU 122 Cb 2.03 0.21 -0.10 0.00 -0.16 0.00 0.00 28.75 30.72 1p6t h GLU 122 CO 0.07 1.27 -0.38 0.00 -1.18 0.00 0.00 179.01 178.78 1p6t n ALA 123 N -2.84 0.49 -3.82 2.92 0.00 -0.96 -4.97 120.51 111.33 1p6t n ALA 123 Ca -0.21 -1.69 -0.07 0.00 0.00 0.00 0.00 53.44 51.47 1p6t n ALA 123 Cb 0.94 1.17 -0.02 0.00 0.00 0.00 0.00 19.45 21.54 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p6t s SER 124 N -3.04 -0.27 0.22 0.00 0.01 -1.26 -4.22 113.70 105.14 1p6t s SER 124 Ca 0.19 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.90 1p6t s SER 124 Cb 0.01 0.69 0.50 0.00 0.21 0.00 0.00 66.02 67.43 1p6t s SER 124 CO 0.13 -1.26 1.14 0.52 0.41 0.00 0.00 173.24 174.18 1p6t n VAL 125 N -0.46 -0.30 -0.27 3.43 0.31 -1.26 0.04 118.33 119.82 1p6t n VAL 125 Ca -0.05 1.61 0.07 0.00 -0.01 0.00 0.00 64.34 65.96 1p6t n VAL 125 Cb 0.60 -2.32 0.22 0.00 -0.91 0.00 0.00 33.84 31.42 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 0.23 -0.07 4.52 0.02 -1.98 0.11 113.55 116.37 1p6t h SER 126 Ca 0.42 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1p6t h SER 126 Cb 0.82 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1p6t h SER 126 CO -0.70 0.05 0.04 -0.78 -1.14 0.00 0.00 176.83 174.30 1p6t h ASP 127 N 0.40 0.07 0.03 3.07 1.82 -0.79 0.10 116.42 121.12 1p6t h ASP 127 Ca 0.45 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.10 1p6t h ASP 127 Cb 0.75 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 1p6t h ASP 127 CO -0.46 0.05 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.10 1p6t h LEU 128 N 0.09 -0.15 -0.37 2.28 3.38 -1.19 0.22 115.31 119.58 1p6t h LEU 128 Ca 0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1p6t h LEU 128 Cb -0.00 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1p6t h LEU 128 CO -0.01 -0.09 0.09 0.11 0.09 0.00 0.00 178.44 178.63 1p6t h LYS 129 N -0.11 0.21 -0.44 1.13 1.57 -0.67 -1.25 116.57 117.01 1p6t h LYS 129 Ca 0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1p6t h LYS 129 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1p6t h LYS 129 CO -0.03 0.14 0.17 1.49 -0.57 0.00 0.00 179.45 180.65 1p6t h GLU 130 N 0.22 0.65 -0.16 3.15 4.81 -0.29 0.12 114.58 123.08 1p6t h GLU 130 Ca 0.17 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1p6t h GLU 130 Cb 0.18 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 1p6t h GLU 130 CO -0.21 0.61 -0.26 0.00 -0.73 0.00 0.00 179.01 178.42 1p6t h ALA 131 N 1.01 -0.23 0.00 2.92 0.00 -0.08 0.93 119.26 123.81 1p6t h ALA 131 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1p6t h ALA 131 Cb 0.20 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1p6t h ALA 131 CO -0.01 -0.72 -0.27 0.28 0.00 0.00 0.00 179.25 178.53 1p6t h VAL 132 N -0.31 1.15 0.07 0.00 2.07 -1.09 -0.70 116.25 117.44 1p6t h VAL 132 Ca 0.11 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1p6t h VAL 132 Cb 0.48 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1p6t h VAL 132 CO -0.34 0.27 -0.14 -0.78 0.02 0.00 0.00 177.57 176.60 1p6t h ASP 133 N 0.00 -0.39 -0.58 0.57 3.58 0.11 0.25 116.42 119.95 1p6t h ASP 133 Ca -0.00 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.55 1p6t h ASP 133 Cb 0.50 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1p6t h ASP 133 CO 0.04 -0.21 0.31 0.11 -2.88 0.00 0.00 179.24 176.61 1p6t h LYS 134 N -0.27 0.57 -0.79 0.28 6.56 -0.20 -0.57 116.57 122.14 1p6t h LYS 134 Ca 0.03 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1p6t h LYS 134 Cb 0.30 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.79 1p6t h LYS 134 CO -0.09 0.37 0.52 -0.07 -2.06 0.00 0.00 179.45 178.13 1p6t h LEU 135 N 0.58 0.90 -0.12 2.94 -0.00 -0.84 -3.47 115.31 115.30 1p6t h LEU 135 Ca 0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1p6t h LEU 135 Cb 0.16 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1p6t h LEU 135 CO -0.17 0.65 0.00 0.61 -0.00 0.00 0.00 178.44 179.52 1p6t n GLY 136 N -1.42 0.87 0.00 0.83 0.00 0.81 -5.09 105.19 101.20 1p6t n GLY 136 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.21 0.00 -3.95 1.61 4.01 -0.70 -5.03 117.16 112.90 1p6t n TYR 137 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1p6t n TYR 137 Cb 0.05 0.00 -0.10 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 1.60 0.46 0.04 -0.72 0.00 -1.24 -4.39 119.74 115.49 1p6t s LYS 138 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 55.97 55.40 1p6t s LYS 138 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 37.83 37.98 1p6t s LYS 138 CO 0.00 -0.10 -0.24 -1.17 0.00 0.00 0.00 175.35 173.84 1p6t s LEU 139 N -1.76 2.16 0.15 2.77 1.98 -1.26 -2.28 118.68 120.44 1p6t s LEU 139 Ca -0.11 -0.56 0.04 0.00 -2.89 0.00 0.00 54.13 50.62 1p6t s LEU 139 Cb -0.05 -1.18 -0.04 0.00 0.66 0.00 0.00 46.19 45.58 1p6t s LEU 139 CO -0.02 0.23 -0.09 -0.54 -1.89 0.00 0.00 176.35 174.04 1p6t s LYS 140 N -1.19 1.08 0.23 1.98 -0.14 0.87 -4.96 119.74 117.61 1p6t s LYS 140 Ca 0.10 -1.47 -0.05 0.00 -1.36 0.00 0.00 55.97 53.19 1p6t s LYS 140 Cb -0.10 -0.60 -0.06 0.00 -1.68 0.00 0.00 37.83 35.40 1p6t s LYS 140 CO 0.02 0.05 0.49 -0.51 -0.76 0.00 0.00 175.35 174.64 1p6t s LEU 141 N -3.18 4.15 -1.29 3.17 1.02 -1.26 -0.18 118.68 121.12 1p6t s LEU 141 Ca 0.18 0.69 -0.19 0.00 0.02 0.00 0.00 54.13 54.84 1p6t s LEU 141 Cb 0.03 -3.47 0.04 0.00 0.02 0.00 0.00 46.19 42.81 1p6t s LEU 141 CO 0.01 -0.09 1.79 0.29 0.02 0.00 0.00 176.35 178.37 1p6t n LYS 142 N -0.49 2.92 0.00 1.70 5.02 -0.42 -4.49 118.16 122.40 1p6t n LYS 142 Ca -0.02 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 1p6t n LYS 142 Cb 0.53 -3.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 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 5.39 1.43 3.77 0.72 0.00 -1.26 -4.28 105.19 110.96 1p6t n GLY 143 Ca 0.49 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.38 0.12 1.61 4.07 -1.26 -4.57 120.64 116.24 1p6t n GLU 144 Ca 0.00 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1p6t n GLU 144 Cb 0.00 -5.34 0.00 0.00 -0.06 0.00 0.00 31.44 26.04 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1p6t n GLN 145 N -4.31 0.00 0.00 5.31 6.02 -1.26 -4.99 117.38 118.14 1p6t n GLN 145 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1p6t n GLN 145 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 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 -3.02 0.66 -0.63 1.08 9.92 -1.26 -4.57 116.55 118.72 1p6t n ASP 146 Ca 0.00 -1.08 0.04 0.00 -0.53 0.00 0.00 54.79 53.22 1p6t n ASP 146 Cb 0.00 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.55 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1p6t n SER 147 N -0.04 1.04 -4.20 -2.24 2.88 -1.26 -4.97 113.62 104.82 1p6t n SER 147 Ca 0.00 -2.53 -0.35 0.00 -1.33 0.00 0.00 58.87 54.66 1p6t n SER 147 Cb 0.14 -0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1p6t n ILE 148 N -0.40 1.93 -1.53 2.46 5.41 -1.26 -4.74 119.36 121.23 1p6t n ILE 148 Ca 0.08 -1.89 -0.37 0.00 1.00 0.00 0.00 62.75 61.56 1p6t n ILE 148 Cb 0.78 -2.23 -0.09 0.00 -0.71 0.00 0.00 39.64 37.39 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p6t n GLU 149 N 7.78 0.56 0.00 0.38 -0.58 -1.26 -2.96 120.64 124.56 1p6t n GLU 149 Ca 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1p6t n GLU 149 Cb 0.44 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.74 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 150 N 6.23 2.65 0.00 0.62 0.00 -1.26 -5.06 105.19 108.37 1p6t n GLY 150 Ca 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19