#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 -0.52 0.01 -0.89 1.43 -1.26 -5.14 118.68 112.31 1p6t s LEU 2 Ca 0.00 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 1p6t s LEU 2 Cb 0.00 0.97 0.10 0.00 0.03 0.00 0.00 46.19 47.29 1p6t s LEU 2 CO 0.00 -0.30 1.07 -0.44 0.23 0.00 0.00 176.35 176.91 1p6t s SER 3 N 2.50 -0.19 -0.43 2.29 0.01 -1.26 -5.04 113.70 111.58 1p6t s SER 3 Ca 0.11 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.25 1p6t s SER 3 Cb -0.15 0.32 0.49 0.00 0.21 0.00 0.00 66.02 66.89 1p6t s SER 3 CO -0.15 -0.56 1.63 -0.62 0.41 0.00 0.00 173.24 173.95 1p6t n GLU 4 N -0.35 2.68 -1.38 12.44 1.02 -1.26 -5.03 120.64 128.75 1p6t n GLU 4 Ca -0.06 -3.49 -0.34 0.00 -0.02 0.00 0.00 57.16 53.25 1p6t n GLU 4 Cb 0.61 -2.15 0.10 0.00 -0.02 0.00 0.00 31.44 29.98 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p6t s GLN 5 N -3.55 2.07 0.02 3.49 -1.52 -1.26 -4.34 119.66 114.57 1p6t s GLN 5 Ca 0.55 1.74 -0.21 0.00 -1.95 0.00 0.00 55.36 55.48 1p6t s GLN 5 Cb 0.45 -1.83 0.04 0.00 -0.22 0.00 0.00 33.01 31.46 1p6t s GLN 5 CO 0.02 -1.88 0.47 -1.59 -0.25 0.00 0.00 175.29 172.05 1p6t s LYS 6 N -3.97 0.94 0.08 2.91 0.00 -1.16 -5.00 119.74 113.53 1p6t s LYS 6 Ca 0.74 -0.21 -0.15 0.00 0.00 0.00 0.00 55.97 56.35 1p6t s LYS 6 Cb -0.29 0.42 -0.06 0.00 0.00 0.00 0.00 37.83 37.91 1p6t s LYS 6 CO 0.46 -0.31 0.49 -1.83 0.00 0.00 0.00 175.35 174.16 1p6t s GLU 7 N -2.10 3.98 -0.15 1.78 1.03 -1.26 -2.70 118.70 119.28 1p6t s GLU 7 Ca -0.07 0.48 0.00 0.00 0.03 0.00 0.00 54.97 55.41 1p6t s GLU 7 Cb -0.01 -3.09 0.02 0.00 -0.80 0.00 0.00 34.13 30.25 1p6t s GLU 7 CO 0.01 0.59 -0.15 -1.50 -1.33 0.00 0.00 175.26 172.87 1p6t s ILE 8 N -1.27 1.64 -0.55 1.83 -1.16 0.13 -4.85 121.20 116.98 1p6t s ILE 8 Ca 0.31 -0.68 -0.04 0.00 -0.51 0.00 0.00 60.65 59.73 1p6t s ILE 8 Cb -0.16 -1.53 0.14 0.00 0.61 0.00 0.00 42.46 41.52 1p6t s ILE 8 CO 0.17 0.47 0.37 0.00 -2.81 0.00 0.00 174.94 173.14 1p6t s ALA 9 N 1.44 3.45 0.20 1.50 0.00 -1.26 -0.84 121.76 126.25 1p6t s ALA 9 Ca 0.05 -2.94 0.09 0.00 0.00 0.00 0.00 51.96 49.16 1p6t s ALA 9 Cb -0.13 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1p6t s ALA 9 CO -0.11 -1.99 -0.06 -1.64 0.00 0.00 0.00 175.76 171.97 1p6t s MET 10 N 0.52 2.17 0.09 0.00 -1.94 0.11 -4.72 119.30 115.53 1p6t s MET 10 Ca 0.13 -1.29 -0.27 0.00 -1.71 0.00 0.00 55.69 52.55 1p6t s MET 10 Cb -0.21 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.38 1p6t s MET 10 CO -0.04 0.42 0.84 -0.65 -0.01 0.00 0.00 175.02 175.58 1p6t s GLN 11 N -3.09 4.59 0.21 2.03 -0.21 -1.26 0.07 119.66 121.99 1p6t s GLN 11 Ca 0.27 1.22 0.11 0.00 0.02 0.00 0.00 55.36 56.98 1p6t s GLN 11 Cb -0.08 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 1p6t s GLN 11 CO 0.17 0.29 -0.18 0.54 -2.12 0.00 0.00 175.29 173.99 1p6t s VAL 12 N -0.17 2.68 0.25 1.09 0.11 -0.44 -0.78 120.40 123.14 1p6t s VAL 12 Ca 0.41 -1.97 0.03 0.00 -2.93 0.00 0.00 61.98 57.52 1p6t s VAL 12 Cb -0.22 -2.33 -0.05 0.00 -1.53 0.00 0.00 36.38 32.25 1p6t s VAL 12 CO 0.26 -0.17 0.03 -0.44 -3.33 0.00 0.00 175.10 171.45 1p6t s SER 13 N -2.90 1.74 0.00 3.54 0.01 0.45 -4.78 113.70 111.76 1p6t s SER 13 Ca 0.24 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1p6t s SER 13 Cb -0.08 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1p6t s SER 13 CO 0.13 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1p6t n GLY 14 N -0.47 1.14 3.57 3.44 0.00 -1.26 -3.14 105.19 108.47 1p6t n GLY 14 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.50 2.58 0.53 1.61 1.00 -1.26 -4.83 119.30 118.43 1p6t s MET 15 Ca 0.00 1.43 0.35 0.00 0.00 0.00 0.00 55.69 57.46 1p6t s MET 15 Cb 0.00 -4.46 1.58 0.00 0.00 0.00 0.00 34.83 31.95 1p6t s MET 15 CO 0.00 -2.74 2.03 1.15 0.00 0.00 0.00 175.02 175.46 1p6t h THR 16 N 7.32 0.00 -2.84 2.05 2.02 -1.96 -3.47 112.91 116.03 1p6t h THR 16 Ca -0.30 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1p6t h THR 16 Cb 1.23 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1p6t h THR 16 CO 1.11 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.00 1p6t n ALA 18 N -0.94 0.00 0.26 0.00 0.00 -1.26 -4.97 120.51 113.59 1p6t n ALA 18 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1p6t n ALA 18 Cb 0.47 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.64 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 19 N 0.00 1.00 0.57 0.00 0.00 -1.99 -3.21 119.26 115.62 1p6t h ALA 19 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1p6t h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p6t h ALA 19 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.97 1p6t h ALA 21 N -0.33 -0.58 -0.97 0.00 0.00 -1.96 -0.84 119.26 114.57 1p6t h ALA 21 Ca -0.08 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1p6t h ALA 21 Cb 0.59 1.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1p6t h ALA 21 CO 0.12 -0.96 0.62 0.00 0.00 0.00 0.00 179.25 179.04 1p6t h ALA 22 N 0.27 1.53 -0.26 0.00 0.00 -1.49 0.23 119.26 119.55 1p6t h ALA 22 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1p6t h ALA 22 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1p6t h ALA 22 CO -0.67 0.26 0.05 0.00 0.00 0.00 0.00 179.25 178.89 1p6t h ARG 23 N 1.00 0.42 0.78 0.00 2.47 0.24 0.11 114.38 119.41 1p6t h ARG 23 Ca 0.46 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1p6t h ARG 23 Cb 0.40 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1p6t h ARG 23 CO -0.22 0.53 -0.37 0.82 0.56 0.00 0.00 179.97 181.29 1p6t h ILE 24 N 0.24 0.18 -0.41 2.04 2.04 0.36 0.20 117.51 122.16 1p6t h ILE 24 Ca 0.08 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1p6t h ILE 24 Cb 0.31 0.20 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1p6t h ILE 24 CO 0.00 0.01 -0.23 -0.33 0.00 0.00 0.00 178.15 177.60 1p6t h GLU 25 N -1.12 -0.15 -0.34 2.37 5.08 -0.59 0.24 114.58 120.07 1p6t h GLU 25 Ca -0.11 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1p6t h GLU 25 Cb 0.82 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1p6t h GLU 25 CO 0.18 -0.10 0.13 -0.22 -1.00 0.00 0.00 179.01 177.99 1p6t h LYS 26 N -0.16 0.51 -0.85 2.33 3.64 -0.77 0.14 116.57 121.42 1p6t h LYS 26 Ca 0.20 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1p6t h LYS 26 Cb 0.47 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1p6t h LYS 26 CO -0.51 0.51 0.55 0.78 -2.27 0.00 0.00 179.45 178.51 1p6t h GLY 27 N 0.40 1.22 0.98 5.01 0.00 0.82 -1.72 103.07 109.77 1p6t h GLY 27 Ca 0.11 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 1p6t h GLY 27 CO -0.01 0.38 -0.30 1.41 0.00 0.00 0.00 176.54 178.02 1p6t h LEU 28 N 1.09 0.76 -2.08 3.11 -0.00 -0.45 -2.96 115.31 114.77 1p6t h LEU 28 Ca 0.33 -0.48 0.04 0.00 -0.00 0.00 0.00 57.88 57.77 1p6t h LEU 28 Cb -0.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.40 1p6t h LEU 28 CO -0.10 1.08 0.33 0.50 -0.00 0.00 0.00 178.44 180.25 1p6t h LYS 29 N 0.45 0.00 -0.36 1.13 1.63 0.13 0.29 116.57 119.85 1p6t h LYS 29 Ca 0.04 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.95 1p6t h LYS 29 Cb 0.87 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1p6t h LYS 29 CO 0.07 0.00 0.31 -0.09 -3.45 0.00 0.00 179.45 176.30 1p6t h ARG 30 N 0.00 0.00 -6.43 1.90 2.43 -1.20 -3.43 114.38 107.66 1p6t h ARG 30 Ca 0.07 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.70 1p6t h ARG 30 Cb 0.73 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1p6t h ARG 30 CO -0.00 0.00 0.03 -1.64 -1.51 0.00 0.00 179.97 176.84 1p6t s MET 31 N -4.81 4.17 0.13 0.20 -1.94 0.09 -5.02 119.30 112.13 1p6t s MET 31 Ca -0.05 0.74 -0.13 0.00 -1.71 0.00 0.00 55.69 54.54 1p6t s MET 31 Cb 0.17 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 1p6t s MET 31 CO 0.63 0.48 1.50 -1.00 -0.01 0.00 0.00 175.02 176.62 1p6t h PRO 32 N 3.71 0.82 0.00 2.03 0.13 -1.87 -3.06 132.00 133.76 1p6t h PRO 32 Ca -0.48 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.27 1p6t h PRO 32 Cb 1.20 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p6t h PRO 32 CO 0.65 0.99 -0.07 0.78 -0.23 0.00 0.00 178.00 180.13 1p6t h GLY 33 N 0.63 0.00 -7.44 1.56 0.00 -1.88 -3.41 103.07 92.54 1p6t h GLY 33 Ca 0.09 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.92 1p6t h GLY 33 CO 0.06 0.00 1.52 0.14 0.00 0.00 0.00 176.54 178.26 1p6t s VAL 34 N -3.79 3.13 -0.13 4.60 1.01 -1.16 -0.82 120.40 123.25 1p6t s VAL 34 Ca -0.00 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1p6t s VAL 34 Cb 0.10 -3.30 -0.25 0.00 0.00 0.00 0.00 36.38 32.93 1p6t s VAL 34 CO 0.55 -0.27 0.61 0.74 0.00 0.00 0.00 175.10 176.73 1p6t h THR 35 N 7.35 1.37 -3.74 3.92 2.02 -1.26 -3.47 112.91 119.09 1p6t h THR 35 Ca -0.27 -2.35 -0.12 0.00 0.77 0.00 0.00 66.41 64.43 1p6t h THR 35 Cb 1.23 2.93 -0.18 0.00 -1.74 0.00 0.00 68.15 70.39 1p6t h THR 35 CO 1.14 0.57 -0.49 -0.62 0.37 0.00 0.00 175.52 176.49 1p6t s ASP 36 N -6.67 0.14 -0.19 4.18 -1.08 -0.06 -5.03 116.67 107.97 1p6t s ASP 36 Ca -0.21 -0.49 -0.04 0.00 -0.52 0.00 0.00 52.55 51.29 1p6t s ASP 36 Cb 0.01 0.24 0.09 0.00 -1.46 0.00 0.00 42.92 41.81 1p6t s ASP 36 CO 0.70 -0.52 0.30 0.00 0.52 0.00 0.00 175.17 176.18 1p6t s ALA 37 N -2.58 -0.68 0.17 3.66 0.00 -1.26 -0.49 121.76 120.58 1p6t s ALA 37 Ca -0.05 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1p6t s ALA 37 Cb -0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1p6t s ALA 37 CO -0.04 -0.96 -0.03 -0.80 0.00 0.00 0.00 175.76 173.93 1p6t s ASN 38 N 2.45 1.39 -0.22 0.00 0.01 0.04 -4.90 114.94 113.72 1p6t s ASN 38 Ca 0.05 -1.13 -0.04 0.00 -0.71 0.00 0.00 52.86 51.03 1p6t s ASN 38 Cb -0.14 0.08 0.11 0.00 0.41 0.00 0.00 41.25 41.71 1p6t s ASN 38 CO -0.12 -0.50 0.37 0.54 -1.51 0.00 0.00 177.10 175.88 1p6t s VAL 39 N -3.56 -0.58 -1.30 1.60 0.11 -1.26 -0.24 120.40 115.17 1p6t s VAL 39 Ca 0.22 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.10 1p6t s VAL 39 Cb 0.05 -0.74 0.08 0.00 -1.53 0.00 0.00 36.38 34.24 1p6t s VAL 39 CO 0.03 -0.06 1.73 0.59 -3.33 0.00 0.00 175.10 174.06 1p6t n ASN 40 N 5.37 4.93 0.05 3.54 4.13 0.93 -4.74 115.26 129.46 1p6t n ASN 40 Ca -0.05 -2.92 0.20 0.00 1.68 0.00 0.00 54.58 53.49 1p6t n ASN 40 Cb 0.50 -1.73 0.73 0.00 -1.54 0.00 0.00 39.78 37.74 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 12.26 0.00 -1.44 3.41 8.10 -1.92 0.12 115.31 135.84 1p6t h LEU 41 Ca 0.44 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.58 1p6t h LEU 41 Cb 0.86 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.02 1p6t h LEU 41 CO 1.46 0.00 0.54 0.00 -4.11 0.00 0.00 178.44 176.33 1p6t h ALA 42 N 1.64 1.98 -0.22 0.17 0.00 -1.95 -0.60 119.26 120.29 1p6t h ALA 42 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p6t h ALA 42 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1p6t h ALA 42 CO -0.00 -0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.29 1p6t n THR 43 N -4.52 0.63 -4.17 0.00 -2.24 0.22 -4.99 114.28 99.21 1p6t n THR 43 Ca 0.16 -0.82 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 1p6t n THR 43 Cb 0.50 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.52 -2.66 -4.02 -0.78 1.02 -0.04 -4.93 120.64 109.77 1p6t n GLU 44 Ca 0.09 0.32 -0.33 0.00 -0.02 0.00 0.00 57.16 57.22 1p6t n GLU 44 Cb 0.36 -4.63 -0.15 0.00 -0.02 0.00 0.00 31.44 27.01 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 -3.70 2.43 -0.20 2.62 2.01 -0.39 -1.32 115.64 117.10 1p6t s THR 45 Ca 0.37 -1.60 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 1p6t s THR 45 Cb -0.21 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1p6t s THR 45 CO 0.93 -0.08 0.86 0.54 -0.69 0.00 0.00 174.62 176.18 1p6t s VAL 46 N 1.14 4.84 -0.37 3.82 0.11 0.11 -0.05 120.40 130.00 1p6t s VAL 46 Ca -0.07 1.67 -0.01 0.00 -2.93 0.00 0.00 61.98 60.64 1p6t s VAL 46 Cb -0.20 -4.15 0.10 0.00 -1.53 0.00 0.00 36.38 30.59 1p6t s VAL 46 CO -0.04 -0.03 0.13 0.20 -3.33 0.00 0.00 175.10 172.02 1p6t s ASN 47 N 1.22 5.06 -0.14 3.54 0.01 0.67 -0.71 114.94 124.59 1p6t s ASN 47 Ca 0.38 -1.92 -0.04 0.00 -0.71 0.00 0.00 52.86 50.57 1p6t s ASN 47 Cb -0.16 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 1p6t s ASN 47 CO 0.10 -0.45 0.01 -0.69 -1.51 0.00 0.00 177.10 174.56 1p6t s VAL 48 N 1.10 4.33 -0.19 1.60 1.01 -0.02 -0.78 120.40 127.46 1p6t s VAL 48 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1p6t s VAL 48 Cb -0.21 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1p6t s VAL 48 CO -0.05 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 1p6t s ILE 49 N -0.09 1.92 0.26 2.22 1.09 0.36 -0.69 121.20 126.26 1p6t s ILE 49 Ca 0.04 -0.97 -0.16 0.00 -1.10 0.00 0.00 60.65 58.47 1p6t s ILE 49 Cb -0.13 -1.81 0.00 0.00 -1.06 0.00 0.00 42.46 39.47 1p6t s ILE 49 CO 0.02 0.41 0.56 -0.72 -0.10 0.00 0.00 174.94 175.11 1p6t s TYR 50 N 1.32 0.17 -0.21 3.97 -0.85 -1.10 -0.88 117.35 119.76 1p6t s TYR 50 Ca 0.03 -0.56 -0.21 0.00 -0.52 0.00 0.00 57.07 55.81 1p6t s TYR 50 Cb -0.14 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 1p6t s TYR 50 CO -0.11 -1.08 0.64 0.34 -1.52 0.00 0.00 175.55 173.82 1p6t s ASP 51 N -2.98 6.66 0.00 -0.18 -1.08 0.00 -2.97 116.67 116.12 1p6t s ASP 51 Ca 0.18 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 53.02 1p6t s ASP 51 Cb -0.03 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1p6t s ASP 51 CO 0.08 -0.31 1.80 -0.81 0.52 0.00 0.00 175.17 176.45 1p6t n PRO 52 N 5.26 0.92 -0.80 4.34 -0.04 -1.26 -3.19 135.00 140.23 1p6t n PRO 52 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1p6t n PRO 52 Cb 0.49 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.87 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.50 2.98 0.00 0.55 0.00 -1.26 -4.90 120.51 119.39 1p6t n ALA 53 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1p6t n ALA 53 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.19 -5.05 120.64 115.43 1p6t n GLU 54 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1p6t n GLU 54 Cb 0.63 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 -2.36 0.00 0.00 2.62 -1.04 -1.25 -4.83 114.28 107.41 1p6t n THR 55 Ca 0.00 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1p6t n THR 55 Cb 0.08 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 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 2.71 3.60 0.32 3.41 0.00 -1.26 -4.70 105.19 109.27 1p6t n GLY 56 Ca 0.00 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 0.52 -0.70 2.61 1.03 -1.92 0.14 112.91 114.58 1p6t h THR 57 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1p6t h THR 57 Cb 0.00 0.01 -0.03 0.00 -1.07 0.00 0.00 68.15 67.06 1p6t h THR 57 CO 0.00 0.09 0.44 0.00 -0.01 0.00 0.00 175.52 176.03 1p6t h ALA 58 N 1.70 0.89 -0.32 0.00 0.00 -1.93 0.66 119.26 120.26 1p6t h ALA 58 Ca 0.57 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.25 1p6t h ALA 58 Cb 1.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1p6t h ALA 58 CO -0.50 0.34 -0.44 0.00 0.00 0.00 0.00 179.25 178.65 1p6t h ALA 59 N 1.23 0.62 0.31 0.00 0.00 -1.09 0.14 119.26 120.47 1p6t h ALA 59 Ca 0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1p6t h ALA 59 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1p6t h ALA 59 CO -0.05 0.68 -0.19 0.82 0.00 0.00 0.00 179.25 180.51 1p6t h ILE 60 N 0.65 0.61 -0.87 0.00 2.04 -0.77 0.82 117.51 119.99 1p6t h ILE 60 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1p6t h ILE 60 Cb 1.02 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1p6t h ILE 60 CO 0.10 0.00 0.54 0.06 0.00 0.00 0.00 178.15 178.85 1p6t h GLN 61 N -0.48 1.16 -0.90 2.37 -0.00 -0.79 -0.20 115.11 116.27 1p6t h GLN 61 Ca -0.03 -0.09 0.08 0.00 -0.00 0.00 0.00 58.65 58.60 1p6t h GLN 61 Cb 0.39 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.48 27.56 1p6t h GLN 61 CO 0.04 0.80 0.58 1.49 -0.00 0.00 0.00 178.83 181.74 1p6t h GLU 62 N 1.19 0.94 -0.47 0.06 4.81 -0.28 -2.17 114.58 118.67 1p6t h GLU 62 Ca 0.31 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1p6t h GLU 62 Cb -0.08 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1p6t h GLU 62 CO -0.06 0.62 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.38 1p6t h LYS 63 N 0.97 0.97 -0.37 1.92 1.63 0.98 0.12 116.57 122.79 1p6t h LYS 63 Ca 0.40 -0.43 0.07 0.00 -0.85 0.00 0.00 60.65 59.84 1p6t h LYS 63 Cb 0.28 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.82 1p6t h LYS 63 CO -0.16 1.10 0.01 0.82 -3.45 0.00 0.00 179.45 177.77 1p6t h ILE 64 N 0.83 0.73 0.12 2.00 2.04 -0.82 0.20 117.51 122.61 1p6t h ILE 64 Ca 0.10 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1p6t h ILE 64 Cb 0.81 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1p6t h ILE 64 CO 0.07 0.02 -0.06 -0.33 0.00 0.00 0.00 178.15 177.85 1p6t h GLU 65 N 0.11 -0.16 -0.51 2.37 5.08 -0.97 -2.77 114.58 117.72 1p6t h GLU 65 Ca 0.18 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1p6t h GLU 65 Cb 0.25 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1p6t h GLU 65 CO -0.30 0.07 0.35 0.87 -1.00 0.00 0.00 179.01 179.00 1p6t h LYS 66 N -0.37 0.32 0.00 2.33 1.57 -0.59 0.14 116.57 119.98 1p6t h LYS 66 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1p6t h LYS 66 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1p6t h LYS 66 CO 0.03 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.40 1p6t n LEU 67 N -4.47 0.15 -0.15 2.94 7.99 0.67 -4.85 117.00 119.29 1p6t n LEU 67 Ca 0.08 0.55 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 1p6t n LEU 67 Cb 0.34 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 1p6t n LEU 67 CO 0.34 -0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.39 1p6t n GLY 68 N -0.59 0.83 3.44 -0.72 0.00 0.50 -5.05 105.19 103.60 1p6t n GLY 68 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.99 1.75 0.09 1.61 1.51 -1.13 -4.98 117.35 114.20 1p6t s TYR 69 Ca 0.00 -1.31 0.02 0.00 -1.01 0.00 0.00 57.07 54.77 1p6t s TYR 69 Cb 0.00 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1p6t s TYR 69 CO 0.00 -0.38 -0.07 -1.01 -1.11 0.00 0.00 175.55 172.98 1p6t s HIS 70 N -3.35 0.88 0.00 2.71 3.76 -1.19 -4.26 115.29 113.84 1p6t s HIS 70 Ca 0.30 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1p6t s HIS 70 Cb 0.04 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1p6t s HIS 70 CO 0.17 -0.11 -0.06 0.14 -0.85 0.00 0.00 174.74 174.02 1p6t s VAL 71 N -3.07 3.66 -1.16 -0.90 -7.23 -1.26 -0.41 120.40 110.03 1p6t s VAL 71 Ca 0.07 -0.77 -0.14 0.00 -1.81 0.00 0.00 61.98 59.33 1p6t s VAL 71 Cb 0.01 -2.60 0.17 0.00 0.56 0.00 0.00 36.38 34.53 1p6t s VAL 71 CO -0.03 0.39 1.36 -0.69 -0.31 0.00 0.00 175.10 175.82 1p6t s VAL 72 N -1.00 5.04 -0.18 1.32 1.01 0.04 -4.90 120.40 121.72 1p6t s VAL 72 Ca 0.17 -2.51 -0.12 0.00 0.00 0.00 0.00 61.98 59.52 1p6t s VAL 72 Cb -0.11 -4.87 0.06 0.00 0.00 0.00 0.00 36.38 31.45 1p6t s VAL 72 CO 0.08 -1.58 0.45 -0.89 0.00 0.00 0.00 175.10 173.16 1p6t s THR 73 N 1.59 -0.02 -0.11 3.92 2.01 -1.26 -4.49 115.64 117.29 1p6t s THR 73 Ca 0.40 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1p6t s THR 73 Cb -0.04 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1p6t s THR 73 CO -0.02 0.02 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.19 1p6t s GLU 74 N 1.10 3.12 -1.08 4.92 2.02 -1.24 -4.94 118.70 122.61 1p6t s GLU 74 Ca -0.07 -0.68 -0.21 0.00 0.02 0.00 0.00 54.97 54.03 1p6t s GLU 74 Cb -0.07 -2.56 0.07 0.00 0.10 0.00 0.00 34.13 31.67 1p6t s GLU 74 CO -0.10 0.34 1.48 -1.59 0.02 0.00 0.00 175.26 175.41 1p6t s LYS 75 N 0.01 3.71 0.47 1.61 -2.85 -1.26 -3.69 119.74 117.74 1p6t s LYS 75 Ca -0.04 -1.47 -0.14 0.00 -1.00 0.00 0.00 55.97 53.32 1p6t s LYS 75 Cb -0.14 -5.33 -0.07 0.00 -2.06 0.00 0.00 37.83 30.22 1p6t s LYS 75 CO 0.04 -2.15 0.89 0.00 0.10 0.00 0.00 175.35 174.23 1p6t s ALA 76 N 4.36 3.20 -0.07 0.59 0.00 0.42 -4.86 121.76 125.39 1p6t s ALA 76 Ca 0.46 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1p6t s ALA 76 Cb 0.00 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1p6t s ALA 76 CO -0.05 -0.15 -0.15 -1.21 0.00 0.00 0.00 175.76 174.20 1p6t s GLU 77 N -4.01 1.94 -0.01 0.00 2.02 -1.26 -0.24 118.70 117.15 1p6t s GLU 77 Ca 0.55 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 55.08 1p6t s GLU 77 Cb -0.10 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.54 1p6t s GLU 77 CO 0.32 0.07 -0.16 -0.06 0.02 0.00 0.00 175.26 175.46 1p6t s PHE 78 N 0.55 1.39 0.34 1.61 0.08 0.21 -2.38 117.98 119.77 1p6t s PHE 78 Ca -0.14 -0.27 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 1p6t s PHE 78 Cb -0.16 -0.89 -0.08 0.00 -0.57 0.00 0.00 43.02 41.33 1p6t s PHE 78 CO 0.05 -0.01 0.72 0.34 -0.10 0.00 0.00 175.22 176.21 1p6t s ASP 79 N -0.46 6.67 -0.13 1.36 2.15 0.97 -0.32 116.67 126.91 1p6t s ASP 79 Ca 0.06 1.18 0.03 0.00 0.43 0.00 0.00 52.55 54.24 1p6t s ASP 79 Cb -0.06 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 40.23 1p6t s ASP 79 CO -0.00 -0.25 -0.22 -0.63 -0.17 0.00 0.00 175.17 173.90 1p6t s ILE 80 N -2.09 2.00 -0.47 4.11 1.01 -0.46 -0.14 121.20 125.16 1p6t s ILE 80 Ca 0.52 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 1p6t s ILE 80 Cb -0.10 -1.76 0.12 0.00 0.01 0.00 0.00 42.46 40.72 1p6t s ILE 80 CO 0.22 0.54 0.34 -1.61 0.00 0.00 0.00 174.94 174.44 1p6t s GLU 81 N 0.77 2.46 0.00 2.79 2.02 -0.75 -4.61 118.70 121.38 1p6t s GLU 81 Ca -0.09 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1p6t s GLU 81 Cb -0.16 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.16 1p6t s GLU 81 CO -0.00 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.49 1p6t n GLY 82 N 4.86 1.90 1.25 -1.39 0.00 -1.26 -2.84 105.19 107.71 1p6t n GLY 82 Ca -0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.38 -0.10 1.61 0.00 -1.26 -4.33 117.12 111.65 1p6t n MET 83 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 57.70 57.06 1p6t n MET 83 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 33.22 32.68 1p6t n MET 83 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1p6t n THR 84 N -3.13 0.00 0.00 3.17 5.66 -1.26 -4.86 114.28 113.86 1p6t n THR 84 Ca 0.05 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.84 1p6t n THR 84 Cb 0.20 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.85 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t n ALA 86 N -3.03 0.08 -2.43 0.00 0.00 -1.26 -5.04 120.51 108.82 1p6t n ALA 86 Ca -0.31 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.15 1p6t n ALA 86 Cb 1.02 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.51 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 -3.00 2.63 -0.19 0.00 0.00 -1.26 -4.87 120.51 113.82 1p6t n ALA 87 Ca 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 53.44 50.84 1p6t n ALA 87 Cb 0.00 -0.70 0.17 0.00 0.00 0.00 0.00 19.45 18.92 1p6t n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 89 N 1.34 1.41 -0.26 0.00 0.00 -1.95 0.16 119.26 119.97 1p6t h ALA 89 Ca 0.22 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1p6t h ALA 89 Cb 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1p6t h ALA 89 CO -0.02 0.54 -0.29 -0.91 0.00 0.00 0.00 179.25 178.58 1p6t h ASN 90 N 1.11 0.70 0.26 0.00 2.35 -1.43 0.18 115.58 118.77 1p6t h ASN 90 Ca 0.30 -0.49 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1p6t h ASN 90 Cb -0.13 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1p6t h ASN 90 CO -0.07 1.05 -0.32 0.03 -1.65 0.00 0.00 177.43 176.47 1p6t h ARG 91 N 0.38 -0.61 0.00 0.81 3.08 -0.81 -2.26 114.38 114.97 1p6t h ARG 91 Ca 0.04 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1p6t h ARG 91 Cb 0.86 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1p6t h ARG 91 CO 0.07 -0.41 -0.16 -0.84 -1.07 0.00 0.00 179.97 177.56 1p6t h ILE 92 N -0.63 0.82 0.62 2.04 -0.00 -0.61 -1.97 117.51 117.76 1p6t h ILE 92 Ca -0.00 -0.63 -0.02 0.00 -0.00 0.00 0.00 64.86 64.20 1p6t h ILE 92 Cb 0.60 1.37 -0.01 0.00 -0.00 0.00 0.00 36.82 38.78 1p6t h ILE 92 CO -0.10 0.16 -0.45 -0.08 -0.00 0.00 0.00 178.15 177.68 1p6t h GLU 93 N 0.00 -0.99 -0.33 0.16 4.81 -0.32 0.25 114.58 118.15 1p6t h GLU 93 Ca -0.00 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1p6t h GLU 93 Cb 0.36 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1p6t h GLU 93 CO 0.02 -0.66 0.23 0.87 -0.73 0.00 0.00 179.01 178.74 1p6t h LYS 94 N -1.03 0.07 0.00 1.92 1.79 -0.83 0.17 116.57 118.66 1p6t h LYS 94 Ca -0.08 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1p6t h LYS 94 Cb 0.86 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1p6t h LYS 94 CO 0.03 0.05 0.00 0.54 -1.08 0.00 0.00 179.45 178.99 1p6t n ARG 95 N -4.46 0.00 -0.13 3.15 5.12 -0.80 -4.22 116.66 115.33 1p6t n ARG 95 Ca 0.05 0.43 0.23 0.00 -1.93 0.00 0.00 57.85 56.62 1p6t n ARG 95 Cb 0.36 -1.10 0.66 0.00 -1.16 0.00 0.00 32.46 31.22 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 0.09 -0.42 0.55 3.38 -0.34 -0.33 115.31 118.24 1p6t h LEU 96 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1p6t h LEU 96 Cb 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 1p6t h LEU 96 CO 0.00 0.04 -0.11 0.59 0.09 0.00 0.00 178.44 179.05 1p6t n ASN 97 N -4.36 -0.16 -2.71 -0.43 3.02 0.58 -3.72 115.26 107.47 1p6t n ASN 97 Ca 0.15 0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 55.34 1p6t n ASN 97 Cb 0.77 -0.21 0.09 0.00 -0.61 0.00 0.00 39.78 39.82 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1p6t n LYS 98 N -4.67 0.88 0.24 3.52 2.85 -0.17 -4.04 118.16 116.77 1p6t n LYS 98 Ca 0.06 -1.69 -0.10 0.00 -1.05 0.00 0.00 58.31 55.53 1p6t n LYS 98 Cb 0.20 -0.75 -0.05 0.00 -0.65 0.00 0.00 35.03 33.79 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 2.41 0.00 0.00 0.58 1.08 -1.56 -3.47 117.51 116.56 1p6t h ILE 99 Ca -0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1p6t h ILE 99 Cb 1.15 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1p6t h ILE 99 CO 0.08 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.92 1p6t n GLU 100 N -3.85 0.00 0.00 2.37 1.02 -1.26 -4.95 120.64 113.97 1p6t n GLU 100 Ca -0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1p6t n GLU 100 Cb 0.26 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.01 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 4.89 -1.26 3.63 0.62 0.00 -1.26 -4.71 105.19 107.10 1p6t n GLY 101 Ca 0.00 -0.31 -0.60 0.00 0.00 0.00 0.00 46.02 45.11 1p6t n GLY 101 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p6t n VAL 102 N -1.45 0.05 -0.03 1.61 0.31 -1.26 -4.55 118.33 113.01 1p6t n VAL 102 Ca 0.06 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 1p6t n VAL 102 Cb 0.34 -0.49 -0.11 0.00 -0.91 0.00 0.00 33.84 32.67 1p6t n VAL 102 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p6t h ALA 103 N 4.56 0.05 -2.84 3.52 0.00 -0.72 -3.40 119.26 120.44 1p6t h ALA 103 Ca -0.48 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 1p6t h ALA 103 Cb 1.38 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 1p6t h ALA 103 CO 0.83 0.06 -0.05 -0.80 0.00 0.00 0.00 179.25 179.28 1p6t s ASN 104 N -6.24 -0.16 -0.47 0.00 0.01 -1.04 -4.50 114.94 102.53 1p6t s ASN 104 Ca -0.16 -0.69 0.05 0.00 -0.71 0.00 0.00 52.86 51.35 1p6t s ASN 104 Cb 0.01 0.57 0.23 0.00 0.41 0.00 0.00 41.25 42.48 1p6t s ASN 104 CO 0.74 -1.08 0.89 0.00 -1.51 0.00 0.00 177.10 176.14 1p6t n ALA 105 N -0.35 -1.89 -1.82 0.60 0.00 -1.26 -0.58 120.51 115.22 1p6t n ALA 105 Ca -0.06 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 51.86 1p6t n ALA 105 Cb 0.62 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 4.48 0.02 0.00 0.04 -1.17 -4.49 135.00 134.58 1p6t s PRO 106 Ca 0.30 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.35 1p6t s PRO 106 Cb 0.16 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1p6t s PRO 106 CO -0.17 -0.03 0.12 0.14 0.04 0.00 0.00 177.00 177.10 1p6t s VAL 107 N -0.90 4.96 0.11 -0.36 -7.23 -1.26 -0.74 120.40 114.98 1p6t s VAL 107 Ca 0.48 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 60.33 1p6t s VAL 107 Cb -0.36 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1p6t s VAL 107 CO 0.45 0.28 -0.12 0.20 -0.31 0.00 0.00 175.10 175.60 1p6t s ASN 108 N -1.99 4.25 0.00 4.85 -0.87 -0.03 -4.99 114.94 116.16 1p6t s ASN 108 Ca 0.26 -0.45 0.04 0.00 -1.57 0.00 0.00 52.86 51.15 1p6t s ASN 108 Cb -0.12 -0.75 0.11 0.00 -0.02 0.00 0.00 41.25 40.47 1p6t s ASN 108 CO 0.18 0.17 1.03 0.33 -2.57 0.00 0.00 177.10 176.24 1p6t n PHE 109 N 0.67 0.15 -0.10 2.20 7.35 -1.26 -3.55 117.46 122.92 1p6t n PHE 109 Ca -0.14 -0.42 -0.17 0.00 -0.76 0.00 0.00 57.45 55.96 1p6t n PHE 109 Cb 0.53 -0.03 -0.08 0.00 0.35 0.00 0.00 39.48 40.24 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 -0.04 1.62 0.12 3.13 0.00 -1.26 -4.62 120.51 119.46 1p6t n ALA 110 Ca 0.04 -0.82 0.08 0.00 0.00 0.00 0.00 53.44 52.74 1p6t n ALA 110 Cb 0.29 0.13 0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.32 0.00 -1.53 0.00 3.38 -2.02 -3.48 115.31 111.34 1p6t h LEU 111 Ca -0.47 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.32 1p6t h LEU 111 Cb 1.58 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.41 1p6t h LEU 111 CO -0.18 0.17 -0.37 -0.62 0.09 0.00 0.00 178.44 177.53 1p6t n GLU 112 N -2.86 -3.51 -4.21 1.13 1.02 -1.26 -4.95 120.64 106.00 1p6t n GLU 112 Ca -0.01 0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1p6t n GLU 112 Cb 0.62 -4.18 -0.10 0.00 -0.02 0.00 0.00 31.44 27.77 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 -3.17 0.59 -0.05 2.62 -4.23 -1.23 -1.35 115.64 108.81 1p6t s THR 113 Ca 0.10 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1p6t s THR 113 Cb -0.04 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1p6t s THR 113 CO 0.36 -0.59 -0.13 0.54 -0.54 0.00 0.00 174.62 174.26 1p6t s VAL 114 N -3.71 1.11 0.25 2.29 0.11 0.56 -0.85 120.40 120.16 1p6t s VAL 114 Ca 0.20 -0.51 -0.21 0.00 -2.93 0.00 0.00 61.98 58.53 1p6t s VAL 114 Cb 0.06 -0.99 -0.09 0.00 -1.53 0.00 0.00 36.38 33.83 1p6t s VAL 114 CO 0.01 0.34 0.79 -0.89 -3.33 0.00 0.00 175.10 172.02 1p6t s THR 115 N 0.35 4.47 -0.06 5.04 2.01 0.08 -0.62 115.64 126.91 1p6t s THR 115 Ca -0.08 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1p6t s THR 115 Cb -0.12 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1p6t s THR 115 CO 0.02 0.19 -0.03 0.54 -0.69 0.00 0.00 174.62 174.65 1p6t s VAL 116 N -1.55 0.52 -0.50 3.82 0.11 0.67 -3.02 120.40 120.45 1p6t s VAL 116 Ca 0.45 -0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.41 1p6t s VAL 116 Cb -0.17 -0.60 0.13 0.00 -1.53 0.00 0.00 36.38 34.21 1p6t s VAL 116 CO 0.22 0.25 0.31 -1.61 -3.33 0.00 0.00 175.10 170.94 1p6t s GLU 117 N 1.39 2.29 0.06 1.54 2.02 0.25 -0.44 118.70 125.80 1p6t s GLU 117 Ca -0.04 -2.06 -0.01 0.00 0.02 0.00 0.00 54.97 52.88 1p6t s GLU 117 Cb -0.13 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 1p6t s GLU 117 CO -0.03 -1.13 -0.02 1.52 0.02 0.00 0.00 175.26 175.62 1p6t s TYR 118 N 0.75 0.54 -0.28 1.61 1.13 -1.24 -0.10 117.35 119.76 1p6t s TYR 118 Ca 0.11 -1.08 -0.26 0.00 -1.41 0.00 0.00 57.07 54.44 1p6t s TYR 118 Cb -0.22 -0.39 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 1p6t s TYR 118 CO -0.04 -0.39 0.89 1.21 -2.51 0.00 0.00 175.55 174.71 1p6t s ASN 119 N -2.93 6.83 0.00 -0.18 2.47 -1.26 -3.58 114.94 116.29 1p6t s ASN 119 Ca 0.08 0.96 0.09 0.00 0.42 0.00 0.00 52.86 54.41 1p6t s ASN 119 Cb 0.08 -2.46 0.51 0.00 -1.45 0.00 0.00 41.25 37.93 1p6t s ASN 119 CO -0.09 -0.63 0.93 -0.81 -3.72 0.00 0.00 177.10 172.77 1p6t n PRO 120 N 6.27 0.39 -0.06 0.43 -0.04 -1.26 -1.59 135.00 139.13 1p6t n PRO 120 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 1p6t n PRO 120 Cb 0.47 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.85 0.70 -0.01 0.54 -0.00 -1.26 -4.54 118.16 112.75 1p6t n LYS 121 Ca 0.06 0.20 -0.17 0.00 -0.00 0.00 0.00 58.31 58.41 1p6t n LYS 121 Cb 0.03 -1.62 -0.11 0.00 -0.00 0.00 0.00 35.03 33.33 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 0.04 0.33 0.00 -1.58 4.22 -1.67 -3.48 114.58 112.43 1p6t h GLU 122 Ca -0.49 -0.35 -0.17 0.00 0.08 0.00 0.00 59.36 58.43 1p6t h GLU 122 Cb 1.98 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 31.29 1p6t h GLU 122 CO 0.01 1.04 -0.15 0.00 -2.18 0.00 0.00 179.01 177.73 1p6t n ALA 123 N -2.57 0.19 -3.35 2.92 0.00 -0.75 -5.02 120.51 111.93 1p6t n ALA 123 Ca -0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.60 1p6t n ALA 123 Cb 0.61 0.45 -0.04 0.00 0.00 0.00 0.00 19.45 20.47 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 -1.78 -0.27 0.36 0.00 1.04 -1.26 -4.31 113.70 107.49 1p6t s SER 124 Ca 0.08 -0.49 0.12 0.00 0.48 0.00 0.00 55.95 56.13 1p6t s SER 124 Cb 0.00 0.59 0.91 0.00 0.10 0.00 0.00 66.02 67.62 1p6t s SER 124 CO 0.05 -1.08 1.82 -0.37 0.98 0.00 0.00 173.24 174.64 1p6t h VAL 125 N 2.17 0.70 -0.93 5.02 -1.51 -1.99 0.44 116.25 120.16 1p6t h VAL 125 Ca -0.28 -0.20 0.14 0.00 -1.23 0.00 0.00 66.70 65.13 1p6t h VAL 125 Cb 1.26 0.05 -0.09 0.00 -2.13 0.00 0.00 31.29 30.38 1p6t h VAL 125 CO 0.36 0.11 0.54 0.28 -1.23 0.00 0.00 177.57 177.63 1p6t h SER 126 N 0.60 0.73 -0.18 4.19 0.02 -1.98 0.17 113.55 117.09 1p6t h SER 126 Ca 0.52 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.53 1p6t h SER 126 Cb 1.02 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1p6t h SER 126 CO -0.27 0.34 0.05 -0.78 -1.14 0.00 0.00 176.83 175.03 1p6t h ASP 127 N 0.80 0.27 -0.82 3.07 3.58 -1.32 -0.55 116.42 121.45 1p6t h ASP 127 Ca 0.49 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1p6t h ASP 127 Cb 0.62 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 1p6t h ASP 127 CO -0.32 0.43 0.52 -0.07 -2.88 0.00 0.00 179.24 176.92 1p6t h LEU 128 N 0.11 0.96 -0.13 2.28 3.38 -1.11 0.26 115.31 121.06 1p6t h LEU 128 Ca 0.06 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1p6t h LEU 128 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1p6t h LEU 128 CO 0.00 0.72 0.07 0.11 0.09 0.00 0.00 178.44 179.42 1p6t h LYS 129 N 1.12 0.14 -0.40 1.13 1.57 -0.56 0.39 116.57 119.96 1p6t h LYS 129 Ca 0.30 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1p6t h LYS 129 Cb -0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1p6t h LYS 129 CO -0.06 0.09 0.19 1.49 -0.57 0.00 0.00 179.45 180.59 1p6t h GLU 130 N 0.14 0.38 0.30 3.15 4.22 0.15 -0.41 114.58 122.52 1p6t h GLU 130 Ca 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1p6t h GLU 130 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1p6t h GLU 130 CO -0.03 0.25 -0.15 0.00 -2.18 0.00 0.00 179.01 176.90 1p6t h ALA 131 N 1.21 -0.41 -0.29 2.92 0.00 -0.30 0.16 119.26 122.55 1p6t h ALA 131 Ca 0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1p6t h ALA 131 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1p6t h ALA 131 CO -0.13 -0.72 -0.15 -0.24 0.00 0.00 0.00 179.25 178.01 1p6t h VAL 132 N -0.41 1.24 -0.46 0.00 3.04 -0.85 -1.79 116.25 117.01 1p6t h VAL 132 Ca -0.04 -1.08 0.04 0.00 -1.01 0.00 0.00 66.70 64.61 1p6t h VAL 132 Cb 0.32 1.18 -0.04 0.00 -2.01 0.00 0.00 31.29 30.74 1p6t h VAL 132 CO 0.07 0.35 0.24 -0.78 -1.01 0.00 0.00 177.57 176.44 1p6t h ASP 133 N 0.47 0.34 -0.15 3.17 1.82 -0.59 0.22 116.42 121.70 1p6t h ASP 133 Ca 0.08 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1p6t h ASP 133 Cb 0.54 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1p6t h ASP 133 CO 0.03 0.24 0.16 0.50 -1.61 0.00 0.00 179.24 178.57 1p6t h LYS 134 N 0.47 0.00 0.00 0.28 3.64 -0.17 0.27 116.57 121.05 1p6t h LYS 134 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1p6t h LYS 134 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1p6t h LYS 134 CO -0.14 0.00 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.56 1p6t h LEU 135 N 0.00 0.00 -0.12 5.20 -0.00 -0.25 -3.49 115.31 116.65 1p6t h LEU 135 Ca 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 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 -0.00 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 1p6t n GLY 136 N 1.28 1.25 3.24 0.83 0.00 0.94 -5.09 105.19 107.65 1p6t n GLY 136 Ca 0.04 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1p6t n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 137 N -2.12 1.43 0.04 1.61 2.02 -1.03 -5.02 117.35 114.28 1p6t s TYR 137 Ca 0.00 -1.49 0.08 0.00 -0.37 0.00 0.00 57.07 55.28 1p6t s TYR 137 Cb 0.00 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1p6t s TYR 137 CO 0.00 -0.72 -0.21 -1.59 -1.57 0.00 0.00 175.55 171.45 1p6t s LYS 138 N -3.86 1.45 0.02 -0.62 -2.85 -1.13 -3.31 119.74 109.44 1p6t s LYS 138 Ca 0.40 -0.96 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 1p6t s LYS 138 Cb 0.05 -1.56 -0.04 0.00 -2.06 0.00 0.00 37.83 34.22 1p6t s LYS 138 CO 0.19 0.40 0.17 -0.51 0.10 0.00 0.00 175.35 175.70 1p6t s LEU 139 N -1.17 4.27 0.25 2.77 1.43 -1.26 -1.81 118.68 123.17 1p6t s LEU 139 Ca 0.08 0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1p6t s LEU 139 Cb -0.09 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1p6t s LEU 139 CO 0.02 0.22 -0.18 -0.54 0.23 0.00 0.00 176.35 176.10 1p6t s LYS 140 N -2.16 1.56 0.02 1.70 1.02 0.81 -4.95 119.74 117.73 1p6t s LYS 140 Ca 0.30 -1.71 -0.16 0.00 0.02 0.00 0.00 55.97 54.42 1p6t s LYS 140 Cb -0.13 -1.54 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1p6t s LYS 140 CO 0.22 0.28 0.46 -0.51 -0.92 0.00 0.00 175.35 174.87 1p6t s LEU 141 N -3.44 4.49 -1.31 3.17 2.01 -1.26 -0.02 118.68 122.31 1p6t s LEU 141 Ca 0.27 1.05 -0.18 0.00 0.01 0.00 0.00 54.13 55.28 1p6t s LEU 141 Cb -0.03 -2.68 0.05 0.00 0.01 0.00 0.00 46.19 43.54 1p6t s LEU 141 CO 0.12 0.30 1.84 0.29 1.01 0.00 0.00 176.35 179.92 1p6t n LYS 142 N 1.85 3.00 0.00 1.70 4.76 -1.00 -4.58 118.16 123.89 1p6t n LYS 142 Ca -0.13 -3.08 0.00 0.00 -2.87 0.00 0.00 58.31 52.23 1p6t n LYS 142 Cb 0.52 -3.47 0.00 0.00 -1.84 0.00 0.00 35.03 30.24 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p6t n GLY 143 N 5.18 1.43 4.18 0.72 0.00 -1.26 -4.27 105.19 111.17 1p6t n GLY 143 Ca 0.49 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 1p6t n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6t n GLU 144 N 0.00 -0.90 0.00 1.61 1.02 -1.26 -0.32 120.64 120.79 1p6t n GLU 144 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1p6t n GLU 144 Cb 0.00 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 27.93 1p6t n GLU 144 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1p6t n GLN 145 N -4.15 0.00 0.06 3.49 7.27 -1.26 -4.69 117.38 118.10 1p6t n GLN 145 Ca -0.21 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.65 1p6t n GLN 145 Cb 0.59 -2.41 -0.15 0.00 2.41 0.00 0.00 30.24 30.68 1p6t n GLN 145 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1p6t h ASP 146 N 0.00 0.53 -2.18 1.69 3.58 -1.07 -3.32 116.42 115.66 1p6t h ASP 146 Ca 0.00 -0.93 -0.58 0.00 0.42 0.00 0.00 57.03 55.95 1p6t h ASP 146 Cb 0.00 -0.17 -0.42 0.00 1.72 0.00 0.00 39.33 40.46 1p6t h ASP 146 CO 0.00 1.52 -0.71 -1.20 -2.88 0.00 0.00 179.24 175.97 1p6t n SER 147 N -3.98 4.11 -2.17 2.28 7.64 -0.22 -5.04 113.62 116.24 1p6t n SER 147 Ca -0.17 -3.61 -0.00 0.00 1.01 0.00 0.00 58.87 56.09 1p6t n SER 147 Cb 0.91 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1p6t n ILE 148 N -0.21 -0.04 -4.22 0.44 5.41 -1.25 0.08 119.36 119.57 1p6t n ILE 148 Ca 0.31 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.74 1p6t n ILE 148 Cb 0.45 -0.04 -0.07 0.00 -0.71 0.00 0.00 39.64 39.27 1p6t n ILE 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1p6t n GLU 149 N -0.40 -1.30 -0.02 0.38 4.07 -1.26 -0.46 120.64 121.64 1p6t n GLU 149 Ca -0.00 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 1p6t n GLU 149 Cb 0.01 -3.65 0.00 0.00 -0.06 0.00 0.00 31.44 27.74 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 -2.41 1.23 0.90 8.31 0.00 0.11 -4.87 105.19 108.47 1p6t n GLY 150 Ca -0.30 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19