#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 -1.86 -3.51 4.03 0.00 -1.26 -5.00 117.00 109.40 1p6t n LEU 2 Ca 0.00 -3.28 -0.19 0.00 0.00 0.00 0.00 56.01 52.54 1p6t n LEU 2 Cb 0.00 0.20 0.06 0.00 0.00 0.00 0.00 43.42 43.68 1p6t n LEU 2 CO 0.00 1.83 0.02 -1.20 0.00 0.00 0.00 177.39 178.04 1p6t n SER 3 N -0.49 -2.76 -2.88 1.96 7.64 -1.26 -4.91 113.62 110.92 1p6t n SER 3 Ca -0.05 -0.74 -0.36 0.00 1.01 0.00 0.00 58.87 58.73 1p6t n SER 3 Cb 0.81 -4.64 0.01 0.00 -1.01 0.00 0.00 64.21 59.38 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1p6t n GLU 4 N -4.03 2.96 -1.37 1.43 2.13 -1.26 -4.98 120.64 115.52 1p6t n GLU 4 Ca -0.24 -3.27 -0.29 0.00 0.66 0.00 0.00 57.16 54.02 1p6t n GLU 4 Cb 0.66 -2.27 0.17 0.00 0.27 0.00 0.00 31.44 30.28 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p6t s GLN 5 N -3.28 0.39 0.01 5.31 1.11 -1.26 -4.44 119.66 117.51 1p6t s GLN 5 Ca 0.53 0.21 -0.01 0.00 0.01 0.00 0.00 55.36 56.10 1p6t s GLN 5 Cb 0.39 -1.76 -0.01 0.00 -1.01 0.00 0.00 33.01 30.62 1p6t s GLN 5 CO -0.32 -2.69 0.00 -1.59 0.01 0.00 0.00 175.29 170.70 1p6t s LYS 6 N -5.27 0.32 0.34 2.91 0.00 -0.83 -4.95 119.74 112.27 1p6t s LYS 6 Ca 0.67 -0.53 -0.18 0.00 0.00 0.00 0.00 55.97 55.93 1p6t s LYS 6 Cb -0.14 0.12 -0.10 0.00 0.00 0.00 0.00 37.83 37.71 1p6t s LYS 6 CO 0.55 -0.06 0.82 -1.83 0.00 0.00 0.00 175.35 174.83 1p6t s GLU 7 N -1.33 4.16 -0.05 1.78 1.03 -1.26 -2.68 118.70 120.34 1p6t s GLU 7 Ca -0.15 0.89 0.03 0.00 0.03 0.00 0.00 54.97 55.78 1p6t s GLU 7 Cb -0.09 -2.44 0.01 0.00 -0.80 0.00 0.00 34.13 30.81 1p6t s GLU 7 CO -0.01 0.14 -0.12 -1.50 -1.33 0.00 0.00 175.26 172.44 1p6t s ILE 8 N -1.96 1.09 -0.13 1.83 -1.16 0.16 -4.89 121.20 116.15 1p6t s ILE 8 Ca 0.55 -0.49 0.01 0.00 -0.51 0.00 0.00 60.65 60.21 1p6t s ILE 8 Cb -0.11 -0.98 0.02 0.00 0.61 0.00 0.00 42.46 42.00 1p6t s ILE 8 CO 0.17 0.33 -0.15 0.00 -2.81 0.00 0.00 174.94 172.48 1p6t s ALA 9 N 0.38 1.81 0.16 1.50 0.00 -0.24 -0.65 121.76 124.72 1p6t s ALA 9 Ca -0.09 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 1p6t s ALA 9 Cb -0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1p6t s ALA 9 CO 0.02 -0.19 0.23 -1.64 0.00 0.00 0.00 175.76 174.19 1p6t s MET 10 N 1.16 1.12 -0.27 0.00 -1.94 0.07 -3.23 119.30 116.21 1p6t s MET 10 Ca -0.02 -1.26 -0.10 0.00 -1.71 0.00 0.00 55.69 52.59 1p6t s MET 10 Cb -0.14 0.34 -0.05 0.00 2.01 0.00 0.00 34.83 37.00 1p6t s MET 10 CO -0.05 -0.39 0.16 -1.14 -0.01 0.00 0.00 175.02 173.59 1p6t s GLN 11 N -4.00 3.90 0.16 2.03 0.74 -1.26 -0.05 119.66 121.19 1p6t s GLN 11 Ca 0.20 -0.35 0.07 0.00 0.05 0.00 0.00 55.36 55.33 1p6t s GLN 11 Cb 0.04 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 1p6t s GLN 11 CO 0.01 -0.16 0.01 0.54 -0.55 0.00 0.00 175.29 175.15 1p6t s VAL 12 N 1.66 3.83 0.31 1.34 0.11 -1.18 -1.28 120.40 125.18 1p6t s VAL 12 Ca 0.07 -1.33 0.11 0.00 -2.93 0.00 0.00 61.98 57.89 1p6t s VAL 12 Cb -0.16 -2.91 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 1p6t s VAL 12 CO 0.09 -0.08 -0.14 -0.44 -3.33 0.00 0.00 175.10 171.21 1p6t s SER 13 N -2.87 3.75 0.00 3.54 0.01 0.66 -4.68 113.70 114.11 1p6t s SER 13 Ca 0.27 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1p6t s SER 13 Cb -0.10 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1p6t s SER 13 CO 0.19 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1p6t n GLY 14 N -0.72 0.68 3.76 3.44 0.00 -1.26 -2.89 105.19 108.19 1p6t n GLY 14 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.67 3.51 0.00 1.61 1.00 -1.26 -4.93 119.30 118.55 1p6t s MET 15 Ca 0.00 2.12 0.00 0.00 0.00 0.00 0.00 55.69 57.81 1p6t s MET 15 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 34.83 32.40 1p6t s MET 15 CO 0.00 -0.86 0.37 2.41 0.00 0.00 0.00 175.02 176.94 1p6t n THR 16 N -0.59 0.00 -0.76 2.05 -1.04 -1.26 -5.07 114.28 107.61 1p6t n THR 16 Ca 0.08 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1p6t n THR 16 Cb 0.45 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.06 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t n ALA 18 N 0.33 -3.69 -0.08 0.00 0.00 -1.26 -4.77 120.51 111.05 1p6t n ALA 18 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1p6t n ALA 18 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 19 N -2.93 0.00 0.17 0.00 0.00 -1.26 -3.89 120.51 112.60 1p6t n ALA 19 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1p6t n ALA 19 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.51 0.32 -0.83 0.00 0.00 -1.94 -1.89 119.26 113.41 1p6t h ALA 21 Ca -0.04 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 21 Cb 0.41 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1p6t h ALA 21 CO 0.02 -0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.36 1p6t h ALA 22 N 1.19 1.23 -0.35 0.00 0.00 -1.79 0.17 119.26 119.71 1p6t h ALA 22 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1p6t h ALA 22 Cb 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1p6t h ALA 22 CO -0.14 -0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.19 1p6t h ARG 23 N 0.59 0.50 0.61 0.00 2.47 0.07 0.86 114.38 119.48 1p6t h ARG 23 Ca 0.45 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.08 1p6t h ARG 23 Cb 0.64 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1p6t h ARG 23 CO -0.37 0.42 -0.40 0.82 0.56 0.00 0.00 179.97 181.00 1p6t h ILE 24 N 0.44 0.00 -0.54 2.04 2.04 -0.39 0.98 117.51 122.08 1p6t h ILE 24 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 1p6t h ILE 24 Cb 0.07 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.10 1p6t h ILE 24 CO -0.02 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 178.05 1p6t h GLU 25 N -0.95 0.46 -0.34 2.37 4.39 -0.67 0.24 114.58 120.08 1p6t h GLU 25 Ca -0.08 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1p6t h GLU 25 Cb 0.77 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1p6t h GLU 25 CO 0.06 0.30 0.12 -0.22 -1.16 0.00 0.00 179.01 178.11 1p6t h LYS 26 N 0.47 0.25 -0.12 2.33 3.64 -0.79 0.17 116.57 122.53 1p6t h LYS 26 Ca 0.25 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1p6t h LYS 26 Cb 0.22 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1p6t h LYS 26 CO -0.21 0.17 0.02 0.78 -2.27 0.00 0.00 179.45 177.94 1p6t h GLY 27 N 0.26 0.12 1.50 5.01 0.00 0.13 -2.64 103.07 107.45 1p6t h GLY 27 Ca 0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1p6t h GLY 27 CO -0.16 -0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.70 1p6t h LEU 28 N 0.06 0.59 -1.82 3.11 -0.00 -0.37 -0.69 115.31 116.19 1p6t h LEU 28 Ca 0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1p6t h LEU 28 Cb 0.05 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1p6t h LEU 28 CO -0.07 0.71 0.19 0.50 -0.00 0.00 0.00 178.44 179.77 1p6t h LYS 29 N 0.56 0.00 0.00 1.13 1.63 -0.30 -0.26 116.57 119.34 1p6t h LYS 29 Ca 0.11 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1p6t h LYS 29 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1p6t h LYS 29 CO 0.03 0.00 -0.30 -0.09 -3.45 0.00 0.00 179.45 175.63 1p6t h ARG 30 N 0.00 0.00 -6.90 1.90 9.65 -0.94 -3.46 114.38 114.63 1p6t h ARG 30 Ca 0.00 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 1p6t h ARG 30 Cb 0.37 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1p6t h ARG 30 CO 0.00 0.30 0.44 -1.64 2.80 0.00 0.00 179.97 181.88 1p6t s MET 31 N -3.60 4.35 0.17 0.20 -1.94 -0.11 -4.96 119.30 113.41 1p6t s MET 31 Ca 0.01 1.66 -0.09 0.00 -1.71 0.00 0.00 55.69 55.55 1p6t s MET 31 Cb 0.10 -2.82 0.05 0.00 2.01 0.00 0.00 34.83 34.18 1p6t s MET 31 CO 0.66 -0.01 1.58 -1.00 -0.01 0.00 0.00 175.02 176.24 1p6t h PRO 32 N 3.05 0.97 0.00 2.03 0.13 -1.89 -2.56 132.00 133.73 1p6t h PRO 32 Ca -0.48 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1p6t h PRO 32 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p6t h PRO 32 CO 0.64 1.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.89 1p6t n GLY 33 N -0.18 -1.17 3.73 1.56 0.00 -1.26 -4.82 105.19 103.05 1p6t n GLY 33 Ca 0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1p6t n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6t s VAL 34 N -2.75 2.44 -0.15 1.61 0.11 -0.97 -0.42 120.40 120.27 1p6t s VAL 34 Ca 0.18 0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.52 1p6t s VAL 34 Cb 0.16 -3.22 -0.07 0.00 -1.53 0.00 0.00 36.38 31.72 1p6t s VAL 34 CO 0.39 0.04 -0.17 0.41 -3.33 0.00 0.00 175.10 172.43 1p6t n THR 35 N 3.25 0.83 -3.90 5.04 -1.04 0.07 -4.90 114.28 113.63 1p6t n THR 35 Ca 0.11 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 1p6t n THR 35 Cb 0.38 -1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 67.36 1p6t n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p6t s ASP 36 N -6.05 -0.11 -0.21 8.00 2.15 -0.03 -5.02 116.67 115.40 1p6t s ASP 36 Ca -0.21 -0.76 -0.04 0.00 0.43 0.00 0.00 52.55 51.98 1p6t s ASP 36 Cb 0.07 0.54 0.11 0.00 -0.30 0.00 0.00 42.92 43.34 1p6t s ASP 36 CO 0.29 -1.03 0.32 0.00 -0.17 0.00 0.00 175.17 174.58 1p6t s ALA 37 N -3.95 -0.79 0.31 3.66 0.00 -1.26 -0.52 121.76 119.20 1p6t s ALA 37 Ca 0.16 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1p6t s ALA 37 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1p6t s ALA 37 CO 0.02 -1.11 0.08 -0.80 0.00 0.00 0.00 175.76 173.95 1p6t s ASN 38 N 2.47 1.96 -0.23 0.00 0.02 0.13 -4.92 114.94 114.38 1p6t s ASN 38 Ca 0.08 -1.42 -0.04 0.00 -1.02 0.00 0.00 52.86 50.46 1p6t s ASN 38 Cb -0.15 0.08 0.12 0.00 0.02 0.00 0.00 41.25 41.33 1p6t s ASN 38 CO -0.13 -0.70 0.41 0.54 0.02 0.00 0.00 177.10 177.24 1p6t s VAL 39 N -3.46 -0.66 -1.31 1.60 0.11 -1.26 -0.59 120.40 114.83 1p6t s VAL 39 Ca 0.36 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 1p6t s VAL 39 Cb 0.08 -0.78 0.06 0.00 -1.53 0.00 0.00 36.38 34.21 1p6t s VAL 39 CO 0.15 -0.04 1.81 0.59 -3.33 0.00 0.00 175.10 174.27 1p6t n ASN 40 N 5.38 4.70 0.20 3.54 4.13 0.79 -4.74 115.26 129.26 1p6t n ASN 40 Ca -0.05 -2.90 0.18 0.00 1.68 0.00 0.00 54.58 53.49 1p6t n ASN 40 Cb 0.50 -1.73 0.82 0.00 -1.54 0.00 0.00 39.78 37.83 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 12.57 0.00 -1.67 3.41 8.10 -1.93 0.21 115.31 136.01 1p6t h LEU 41 Ca 0.45 0.00 0.07 0.00 0.11 0.00 0.00 57.88 58.51 1p6t h LEU 41 Cb 0.85 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.04 1p6t h LEU 41 CO 1.50 0.00 0.34 0.00 -4.11 0.00 0.00 178.44 176.17 1p6t h ALA 42 N 1.62 1.95 0.00 0.17 0.00 -1.95 -2.56 119.26 118.50 1p6t h ALA 42 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 42 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1p6t h ALA 42 CO -0.00 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.45 1p6t n THR 43 N -4.47 0.95 -3.80 0.00 -2.24 0.25 -5.00 114.28 99.97 1p6t n THR 43 Ca 0.07 -0.97 -0.30 0.00 -2.27 0.00 0.00 64.05 60.59 1p6t n THR 43 Cb 0.28 0.53 0.00 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 -0.47 -4.19 -3.53 -0.78 1.02 0.50 -4.95 120.64 108.24 1p6t n GLU 44 Ca 0.00 0.51 -0.42 0.00 -0.02 0.00 0.00 57.16 57.23 1p6t n GLU 44 Cb 0.24 -5.30 -0.10 0.00 -0.02 0.00 0.00 31.44 26.26 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 -3.17 4.76 -0.09 2.62 2.01 -0.58 -3.09 115.64 118.11 1p6t s THR 45 Ca 0.60 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 1p6t s THR 45 Cb -0.31 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1p6t s THR 45 CO 0.74 -0.38 0.88 0.54 -0.69 0.00 0.00 174.62 175.70 1p6t s VAL 46 N 1.57 4.90 -0.15 3.82 0.11 0.93 -0.15 120.40 131.42 1p6t s VAL 46 Ca 0.03 1.78 -0.00 0.00 -2.93 0.00 0.00 61.98 60.86 1p6t s VAL 46 Cb -0.21 -4.20 0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1p6t s VAL 46 CO 0.06 0.11 -0.07 0.54 -3.33 0.00 0.00 175.10 172.42 1p6t s ASN 47 N 1.02 2.72 -0.06 3.54 4.22 0.24 -0.75 114.94 125.86 1p6t s ASN 47 Ca 0.44 -0.59 0.05 0.00 -2.14 0.00 0.00 52.86 50.63 1p6t s ASN 47 Cb -0.18 -0.94 -0.01 0.00 1.28 0.00 0.00 41.25 41.40 1p6t s ASN 47 CO 0.19 -0.16 -0.24 -0.69 -2.04 0.00 0.00 177.10 174.17 1p6t s VAL 48 N 1.62 1.95 -0.18 3.54 1.01 0.18 -0.69 120.40 127.83 1p6t s VAL 48 Ca 0.02 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1p6t s VAL 48 Cb -0.15 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1p6t s VAL 48 CO -0.08 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.74 1p6t s ILE 49 N -0.04 2.12 0.26 2.22 1.01 0.32 -0.67 121.20 126.43 1p6t s ILE 49 Ca -0.06 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 1p6t s ILE 49 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1p6t s ILE 49 CO 0.04 0.53 0.44 -0.72 0.00 0.00 0.00 174.94 175.24 1p6t s TYR 50 N 1.28 0.57 -0.20 3.97 -0.85 -1.09 -0.75 117.35 120.28 1p6t s TYR 50 Ca 0.05 -0.90 -0.25 0.00 -0.52 0.00 0.00 57.07 55.45 1p6t s TYR 50 Cb -0.13 0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 1p6t s TYR 50 CO -0.12 -0.99 0.82 0.34 -1.52 0.00 0.00 175.55 174.08 1p6t s ASP 51 N -3.07 6.89 0.00 -0.18 -1.08 0.44 -1.96 116.67 117.71 1p6t s ASP 51 Ca 0.26 1.10 0.00 0.00 -0.52 0.00 0.00 52.55 53.39 1p6t s ASP 51 Cb 0.00 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1p6t s ASP 51 CO 0.11 -0.44 1.46 -0.81 0.52 0.00 0.00 175.17 176.01 1p6t n PRO 52 N 5.54 0.85 0.00 4.34 -0.04 -1.26 -3.16 135.00 141.28 1p6t n PRO 52 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1p6t n PRO 52 Cb 0.48 -1.07 0.00 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 1.29 0.96 0.00 0.55 0.00 -1.26 -4.92 120.51 117.12 1p6t n ALA 53 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1p6t n ALA 53 Cb 0.43 0.00 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 -1.19 -5.04 120.64 115.43 1p6t n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1p6t n GLU 54 Cb 0.49 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 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 -2.44 0.00 0.00 2.62 -1.04 -1.25 -4.84 114.28 107.33 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 0.38 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 3.34 2.98 0.33 3.41 0.00 -1.26 -4.62 105.19 109.36 1p6t n GLY 56 Ca 0.00 -1.25 0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 0.21 -0.62 2.61 1.03 -1.94 0.46 112.91 114.66 1p6t h THR 57 Ca 0.00 -0.08 0.02 0.00 -0.01 0.00 0.00 66.41 66.34 1p6t h THR 57 Cb 0.00 -0.04 -0.03 0.00 -1.07 0.00 0.00 68.15 67.01 1p6t h THR 57 CO 0.00 0.04 0.40 0.00 -0.01 0.00 0.00 175.52 175.95 1p6t h ALA 58 N 1.89 0.80 -0.19 0.00 0.00 -1.91 -0.72 119.26 119.13 1p6t h ALA 58 Ca 0.77 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.53 1p6t h ALA 58 Cb 1.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1p6t h ALA 58 CO -0.65 0.18 -0.37 0.00 0.00 0.00 0.00 179.25 178.41 1p6t h ALA 59 N 1.25 1.01 0.33 0.00 0.00 -0.37 0.13 119.26 121.61 1p6t h ALA 59 Ca 0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p6t h ALA 59 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1p6t h ALA 59 CO -0.07 0.60 -0.33 0.82 0.00 0.00 0.00 179.25 180.27 1p6t h ILE 60 N 0.35 0.31 -0.78 0.00 1.08 -0.62 0.93 117.51 118.79 1p6t h ILE 60 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1p6t h ILE 60 Cb 0.82 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1p6t h ILE 60 CO 0.07 0.00 0.42 0.06 -0.69 0.00 0.00 178.15 178.00 1p6t h GLN 61 N -0.70 1.09 -0.83 2.37 3.07 -0.99 -1.50 115.11 117.62 1p6t h GLN 61 Ca -0.02 -0.13 0.15 0.00 0.09 0.00 0.00 58.65 58.73 1p6t h GLN 61 Cb 0.63 -0.21 -0.09 0.00 0.08 0.00 0.00 27.48 27.89 1p6t h GLN 61 CO -0.06 0.81 0.42 1.49 0.09 0.00 0.00 178.83 181.58 1p6t h GLU 62 N 1.08 0.58 -0.10 0.06 4.81 -0.37 0.50 114.58 121.14 1p6t h GLU 62 Ca 0.27 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1p6t h GLU 62 Cb 0.05 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1p6t h GLU 62 CO -0.04 0.38 0.02 -0.22 -0.73 0.00 0.00 179.01 178.42 1p6t h LYS 63 N 0.59 0.16 -0.56 1.92 1.63 0.19 0.92 116.57 121.42 1p6t h LYS 63 Ca 0.46 -0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.32 1p6t h LYS 63 Cb 0.65 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.18 1p6t h LYS 63 CO -0.37 0.35 0.07 0.82 -3.45 0.00 0.00 179.45 176.88 1p6t h ILE 64 N -0.06 0.62 0.01 2.00 2.04 -0.62 0.22 117.51 121.71 1p6t h ILE 64 Ca 0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1p6t h ILE 64 Cb 0.27 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1p6t h ILE 64 CO 0.00 0.04 -0.00 -0.33 0.00 0.00 0.00 178.15 177.85 1p6t h GLU 65 N 0.19 -0.01 -0.91 2.37 5.08 -0.64 -2.48 114.58 118.18 1p6t h GLU 65 Ca 0.29 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.76 1p6t h GLU 65 Cb 0.44 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1p6t h GLU 65 CO -0.41 0.09 0.59 0.87 -1.00 0.00 0.00 179.01 179.14 1p6t h LYS 66 N -0.11 0.85 0.00 2.33 6.56 -0.13 0.58 116.57 126.65 1p6t h LYS 66 Ca -0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1p6t h LYS 66 Cb 0.11 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1p6t h LYS 66 CO 0.00 0.56 0.00 1.28 -2.06 0.00 0.00 179.45 179.23 1p6t n LEU 67 N -4.55 0.39 -0.15 2.94 4.77 0.70 -4.86 117.00 116.24 1p6t n LEU 67 Ca 0.16 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1p6t n LEU 67 Cb 0.34 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1p6t n LEU 67 CO 0.30 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 1p6t n GLY 68 N -0.53 1.00 3.55 -0.72 0.00 0.19 -5.05 105.19 103.63 1p6t n GLY 68 Ca 0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.30 1.96 -0.03 1.61 1.51 -1.00 -4.97 117.35 114.13 1p6t s TYR 69 Ca 0.00 -1.03 0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1p6t s TYR 69 Cb 0.00 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1p6t s TYR 69 CO 0.00 0.01 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.43 1p6t s HIS 70 N -3.11 0.37 0.11 2.71 3.76 -1.14 -4.19 115.29 113.81 1p6t s HIS 70 Ca 0.26 -0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 54.88 1p6t s HIS 70 Cb 0.05 -0.42 -0.07 0.00 1.11 0.00 0.00 32.58 33.26 1p6t s HIS 70 CO 0.13 -0.12 0.78 0.14 -0.85 0.00 0.00 174.74 174.82 1p6t s VAL 71 N 0.87 4.54 -1.52 -0.90 -7.23 -1.26 -0.24 120.40 114.66 1p6t s VAL 71 Ca -0.09 1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 61.68 1p6t s VAL 71 Cb -0.12 -4.14 -0.01 0.00 0.56 0.00 0.00 36.38 32.67 1p6t s VAL 71 CO -0.01 0.44 2.73 0.52 -0.31 0.00 0.00 175.10 178.46 1p6t n VAL 72 N 2.21 4.58 -4.69 1.32 0.31 -0.41 -4.87 118.33 116.79 1p6t n VAL 72 Ca -0.04 -3.19 -0.27 0.00 -0.01 0.00 0.00 64.34 60.83 1p6t n VAL 72 Cb 0.49 -2.44 -0.17 0.00 -0.91 0.00 0.00 33.84 30.82 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 1.12 1.45 -0.03 2.52 2.01 -1.26 -4.11 115.64 117.34 1p6t s THR 73 Ca 0.63 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1p6t s THR 73 Cb 0.18 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1p6t s THR 73 CO -0.07 0.43 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.50 1p6t s GLU 74 N 0.70 1.61 -0.90 4.92 0.41 0.22 -4.87 118.70 120.78 1p6t s GLU 74 Ca -0.13 -0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 53.58 1p6t s GLU 74 Cb -0.16 -1.47 0.08 0.00 -1.78 0.00 0.00 34.13 30.80 1p6t s GLU 74 CO 0.03 0.32 1.25 -1.59 -0.49 0.00 0.00 175.26 174.78 1p6t s LYS 75 N -0.21 3.48 0.14 1.61 -2.85 -1.26 -1.87 119.74 118.78 1p6t s LYS 75 Ca 0.02 -1.21 -0.01 0.00 -1.00 0.00 0.00 55.97 53.77 1p6t s LYS 75 Cb -0.09 -4.91 -0.04 0.00 -2.06 0.00 0.00 37.83 30.73 1p6t s LYS 75 CO 0.01 -1.99 0.32 0.00 0.10 0.00 0.00 175.35 173.79 1p6t s ALA 76 N 4.12 3.89 -0.19 0.59 0.00 0.20 -4.93 121.76 125.43 1p6t s ALA 76 Ca 0.37 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 1p6t s ALA 76 Cb -0.05 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1p6t s ALA 76 CO -0.04 0.63 0.05 -1.21 0.00 0.00 0.00 175.76 175.18 1p6t s GLU 77 N -2.89 3.85 0.21 0.00 2.02 -1.26 -0.27 118.70 120.35 1p6t s GLU 77 Ca 0.38 -0.41 0.11 0.00 0.02 0.00 0.00 54.97 55.07 1p6t s GLU 77 Cb -0.12 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1p6t s GLU 77 CO 0.27 0.16 -0.22 -0.06 0.02 0.00 0.00 175.26 175.44 1p6t s PHE 78 N 0.65 2.18 0.15 1.61 0.40 0.38 -2.98 117.98 120.37 1p6t s PHE 78 Ca 0.02 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1p6t s PHE 78 Cb -0.13 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1p6t s PHE 78 CO 0.02 0.51 -0.08 0.34 0.70 0.00 0.00 175.22 176.71 1p6t s ASP 79 N -2.86 4.41 -0.14 1.36 -1.08 0.83 -0.52 116.67 118.67 1p6t s ASP 79 Ca 0.22 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1p6t s ASP 79 Cb -0.07 -0.82 0.02 0.00 -1.46 0.00 0.00 42.92 40.59 1p6t s ASP 79 CO 0.10 0.12 -0.13 -0.63 0.52 0.00 0.00 175.17 175.15 1p6t s ILE 80 N -1.55 1.49 -0.47 4.11 1.01 0.52 -0.15 121.20 126.16 1p6t s ILE 80 Ca 0.24 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1p6t s ILE 80 Cb -0.10 -1.41 0.42 0.00 0.01 0.00 0.00 42.46 41.39 1p6t s ILE 80 CO 0.15 0.44 1.25 1.21 0.00 0.00 0.00 174.94 178.00 1p6t n GLU 81 N 4.76 3.36 0.00 2.79 2.13 -0.41 -4.62 120.64 128.65 1p6t n GLU 81 Ca -0.16 -4.32 0.00 0.00 0.66 0.00 0.00 57.16 53.34 1p6t n GLU 81 Cb 0.50 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 82 N -0.53 -0.07 3.64 8.31 0.00 -1.26 -4.47 105.19 110.82 1p6t n GLY 82 Ca 0.42 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.84 1p6t n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 83 N -2.25 0.68 -0.71 1.61 2.81 -1.26 -4.85 117.12 113.15 1p6t n MET 83 Ca 0.00 0.24 0.04 0.00 -1.81 0.00 0.00 57.70 56.16 1p6t n MET 83 Cb 0.00 -1.90 0.30 0.00 -0.71 0.00 0.00 33.22 30.91 1p6t n MET 83 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1p6t n THR 84 N 4.96 2.16 -2.93 2.03 5.66 -1.26 -4.94 114.28 119.96 1p6t n THR 84 Ca 0.33 -1.10 -0.10 0.00 -3.05 0.00 0.00 64.05 60.13 1p6t n THR 84 Cb 0.07 -0.35 0.05 0.00 -1.55 0.00 0.00 70.33 68.54 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 -2.68 2.57 -1.95 0.00 0.00 -1.26 -5.03 120.51 112.16 1p6t n ALA 86 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1p6t n ALA 86 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.86 3.01 -0.00 0.00 0.00 -1.26 -4.99 120.51 115.41 1p6t n ALA 87 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1p6t n ALA 87 Cb 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 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 0.66 1.36 -0.04 0.00 0.00 -1.98 1.00 119.26 120.27 1p6t h ALA 89 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1p6t h ALA 89 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1p6t h ALA 89 CO 0.00 0.59 -0.03 -0.91 0.00 0.00 0.00 179.25 178.90 1p6t h ASN 90 N 1.19 -0.09 -0.11 0.00 4.21 -1.83 0.29 115.58 119.25 1p6t h ASN 90 Ca 0.32 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.88 1p6t h ASN 90 Cb -0.12 0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.09 1p6t h ASN 90 CO -0.07 -0.04 -0.11 0.03 -1.29 0.00 0.00 177.43 175.95 1p6t h ARG 91 N -0.04 -0.13 -0.70 0.81 -0.00 -0.65 -1.82 114.38 111.85 1p6t h ARG 91 Ca 0.03 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.58 1p6t h ARG 91 Cb 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.01 1p6t h ARG 91 CO -0.06 -0.08 0.40 0.97 0.00 0.00 0.00 179.97 181.20 1p6t h ILE 92 N -0.13 0.97 0.44 2.04 2.10 -0.41 -2.09 117.51 120.43 1p6t h ILE 92 Ca 0.08 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.75 1p6t h ILE 92 Cb 0.24 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 1p6t h ILE 92 CO -0.19 0.13 -0.22 -0.08 -1.08 0.00 0.00 178.15 176.71 1p6t h GLU 93 N 0.73 -0.58 0.00 2.19 4.22 -0.06 0.22 114.58 121.30 1p6t h GLU 93 Ca 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.79 1p6t h GLU 93 Cb 0.20 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1p6t h GLU 93 CO -0.19 -0.39 -0.02 0.87 -2.18 0.00 0.00 179.01 177.10 1p6t h LYS 94 N -0.61 0.00 0.00 1.92 6.56 -1.06 0.14 116.57 123.52 1p6t h LYS 94 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1p6t h LYS 94 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1p6t h LYS 94 CO 0.09 0.02 0.00 0.54 -2.06 0.00 0.00 179.45 178.04 1p6t n ARG 95 N -3.71 0.00 -0.34 3.15 3.00 -0.69 -4.35 116.66 113.72 1p6t n ARG 95 Ca -0.03 0.41 0.24 0.00 -0.01 0.00 0.00 57.85 58.46 1p6t n ARG 95 Cb 0.11 -1.09 0.47 0.00 0.00 0.00 0.00 32.46 31.95 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1p6t h LEU 96 N 0.00 0.53 -0.40 0.55 3.38 -0.20 -1.25 115.31 117.91 1p6t h LEU 96 Ca 0.00 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1p6t h LEU 96 Cb 0.00 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1p6t h LEU 96 CO 0.00 -0.11 -0.03 0.59 0.09 0.00 0.00 178.44 178.98 1p6t n ASN 97 N -5.02 -0.08 -2.76 -0.43 3.02 0.45 -3.19 115.26 107.24 1p6t n ASN 97 Ca 0.31 0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 55.46 1p6t n ASN 97 Cb 0.97 -0.24 0.08 0.00 -0.61 0.00 0.00 39.78 39.99 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 -4.49 1.03 0.09 3.52 -0.00 -0.48 -4.35 118.16 113.48 1p6t n LYS 98 Ca 0.08 -2.03 -0.05 0.00 -0.00 0.00 0.00 58.31 56.32 1p6t n LYS 98 Cb 0.27 -0.99 -0.03 0.00 -0.00 0.00 0.00 35.03 34.28 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1p6t h ILE 99 N 2.78 0.00 0.00 0.58 1.08 -1.49 -3.47 117.51 116.99 1p6t h ILE 99 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1p6t h ILE 99 Cb 1.11 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1p6t h ILE 99 CO 0.14 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.98 1p6t n GLU 100 N -3.16 0.00 -2.62 2.37 4.71 -1.26 -4.97 120.64 115.70 1p6t n GLU 100 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.83 1p6t n GLU 100 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.55 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p6t n GLY 101 N 0.88 5.85 3.31 0.62 0.00 -1.20 -1.08 105.19 113.58 1p6t n GLY 101 Ca 0.00 -2.75 -0.33 0.00 0.00 0.00 0.00 46.02 42.94 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 -5.08 2.75 -0.15 1.61 1.01 -1.26 -0.65 120.40 118.63 1p6t s VAL 102 Ca 0.48 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1p6t s VAL 102 Cb 0.35 -2.14 -0.21 0.00 0.00 0.00 0.00 36.38 34.39 1p6t s VAL 102 CO -0.18 0.53 0.55 0.00 0.00 0.00 0.00 175.10 176.00 1p6t h ALA 103 N 6.83 0.04 -2.72 5.51 0.00 -0.75 -3.41 119.26 124.75 1p6t h ALA 103 Ca -0.25 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 1p6t h ALA 103 Cb 1.21 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 1p6t h ALA 103 CO 0.54 0.13 -0.16 -0.80 0.00 0.00 0.00 179.25 178.96 1p6t s ASN 104 N -6.23 -0.10 -0.46 0.00 0.01 -0.83 -4.74 114.94 102.60 1p6t s ASN 104 Ca -0.18 -0.60 0.07 0.00 -0.71 0.00 0.00 52.86 51.43 1p6t s ASN 104 Cb -0.01 0.48 0.29 0.00 0.41 0.00 0.00 41.25 42.42 1p6t s ASN 104 CO 0.57 -0.92 0.98 0.00 -1.51 0.00 0.00 177.10 176.22 1p6t n ALA 105 N -0.24 -0.56 -2.01 0.60 0.00 -1.26 -0.72 120.51 116.32 1p6t n ALA 105 Ca -0.11 -1.73 -0.41 0.00 0.00 0.00 0.00 53.44 51.19 1p6t n ALA 105 Cb 0.63 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 0.08 4.46 -0.08 0.00 0.04 -1.19 -4.74 135.00 133.57 1p6t s PRO 106 Ca 0.28 1.95 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 1p6t s PRO 106 Cb 0.27 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1p6t s PRO 106 CO -0.12 -0.13 0.36 0.14 0.04 0.00 0.00 177.00 177.29 1p6t s VAL 107 N -0.10 5.18 0.06 -0.36 -7.23 -1.26 -1.08 120.40 115.61 1p6t s VAL 107 Ca 0.53 0.72 -0.10 0.00 -1.81 0.00 0.00 61.98 61.33 1p6t s VAL 107 Cb -0.34 -3.68 -0.30 0.00 0.56 0.00 0.00 36.38 32.62 1p6t s VAL 107 CO 0.38 0.48 1.11 0.78 -0.31 0.00 0.00 175.10 177.54 1p6t h ASN 108 N 5.66 0.65 0.00 4.85 4.21 -1.11 -3.48 115.58 126.36 1p6t h ASN 108 Ca -0.47 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 56.38 1p6t h ASN 108 Cb 1.20 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 1p6t h ASN 108 CO 0.68 1.50 0.00 0.49 -1.29 0.00 0.00 177.43 178.81 1p6t n PHE 109 N -3.66 0.00 -0.27 1.19 3.72 -1.24 -4.62 117.46 112.59 1p6t n PHE 109 Ca -0.12 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.29 1p6t n PHE 109 Cb 1.03 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.78 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1p6t h ALA 110 N 0.00 1.44 -0.35 4.37 0.00 -1.92 0.52 119.26 123.32 1p6t h ALA 110 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p6t h ALA 110 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1p6t h ALA 110 CO 0.00 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1p6t n LEU 111 N -4.43 3.36 -3.48 0.00 4.77 -1.26 -5.00 117.00 110.97 1p6t n LEU 111 Ca 0.10 -2.33 -0.22 0.00 -0.03 0.00 0.00 56.01 53.53 1p6t n LEU 111 Cb 0.06 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1p6t n LEU 111 CO 0.36 0.72 -0.01 -0.62 -1.33 0.00 0.00 177.39 176.51 1p6t n GLU 112 N 0.28 -2.66 -4.25 3.23 1.02 0.17 -4.84 120.64 113.58 1p6t n GLU 112 Ca 0.16 0.69 -0.14 0.00 -0.02 0.00 0.00 57.16 57.85 1p6t n GLU 112 Cb 0.60 -5.17 -0.10 0.00 -0.02 0.00 0.00 31.44 26.75 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 -3.46 1.12 -0.02 2.62 -4.23 -1.26 -0.35 115.64 110.06 1p6t s THR 113 Ca 0.36 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1p6t s THR 113 Cb -0.08 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.88 1p6t s THR 113 CO 0.79 -0.70 0.01 0.54 -0.54 0.00 0.00 174.62 174.72 1p6t s VAL 114 N -3.36 0.08 0.12 2.29 0.11 0.33 -0.40 120.40 119.57 1p6t s VAL 114 Ca 0.18 0.12 -0.26 0.00 -2.93 0.00 0.00 61.98 59.09 1p6t s VAL 114 Cb 0.03 -0.18 -0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1p6t s VAL 114 CO 0.01 0.11 0.82 -0.89 -3.33 0.00 0.00 175.10 171.83 1p6t s THR 115 N 0.94 4.48 -0.26 5.04 2.01 -0.24 -0.47 115.64 127.14 1p6t s THR 115 Ca -0.09 1.78 -0.01 0.00 0.31 0.00 0.00 61.69 63.68 1p6t s THR 115 Cb -0.12 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1p6t s THR 115 CO -0.02 0.43 -0.05 0.54 -0.69 0.00 0.00 174.62 174.83 1p6t s VAL 116 N -0.60 2.83 -0.58 3.82 0.11 0.63 -3.14 120.40 123.48 1p6t s VAL 116 Ca 0.39 -1.15 -0.17 0.00 -2.93 0.00 0.00 61.98 58.13 1p6t s VAL 116 Cb -0.23 -2.49 0.13 0.00 -1.53 0.00 0.00 36.38 32.26 1p6t s VAL 116 CO 0.26 0.12 0.59 -1.61 -3.33 0.00 0.00 175.10 171.13 1p6t s GLU 117 N 1.29 3.05 0.25 1.54 2.02 0.10 -0.63 118.70 126.32 1p6t s GLU 117 Ca -0.02 -1.64 -0.07 0.00 0.02 0.00 0.00 54.97 53.26 1p6t s GLU 117 Cb -0.17 -4.31 -0.01 0.00 0.10 0.00 0.00 34.13 29.73 1p6t s GLU 117 CO -0.04 -1.40 0.37 1.52 0.02 0.00 0.00 175.26 175.73 1p6t s TYR 118 N 1.85 0.73 -0.54 1.61 1.13 -0.78 -0.13 117.35 121.22 1p6t s TYR 118 Ca 0.07 -1.02 -0.16 0.00 -1.41 0.00 0.00 57.07 54.55 1p6t s TYR 118 Cb -0.27 -0.09 0.13 0.00 -1.10 0.00 0.00 41.96 40.63 1p6t s TYR 118 CO 0.03 -0.91 0.50 1.21 -2.51 0.00 0.00 175.55 173.87 1p6t s ASN 119 N -3.10 6.18 0.00 -0.18 3.84 0.18 -0.61 114.94 121.25 1p6t s ASN 119 Ca 0.29 -1.80 0.00 0.00 0.21 0.00 0.00 52.86 51.55 1p6t s ASN 119 Cb 0.02 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1p6t s ASN 119 CO 0.12 -0.85 0.63 -0.81 -2.79 0.00 0.00 177.10 173.40 1p6t n PRO 120 N 5.22 0.78 -0.12 0.43 -0.04 -1.26 -2.31 135.00 137.71 1p6t n PRO 120 Ca -0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.08 1p6t n PRO 120 Cb 0.40 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.26 0.57 -0.12 0.54 4.76 -1.26 -4.67 118.16 117.71 1p6t n LYS 121 Ca 0.00 0.37 -0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1p6t n LYS 121 Cb 0.08 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 31.66 1p6t n LYS 121 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1p6t h GLU 122 N -1.00 0.77 0.00 1.97 4.57 -1.82 -3.46 114.58 115.61 1p6t h GLU 122 Ca -0.49 -0.34 -0.54 0.00 -1.18 0.00 0.00 59.36 56.81 1p6t h GLU 122 Cb 1.40 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.85 1p6t h GLU 122 CO -0.30 0.96 -0.45 0.00 -1.18 0.00 0.00 179.01 178.04 1p6t n ALA 123 N -2.47 0.55 -3.44 2.92 0.00 -1.03 -4.95 120.51 112.08 1p6t n ALA 123 Ca -0.02 -2.00 -0.09 0.00 0.00 0.00 0.00 53.44 51.33 1p6t n ALA 123 Cb 0.42 1.34 -0.04 0.00 0.00 0.00 0.00 19.45 21.17 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 -3.42 -0.21 0.39 0.00 1.04 -1.26 -4.21 113.70 106.03 1p6t s SER 124 Ca 0.19 -0.66 0.22 0.00 0.48 0.00 0.00 55.95 56.19 1p6t s SER 124 Cb 0.01 0.63 1.26 0.00 0.10 0.00 0.00 66.02 68.02 1p6t s SER 124 CO 0.14 -1.17 1.65 -0.37 0.98 0.00 0.00 173.24 174.46 1p6t h VAL 125 N 2.15 0.22 -0.70 5.02 -1.51 -1.96 0.13 116.25 119.59 1p6t h VAL 125 Ca -0.25 -0.07 0.07 0.00 -1.23 0.00 0.00 66.70 65.23 1p6t h VAL 125 Cb 1.26 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 30.36 1p6t h VAL 125 CO 0.32 0.04 0.38 0.28 -1.23 0.00 0.00 177.57 177.36 1p6t h SER 126 N 0.19 0.54 -0.18 4.19 0.02 -1.98 0.23 113.55 116.56 1p6t h SER 126 Ca 0.77 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.68 1p6t h SER 126 Cb 2.09 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.57 1p6t h SER 126 CO -0.52 0.33 -0.21 0.44 -1.14 0.00 0.00 176.83 175.74 1p6t h ASP 127 N 0.67 0.50 -0.37 3.07 3.32 -1.18 -0.14 116.42 122.29 1p6t h ASP 127 Ca 0.33 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1p6t h ASP 127 Cb 0.27 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1p6t h ASP 127 CO -0.22 0.89 0.14 -0.07 -1.72 0.00 0.00 179.24 178.26 1p6t h LEU 128 N 0.12 0.53 0.13 1.55 3.38 -1.09 0.11 115.31 120.04 1p6t h LEU 128 Ca 0.03 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1p6t h LEU 128 Cb 0.76 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1p6t h LEU 128 CO 0.05 0.57 -0.46 0.11 0.09 0.00 0.00 178.44 178.80 1p6t h LYS 129 N 0.46 -0.65 -0.73 1.13 1.79 -0.52 0.30 116.57 118.34 1p6t h LYS 129 Ca 0.12 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.78 1p6t h LYS 129 Cb 0.22 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 30.92 1p6t h LYS 129 CO -0.01 -0.43 0.26 0.93 -1.08 0.00 0.00 179.45 179.12 1p6t h GLU 130 N -0.67 0.38 0.37 3.15 5.08 -0.54 0.25 114.58 122.60 1p6t h GLU 130 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1p6t h GLU 130 Cb 0.67 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1p6t h GLU 130 CO -0.23 0.25 -0.20 0.00 -1.00 0.00 0.00 179.01 177.82 1p6t h ALA 131 N 1.55 -0.53 -0.41 3.43 0.00 -0.53 0.32 119.26 123.09 1p6t h ALA 131 Ca 0.40 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1p6t h ALA 131 Cb 0.62 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1p6t h ALA 131 CO -0.42 -0.80 -0.06 0.28 0.00 0.00 0.00 179.25 178.24 1p6t h VAL 132 N -0.54 1.24 -0.26 0.00 2.07 0.29 0.43 116.25 119.49 1p6t h VAL 132 Ca -0.05 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1p6t h VAL 132 Cb 0.43 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1p6t h VAL 132 CO 0.06 0.36 0.10 0.44 0.02 0.00 0.00 177.57 178.55 1p6t h ASP 133 N 0.65 0.36 -0.60 0.57 3.32 -0.46 -1.45 116.42 118.81 1p6t h ASP 133 Ca 0.12 -0.17 0.10 0.00 0.02 0.00 0.00 57.03 57.10 1p6t h ASP 133 Cb 0.49 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.87 1p6t h ASP 133 CO 0.03 0.43 0.19 0.11 -1.72 0.00 0.00 179.24 178.27 1p6t h LYS 134 N 0.27 0.34 0.00 3.56 6.56 -0.35 0.37 116.57 127.31 1p6t h LYS 134 Ca 0.09 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1p6t h LYS 134 Cb 0.18 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1p6t h LYS 134 CO -0.01 0.22 0.00 1.28 -2.06 0.00 0.00 179.45 178.89 1p6t n LEU 135 N -5.05 0.26 -0.58 2.94 7.99 0.09 -4.86 117.00 117.79 1p6t n LEU 135 Ca 0.09 0.61 -0.05 0.00 -0.01 0.00 0.00 56.01 56.64 1p6t n LEU 135 Cb 0.29 -0.63 -0.01 0.00 -0.11 0.00 0.00 43.42 42.97 1p6t n LEU 135 CO 0.20 -0.64 -0.07 0.61 -1.51 0.00 0.00 177.39 175.99 1p6t n GLY 136 N -1.14 0.26 1.36 -0.72 0.00 0.12 -5.05 105.19 100.02 1p6t n GLY 136 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.80 0.43 -3.73 1.61 4.01 -0.84 -5.04 117.16 109.81 1p6t n TYR 137 Ca -0.06 -0.93 -0.15 0.00 -0.16 0.00 0.00 57.90 56.59 1p6t n TYR 137 Cb 0.48 -0.13 -0.15 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.68 0.03 -0.06 -0.72 -2.85 -1.26 -3.79 119.74 108.40 1p6t s LYS 138 Ca 0.00 0.36 -0.09 0.00 -1.00 0.00 0.00 55.97 55.24 1p6t s LYS 138 Cb -0.00 -0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.47 1p6t s LYS 138 CO 0.00 -0.21 0.24 -1.17 0.10 0.00 0.00 175.35 174.31 1p6t s LEU 139 N 1.47 4.41 0.29 2.77 1.98 -1.26 -1.29 118.68 127.04 1p6t s LEU 139 Ca -0.05 0.63 0.02 0.00 -2.89 0.00 0.00 54.13 51.84 1p6t s LEU 139 Cb -0.12 -2.34 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 1p6t s LEU 139 CO -0.05 0.35 0.13 -0.54 -1.89 0.00 0.00 176.35 174.36 1p6t s LYS 140 N -1.19 1.52 0.24 1.98 1.02 0.79 -4.94 119.74 119.15 1p6t s LYS 140 Ca 0.20 -1.85 -0.03 0.00 0.02 0.00 0.00 55.97 54.31 1p6t s LYS 140 Cb -0.14 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 1p6t s LYS 140 CO 0.09 -0.38 0.47 -0.51 -0.92 0.00 0.00 175.35 174.10 1p6t s LEU 141 N -3.35 4.15 -1.03 3.17 1.02 -1.26 -0.12 118.68 121.25 1p6t s LEU 141 Ca 0.36 0.57 -0.23 0.00 0.02 0.00 0.00 54.13 54.85 1p6t s LEU 141 Cb 0.06 -3.36 0.05 0.00 0.02 0.00 0.00 46.19 42.97 1p6t s LEU 141 CO 0.16 -0.11 1.47 -0.54 0.02 0.00 0.00 176.35 177.35 1p6t s LYS 142 N -3.38 3.60 0.00 1.70 1.02 -1.16 -4.41 119.74 117.11 1p6t s LYS 142 Ca 0.41 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1p6t s LYS 142 Cb -0.11 -5.37 0.00 0.00 -0.52 0.00 0.00 37.83 31.83 1p6t s LYS 142 CO 0.29 -2.22 0.00 0.41 -0.92 0.00 0.00 175.35 172.91 1p6t n GLY 143 N 6.81 1.63 3.89 -3.33 0.00 -1.26 -4.63 105.19 108.29 1p6t n GLY 143 Ca 0.34 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1p6t n GLY 143 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1p6t n GLU 144 N 0.00 -1.37 0.03 1.61 0.28 -1.26 -4.64 120.64 115.29 1p6t n GLU 144 Ca 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1p6t n GLU 144 Cb 0.00 -4.55 0.00 0.00 1.43 0.00 0.00 31.44 28.32 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1p6t n GLN 145 N -3.53 0.00 -0.47 3.44 1.13 -1.26 -4.89 117.38 111.80 1p6t n GLN 145 Ca 0.08 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.14 1p6t n GLN 145 Cb 0.45 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.79 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1p6t n ASP 146 N -2.69 4.70 -2.86 1.08 9.92 -1.26 -4.59 116.55 120.85 1p6t n ASP 146 Ca 0.00 -2.25 -0.19 0.00 -0.53 0.00 0.00 54.79 51.83 1p6t n ASP 146 Cb 0.00 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1p6t n SER 147 N 1.62 -4.46 -0.04 -2.24 7.64 -1.26 -4.91 113.62 109.97 1p6t n SER 147 Ca 0.02 -0.11 -0.02 0.00 1.01 0.00 0.00 58.87 59.77 1p6t n SER 147 Cb 0.46 -3.70 -0.01 0.00 -1.01 0.00 0.00 64.21 59.95 1p6t n SER 147 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1p6t h ILE 148 N -0.60 0.00 -2.24 0.44 2.04 -1.88 -3.52 117.51 111.75 1p6t h ILE 148 Ca -0.40 -0.66 0.22 0.00 1.00 0.00 0.00 64.86 65.02 1p6t h ILE 148 Cb 1.28 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.24 1p6t h ILE 148 CO 0.47 0.00 -0.80 1.21 0.00 0.00 0.00 178.15 179.03 1p6t n GLU 149 N -3.82 -2.13 0.00 2.37 4.07 -1.26 -5.06 120.64 114.81 1p6t n GLU 149 Ca -0.03 1.74 0.00 0.00 -0.06 0.00 0.00 57.16 58.80 1p6t n GLU 149 Cb 0.12 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.01 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 -3.51 2.47 0.00 8.31 0.00 -1.26 -4.70 105.19 106.50 1p6t n GLY 150 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1p6t n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86