#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t n LEU 2 N 0.00 0.00 -3.79 4.03 7.94 -1.26 -5.20 117.00 118.72 1p6t n LEU 2 Ca 0.00 -0.09 -0.08 0.00 -1.11 0.00 0.00 56.01 54.73 1p6t n LEU 2 Cb 0.00 0.38 -0.02 0.00 0.53 0.00 0.00 43.42 44.30 1p6t n LEU 2 CO 0.00 -0.03 0.41 -0.55 -1.11 0.00 0.00 177.39 176.12 1p6t s SER 3 N -1.57 -0.30 -1.03 1.96 0.15 -1.26 -5.10 113.70 106.55 1p6t s SER 3 Ca 0.06 -0.53 -0.05 0.00 0.70 0.00 0.00 55.95 56.14 1p6t s SER 3 Cb -0.00 0.68 0.28 0.00 -1.71 0.00 0.00 66.02 65.27 1p6t s SER 3 CO -0.00 -1.24 1.19 -0.62 1.20 0.00 0.00 173.24 173.77 1p6t n GLU 4 N -0.43 3.72 -2.69 5.44 1.02 -1.26 -5.04 120.64 121.40 1p6t n GLU 4 Ca -0.06 -4.52 -0.40 0.00 -0.02 0.00 0.00 57.16 52.16 1p6t n GLU 4 Cb 0.61 -2.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 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 -2.02 4.77 0.29 3.49 -1.52 -1.26 -4.56 119.66 118.85 1p6t s GLN 5 Ca 0.31 1.54 -0.16 0.00 -1.95 0.00 0.00 55.36 55.10 1p6t s GLN 5 Cb -0.02 -3.19 -0.09 0.00 -0.22 0.00 0.00 33.01 29.49 1p6t s GLN 5 CO -0.01 0.42 0.72 -1.59 -0.25 0.00 0.00 175.29 174.58 1p6t s LYS 6 N -1.36 4.07 -0.07 2.91 -2.85 0.49 -4.82 119.74 118.11 1p6t s LYS 6 Ca 0.43 0.71 -0.09 0.00 -1.00 0.00 0.00 55.97 56.03 1p6t s LYS 6 Cb -0.26 -2.58 -0.05 0.00 -2.06 0.00 0.00 37.83 32.89 1p6t s LYS 6 CO 0.33 0.24 0.22 -1.21 0.10 0.00 0.00 175.35 175.03 1p6t s GLU 7 N -2.67 3.58 -0.05 1.78 8.01 -1.26 -0.89 118.70 127.20 1p6t s GLU 7 Ca 0.50 0.01 0.04 0.00 0.01 0.00 0.00 54.97 55.53 1p6t s GLU 7 Cb -0.12 -3.18 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 1p6t s GLU 7 CO 0.19 0.74 -0.16 -1.50 0.01 0.00 0.00 175.26 174.54 1p6t s ILE 8 N -1.08 1.35 -0.14 -1.63 2.07 -0.12 -5.00 121.20 116.65 1p6t s ILE 8 Ca 0.19 -0.65 0.03 0.00 -1.41 0.00 0.00 60.65 58.80 1p6t s ILE 8 Cb -0.13 -1.17 0.01 0.00 0.13 0.00 0.00 42.46 41.29 1p6t s ILE 8 CO 0.08 0.39 -0.22 0.00 -1.91 0.00 0.00 174.94 173.28 1p6t s ALA 9 N 0.20 2.24 0.23 1.50 0.00 -1.26 -0.48 121.76 124.19 1p6t s ALA 9 Ca -0.07 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 1p6t s ALA 9 Cb -0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1p6t s ALA 9 CO 0.03 -0.01 0.45 -1.64 0.00 0.00 0.00 175.76 174.59 1p6t s MET 10 N 0.78 1.49 0.09 0.00 -1.94 -0.04 -4.25 119.30 115.43 1p6t s MET 10 Ca -0.08 -1.24 -0.13 0.00 -1.71 0.00 0.00 55.69 52.54 1p6t s MET 10 Cb -0.16 0.46 -0.06 0.00 2.01 0.00 0.00 34.83 37.08 1p6t s MET 10 CO -0.01 -0.61 0.46 -0.65 -0.01 0.00 0.00 175.02 174.20 1p6t s GLN 11 N -4.01 3.88 -0.01 2.03 -0.21 -1.26 -0.43 119.66 119.65 1p6t s GLN 11 Ca 0.22 0.35 0.01 0.00 0.02 0.00 0.00 55.36 55.96 1p6t s GLN 11 Cb -0.00 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1p6t s GLN 11 CO 0.08 0.56 -0.05 0.54 -2.12 0.00 0.00 175.29 174.30 1p6t s VAL 12 N -1.35 0.42 0.71 1.09 0.11 -1.26 -1.15 120.40 118.97 1p6t s VAL 12 Ca 0.33 -0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1p6t s VAL 12 Cb -0.15 -0.39 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1p6t s VAL 12 CO 0.18 0.14 1.03 -0.44 -3.33 0.00 0.00 175.10 172.68 1p6t s SER 13 N 0.16 4.86 0.00 3.54 0.01 0.62 -4.20 113.70 118.69 1p6t s SER 13 Ca -0.02 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1p6t s SER 13 Cb -0.05 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1p6t s SER 13 CO -0.00 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 172.67 1p6t n GLY 14 N -2.95 1.98 3.56 3.44 0.00 -1.26 -3.88 105.19 106.08 1p6t n GLY 14 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1p6t n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 15 N -2.00 0.26 0.04 1.61 2.00 -1.26 -4.73 117.12 113.04 1p6t n MET 15 Ca 0.00 -1.35 0.13 0.00 0.00 0.00 0.00 57.70 56.49 1p6t n MET 15 Cb 0.00 -3.78 0.53 0.00 0.00 0.00 0.00 33.22 29.96 1p6t n MET 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1p6t n THR 16 N 8.90 0.29 -0.97 2.03 -1.04 -1.26 -4.91 114.28 117.32 1p6t n THR 16 Ca 0.43 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1p6t n THR 16 Cb 0.45 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t s ALA 18 N -3.28 1.79 0.00 0.00 0.00 -1.26 -4.89 121.76 114.11 1p6t s ALA 18 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1p6t s ALA 18 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1p6t s ALA 18 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 175.76 175.34 1p6t n ALA 19 N 4.79 0.00 0.39 0.00 0.00 -1.26 -4.68 120.51 119.76 1p6t n ALA 19 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1p6t n ALA 19 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.83 -0.60 -0.93 0.00 0.00 -1.93 -0.39 119.26 114.59 1p6t h ALA 21 Ca -0.10 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1p6t h ALA 21 Cb 0.77 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 1p6t h ALA 21 CO 0.17 -0.97 0.60 0.00 0.00 0.00 0.00 179.25 179.05 1p6t h ALA 22 N 0.25 1.48 -0.32 0.00 0.00 -1.81 0.17 119.26 119.04 1p6t h ALA 22 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1p6t h ALA 22 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1p6t h ALA 22 CO -0.67 0.39 0.06 0.00 0.00 0.00 0.00 179.25 179.03 1p6t h ARG 23 N 1.07 0.52 0.21 0.00 2.47 0.23 0.93 114.38 119.81 1p6t h ARG 23 Ca 0.39 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 1p6t h ARG 23 Cb 0.17 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1p6t h ARG 23 CO -0.15 0.59 -0.10 0.82 0.56 0.00 0.00 179.97 181.70 1p6t h ILE 24 N 0.35 0.86 -0.18 2.04 2.04 0.16 0.15 117.51 122.93 1p6t h ILE 24 Ca 0.10 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1p6t h ILE 24 Cb 0.32 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1p6t h ILE 24 CO 0.00 0.08 -0.22 -0.33 0.00 0.00 0.00 178.15 177.68 1p6t h GLU 25 N -0.44 -0.24 -0.21 2.37 5.08 -0.65 0.25 114.58 120.74 1p6t h GLU 25 Ca -0.03 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1p6t h GLU 25 Cb 0.34 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1p6t h GLU 25 CO 0.05 -0.16 0.09 -0.22 -1.00 0.00 0.00 179.01 177.76 1p6t h LYS 26 N -0.25 0.31 -0.89 2.33 3.64 -0.76 0.14 116.57 121.09 1p6t h LYS 26 Ca 0.12 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1p6t h LYS 26 Cb 0.42 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1p6t h LYS 26 CO -0.33 0.36 0.58 0.78 -2.27 0.00 0.00 179.45 178.58 1p6t h GLY 27 N 0.19 1.29 0.70 5.01 0.00 -0.18 -1.54 103.07 108.53 1p6t h GLY 27 Ca 0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1p6t h GLY 27 CO -0.01 0.39 -0.19 1.41 0.00 0.00 0.00 176.54 178.14 1p6t h LEU 28 N 1.13 0.35 -1.99 3.11 -0.00 -0.36 -2.97 115.31 114.60 1p6t h LEU 28 Ca 0.35 -0.54 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1p6t h LEU 28 Cb -0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 1p6t h LEU 28 CO -0.11 0.83 0.25 0.11 -0.00 0.00 0.00 178.44 179.52 1p6t h LYS 29 N -0.11 0.00 -0.15 1.13 1.57 -0.35 0.99 116.57 119.65 1p6t h LYS 29 Ca 0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1p6t h LYS 29 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1p6t h LYS 29 CO 0.04 0.00 0.10 -0.09 -0.57 0.00 0.00 179.45 178.93 1p6t h ARG 30 N 0.00 0.16 -7.04 3.15 2.43 -1.12 -3.44 114.38 108.52 1p6t h ARG 30 Ca 0.00 -0.01 -0.45 0.00 -0.81 0.00 0.00 59.98 58.71 1p6t h ARG 30 Cb 0.51 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1p6t h ARG 30 CO 0.00 0.11 0.35 -1.64 -1.51 0.00 0.00 179.97 177.28 1p6t s MET 31 N -5.20 4.19 0.09 0.20 -1.94 0.34 -5.00 119.30 111.98 1p6t s MET 31 Ca -0.06 1.19 -0.18 0.00 -1.71 0.00 0.00 55.69 54.93 1p6t s MET 31 Cb 0.17 -2.23 -0.08 0.00 2.01 0.00 0.00 34.83 34.70 1p6t s MET 31 CO 0.69 -0.07 1.50 -1.00 -0.01 0.00 0.00 175.02 176.13 1p6t h PRO 32 N 1.98 0.49 -0.16 2.03 0.13 -1.86 -3.18 132.00 131.43 1p6t h PRO 32 Ca -0.49 -0.18 -0.10 0.00 -0.87 0.00 0.00 66.00 64.37 1p6t h PRO 32 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1p6t h PRO 32 CO 0.61 0.69 -0.33 0.78 -0.23 0.00 0.00 178.00 179.52 1p6t h GLY 33 N 0.26 0.36 -7.41 1.56 0.00 -1.90 -3.41 103.07 92.53 1p6t h GLY 33 Ca 0.07 -0.31 -0.49 0.00 0.00 0.00 0.00 47.33 46.60 1p6t h GLY 33 CO 0.02 0.28 1.63 -0.62 0.00 0.00 0.00 176.54 177.86 1p6t n VAL 34 N -4.08 -0.02 -0.03 4.60 0.31 -1.20 -0.91 118.33 116.99 1p6t n VAL 34 Ca -0.01 -0.60 -0.20 0.00 -0.01 0.00 0.00 64.34 63.52 1p6t n VAL 34 Cb 0.44 -2.31 -0.13 0.00 -0.91 0.00 0.00 33.84 30.93 1p6t n VAL 34 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1p6t h THR 35 N 7.67 1.18 -1.35 2.52 2.02 -1.12 -3.46 112.91 120.37 1p6t h THR 35 Ca -0.22 -2.35 -0.05 0.00 0.77 0.00 0.00 66.41 64.56 1p6t h THR 35 Cb 1.28 2.77 -0.25 0.00 -1.74 0.00 0.00 68.15 70.21 1p6t h THR 35 CO 1.17 0.60 -0.41 -0.62 0.37 0.00 0.00 175.52 176.63 1p6t s ASP 36 N -6.84 -0.69 -0.11 4.18 2.15 -0.03 -5.02 116.67 110.31 1p6t s ASP 36 Ca -0.21 0.22 -0.29 0.00 0.43 0.00 0.00 52.55 52.69 1p6t s ASP 36 Cb 0.03 1.65 -0.01 0.00 -0.30 0.00 0.00 42.92 44.29 1p6t s ASP 36 CO 0.72 -0.30 1.00 0.00 -0.17 0.00 0.00 175.17 176.41 1p6t s ALA 37 N 2.71 3.42 0.20 3.66 0.00 -1.26 -1.32 121.76 129.15 1p6t s ALA 37 Ca 0.13 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.52 1p6t s ALA 37 Cb -0.13 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1p6t s ALA 37 CO -0.24 -0.61 -0.16 -0.80 0.00 0.00 0.00 175.76 173.95 1p6t s ASN 38 N 1.10 2.66 -0.26 0.00 0.01 0.62 -4.87 114.94 114.20 1p6t s ASN 38 Ca 0.48 -0.97 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 1p6t s ASN 38 Cb -0.18 -0.15 0.15 0.00 0.41 0.00 0.00 41.25 41.47 1p6t s ASN 38 CO 0.17 -0.11 0.42 0.54 -1.51 0.00 0.00 177.10 176.61 1p6t s VAL 39 N -2.63 -0.68 -1.37 1.60 0.11 -1.26 -0.68 120.40 115.50 1p6t s VAL 39 Ca 0.20 -0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 1p6t s VAL 39 Cb -0.03 -0.87 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1p6t s VAL 39 CO 0.07 -0.12 1.96 0.59 -3.33 0.00 0.00 175.10 174.27 1p6t n ASN 40 N 5.37 4.48 -0.05 3.54 4.13 0.12 -4.71 115.26 128.14 1p6t n ASN 40 Ca -0.03 -2.90 0.22 0.00 1.68 0.00 0.00 54.58 53.56 1p6t n ASN 40 Cb 0.50 -1.68 0.70 0.00 -1.54 0.00 0.00 39.78 37.75 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 10.96 0.01 -1.29 3.41 8.10 -1.93 0.51 115.31 135.08 1p6t h LEU 41 Ca 0.49 0.00 0.13 0.00 0.11 0.00 0.00 57.88 58.62 1p6t h LEU 41 Cb 0.75 -0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.90 1p6t h LEU 41 CO 1.65 0.00 0.57 0.00 -4.11 0.00 0.00 178.44 176.56 1p6t h ALA 42 N 1.68 1.81 -0.41 0.17 0.00 -1.94 -0.28 119.26 120.30 1p6t h ALA 42 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p6t h ALA 42 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1p6t h ALA 42 CO -0.01 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.46 1p6t n THR 43 N -4.55 1.05 -3.91 0.00 -2.24 -0.11 -5.00 114.28 99.51 1p6t n THR 43 Ca 0.17 -1.03 -0.27 0.00 -2.27 0.00 0.00 64.05 60.64 1p6t n THR 43 Cb 0.44 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.68 -2.76 -4.00 -0.78 1.02 -0.02 -5.00 120.64 109.78 1p6t n GLU 44 Ca 0.14 0.39 -0.30 0.00 -0.02 0.00 0.00 57.16 57.38 1p6t n GLU 44 Cb 0.48 -4.36 -0.16 0.00 -0.02 0.00 0.00 31.44 27.38 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 -3.86 1.53 -0.12 2.62 2.01 -0.19 -4.42 115.64 113.20 1p6t s THR 45 Ca 0.11 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1p6t s THR 45 Cb -0.04 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1p6t s THR 45 CO 0.89 0.40 0.46 0.54 -0.69 0.00 0.00 174.62 176.22 1p6t s VAL 46 N 1.50 5.20 -0.19 3.82 0.11 0.43 0.12 120.40 131.38 1p6t s VAL 46 Ca 0.04 0.91 0.01 0.00 -2.93 0.00 0.00 61.98 60.01 1p6t s VAL 46 Cb -0.13 -3.80 0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1p6t s VAL 46 CO -0.10 0.33 -0.09 0.20 -3.33 0.00 0.00 175.10 172.10 1p6t s ASN 47 N 0.62 3.31 -0.16 3.54 0.01 0.15 -0.86 114.94 121.54 1p6t s ASN 47 Ca 0.25 -0.85 -0.02 0.00 -0.71 0.00 0.00 52.86 51.52 1p6t s ASN 47 Cb -0.15 -1.18 -0.02 0.00 0.41 0.00 0.00 41.25 40.31 1p6t s ASN 47 CO 0.10 -0.15 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.77 1p6t s VAL 48 N 1.43 3.42 -0.20 1.60 1.01 0.36 -0.27 120.40 127.75 1p6t s VAL 48 Ca -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1p6t s VAL 48 Cb -0.16 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1p6t s VAL 48 CO -0.08 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.79 1p6t s ILE 49 N 0.69 3.09 0.22 2.22 1.01 -0.44 -0.95 121.20 127.05 1p6t s ILE 49 Ca -0.04 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 1p6t s ILE 49 Cb -0.15 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1p6t s ILE 49 CO 0.02 0.46 0.57 -0.72 0.00 0.00 0.00 174.94 175.27 1p6t s TYR 50 N 1.24 -0.07 -0.03 3.97 1.13 -0.07 -0.65 117.35 122.88 1p6t s TYR 50 Ca 0.03 -0.30 -0.30 0.00 -1.41 0.00 0.00 57.07 55.09 1p6t s TYR 50 Cb -0.14 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1p6t s TYR 50 CO -0.03 -1.01 1.02 0.34 -2.51 0.00 0.00 175.55 173.35 1p6t s ASP 51 N -2.91 7.30 0.00 -0.18 -1.08 -0.09 -0.38 116.67 119.33 1p6t s ASP 51 Ca 0.12 1.66 0.00 0.00 -0.52 0.00 0.00 52.55 53.80 1p6t s ASP 51 Cb -0.02 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1p6t s ASP 51 CO 0.01 -0.35 0.61 -0.81 0.52 0.00 0.00 175.17 175.16 1p6t n PRO 52 N 4.29 0.69 -0.16 4.34 -0.04 -1.26 -3.38 135.00 139.48 1p6t n PRO 52 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1p6t n PRO 52 Cb 0.50 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.54 1.31 0.00 0.55 0.00 -1.26 -4.91 120.51 116.74 1p6t n ALA 53 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1p6t n ALA 53 Cb 0.31 -0.07 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 0.00 3.99 0.00 0.00 1.02 -1.22 -5.07 120.64 119.36 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 0.53 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 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 -0.30 0.00 0.00 2.62 -1.04 -1.25 -4.63 114.28 109.67 1p6t n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1p6t n THR 55 Cb 0.02 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.86 2.56 0.31 3.41 0.00 -1.26 -4.50 105.19 106.57 1p6t n GLY 56 Ca 0.00 -1.42 0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 1.73 -0.39 -0.28 2.61 5.66 -1.26 0.14 114.28 122.49 1p6t n THR 57 Ca 0.00 1.97 -0.06 0.00 -3.05 0.00 0.00 64.05 62.91 1p6t n THR 57 Cb 0.00 -3.01 0.06 0.00 -1.55 0.00 0.00 70.33 65.83 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 1.85 1.01 -0.28 1.79 0.00 -1.89 0.78 119.26 122.53 1p6t h ALA 58 Ca 0.66 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 1p6t h ALA 58 Cb 1.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1p6t h ALA 58 CO -0.81 0.66 -0.44 0.00 0.00 0.00 0.00 179.25 178.66 1p6t h ALA 59 N 1.15 0.69 0.15 0.00 0.00 -0.53 0.13 119.26 120.85 1p6t h ALA 59 Ca 0.25 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1p6t h ALA 59 Cb 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1p6t h ALA 59 CO -0.01 0.67 -0.30 0.82 0.00 0.00 0.00 179.25 180.42 1p6t h ILE 60 N 0.57 0.35 -0.53 0.00 1.08 -0.41 0.13 117.51 118.71 1p6t h ILE 60 Ca 0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.45 1p6t h ILE 60 Cb 0.99 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 1p6t h ILE 60 CO 0.09 0.00 0.08 0.06 -0.69 0.00 0.00 178.15 177.70 1p6t h GLN 61 N -0.54 0.85 -0.65 2.37 -0.00 -0.82 -0.69 115.11 115.63 1p6t h GLN 61 Ca 0.02 -0.20 0.09 0.00 -0.00 0.00 0.00 58.65 58.57 1p6t h GLN 61 Cb 0.56 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.48 27.85 1p6t h GLN 61 CO -0.16 0.80 0.28 1.49 -0.00 0.00 0.00 178.83 181.23 1p6t h GLU 62 N 0.81 0.47 -0.17 0.06 4.81 -0.31 -0.80 114.58 119.45 1p6t h GLU 62 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1p6t h GLU 62 Cb 0.37 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1p6t h GLU 62 CO 0.01 0.31 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.31 1p6t h LYS 63 N 0.48 0.35 -0.50 1.92 1.63 0.67 0.17 116.57 121.29 1p6t h LYS 63 Ca 0.32 -0.14 0.10 0.00 -0.85 0.00 0.00 60.65 60.08 1p6t h LYS 63 Cb 0.38 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 31.90 1p6t h LYS 63 CO -0.29 0.64 -0.17 0.82 -3.45 0.00 0.00 179.45 176.99 1p6t h ILE 64 N 0.04 0.42 -0.18 2.00 2.04 -0.93 0.19 117.51 121.09 1p6t h ILE 64 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1p6t h ILE 64 Cb 0.52 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1p6t h ILE 64 CO 0.02 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.92 1p6t h GLU 65 N -0.06 0.26 -0.72 2.37 5.08 -0.66 -2.48 114.58 118.37 1p6t h GLU 65 Ca 0.24 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1p6t h GLU 65 Cb 0.42 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1p6t h GLU 65 CO -0.54 0.32 0.48 0.87 -1.00 0.00 0.00 179.01 179.14 1p6t h LYS 66 N 0.15 0.59 0.00 2.33 1.57 -0.10 0.11 116.57 121.22 1p6t h LYS 66 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1p6t h LYS 66 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1p6t h LYS 66 CO -0.01 0.39 0.00 -0.07 -0.57 0.00 0.00 179.45 179.19 1p6t h LEU 67 N 0.61 0.00 -0.10 2.94 3.38 -0.19 -3.46 115.31 118.49 1p6t h LEU 67 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1p6t h LEU 67 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1p6t h LEU 67 CO -0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.02 1p6t n GLY 68 N -0.49 0.90 3.42 0.83 0.00 0.40 -5.06 105.19 105.19 1p6t n GLY 68 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.90 1.74 -0.01 1.61 1.51 -1.08 -4.96 117.35 114.25 1p6t s TYR 69 Ca 0.00 -1.39 -0.04 0.00 -1.01 0.00 0.00 57.07 54.64 1p6t s TYR 69 Cb 0.00 -0.99 -0.00 0.00 -0.11 0.00 0.00 41.96 40.86 1p6t s TYR 69 CO 0.00 -0.47 0.07 -1.01 -1.11 0.00 0.00 175.55 173.03 1p6t s HIS 70 N -3.35 0.03 0.02 2.71 3.76 -1.25 -4.12 115.29 113.08 1p6t s HIS 70 Ca 0.30 -0.06 -0.22 0.00 -0.15 0.00 0.00 55.06 54.93 1p6t s HIS 70 Cb 0.03 -0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.62 1p6t s HIS 70 CO 0.18 -0.15 0.67 0.14 -0.85 0.00 0.00 174.74 174.72 1p6t s VAL 71 N -0.74 4.83 -1.31 -0.90 -7.23 -1.26 -0.28 120.40 113.51 1p6t s VAL 71 Ca -0.08 1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 61.35 1p6t s VAL 71 Cb -0.05 -4.01 0.11 0.00 0.56 0.00 0.00 36.38 33.00 1p6t s VAL 71 CO 0.00 0.40 1.80 0.52 -0.31 0.00 0.00 175.10 177.51 1p6t n VAL 72 N 2.73 4.02 -4.73 1.32 0.31 -0.30 -4.88 118.33 116.80 1p6t n VAL 72 Ca -0.05 -4.11 -0.25 0.00 -0.01 0.00 0.00 64.34 59.92 1p6t n VAL 72 Cb 0.51 -2.44 -0.15 0.00 -0.91 0.00 0.00 33.84 30.85 1p6t n VAL 72 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1p6t s THR 73 N 2.35 1.51 -0.59 2.52 -4.23 -1.26 -4.41 115.64 111.53 1p6t s THR 73 Ca 0.46 -0.98 -0.26 0.00 -1.18 0.00 0.00 61.69 59.72 1p6t s THR 73 Cb 0.06 -1.29 0.04 0.00 1.34 0.00 0.00 72.50 72.64 1p6t s THR 73 CO 0.00 0.28 1.08 -1.61 -0.54 0.00 0.00 174.62 173.84 1p6t s GLU 74 N -0.82 3.39 -1.56 3.99 2.02 0.72 -4.79 118.70 121.64 1p6t s GLU 74 Ca 0.07 -0.07 -0.10 0.00 0.02 0.00 0.00 54.97 54.89 1p6t s GLU 74 Cb -0.08 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.06 1p6t s GLU 74 CO 0.01 -1.64 2.76 0.36 0.02 0.00 0.00 175.26 176.77 1p6t n LYS 75 N 8.06 3.68 -2.21 1.61 2.85 -1.25 -2.15 118.16 128.76 1p6t n LYS 75 Ca 0.04 -2.44 -0.26 0.00 -1.05 0.00 0.00 58.31 54.60 1p6t n LYS 75 Cb 0.48 -2.86 0.10 0.00 -0.65 0.00 0.00 35.03 32.10 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 1.90 3.05 -0.07 0.58 0.00 0.13 -4.40 121.76 122.95 1p6t s ALA 76 Ca 0.64 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1p6t s ALA 76 Cb 0.17 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1p6t s ALA 76 CO -0.07 -1.58 -0.10 -1.21 0.00 0.00 0.00 175.76 172.80 1p6t s GLU 77 N -5.37 1.51 -0.08 0.00 2.02 -1.26 -0.46 118.70 115.07 1p6t s GLU 77 Ca 0.64 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.32 1p6t s GLU 77 Cb -0.08 -1.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 1p6t s GLU 77 CO 0.46 -0.04 -0.13 -0.06 0.02 0.00 0.00 175.26 175.52 1p6t s PHE 78 N 0.87 2.77 -0.14 1.61 0.40 0.27 -1.22 117.98 122.54 1p6t s PHE 78 Ca -0.11 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 1p6t s PHE 78 Cb -0.15 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1p6t s PHE 78 CO 0.01 0.10 0.11 0.34 0.70 0.00 0.00 175.22 176.48 1p6t s ASP 79 N -0.43 6.09 -0.08 1.36 -1.08 0.10 -0.36 116.67 122.27 1p6t s ASP 79 Ca 0.05 0.32 0.02 0.00 -0.52 0.00 0.00 52.55 52.42 1p6t s ASP 79 Cb -0.12 -1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 39.34 1p6t s ASP 79 CO 0.02 0.32 -0.14 -0.63 0.52 0.00 0.00 175.17 175.26 1p6t s ILE 80 N -0.51 3.01 -0.30 4.11 1.01 0.10 0.12 121.20 128.74 1p6t s ILE 80 Ca 0.12 -0.71 0.17 0.00 0.00 0.00 0.00 60.65 60.22 1p6t s ILE 80 Cb -0.12 -2.21 0.48 0.00 0.01 0.00 0.00 42.46 40.62 1p6t s ILE 80 CO 0.02 0.56 1.08 1.21 0.00 0.00 0.00 174.94 177.81 1p6t n GLU 81 N 2.83 2.04 0.00 2.79 2.13 -0.38 -4.78 120.64 125.26 1p6t n GLU 81 Ca -0.18 -3.64 0.00 0.00 0.66 0.00 0.00 57.16 54.00 1p6t n GLU 81 Cb 0.52 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 -0.46 -0.01 3.23 8.31 0.00 -1.26 -4.51 105.19 110.49 1p6t n GLY 82 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 -3.79 0.00 1.61 0.00 -1.26 -4.95 117.12 106.89 1p6t n MET 83 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 57.70 56.58 1p6t n MET 83 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.35 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 -5.35 0.00 0.00 3.17 5.66 -1.26 -5.00 114.28 111.50 1p6t n THR 84 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1p6t n THR 84 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.00 4.52 -1.75 0.00 0.00 -1.26 -4.94 120.51 117.08 1p6t n ALA 86 Ca 0.00 -3.58 -0.15 0.00 0.00 0.00 0.00 53.44 49.70 1p6t n ALA 86 Cb 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.71 -0.38 -0.08 0.00 0.00 -1.26 -4.84 120.51 113.23 1p6t n ALA 87 Ca 0.36 0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.89 1p6t n ALA 87 Cb 0.93 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 0.71 1.66 -0.21 0.00 0.00 -1.96 0.74 119.26 120.20 1p6t h ALA 89 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1p6t h ALA 89 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1p6t h ALA 89 CO 0.04 0.18 -0.07 -0.91 0.00 0.00 0.00 179.25 178.50 1p6t h ASN 90 N 0.85 0.43 0.15 0.00 4.21 -1.67 0.19 115.58 119.74 1p6t h ASN 90 Ca 0.38 -0.38 0.02 0.00 1.21 0.00 0.00 56.30 57.52 1p6t h ASN 90 Cb 0.36 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.40 1p6t h ASN 90 CO -0.15 0.72 -0.39 0.03 -1.29 0.00 0.00 177.43 176.34 1p6t h ARG 91 N 0.14 -0.62 -0.27 0.81 3.08 -0.42 -0.46 114.38 116.64 1p6t h ARG 91 Ca 0.05 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1p6t h ARG 91 Cb 0.54 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1p6t h ARG 91 CO 0.02 -0.41 0.02 -0.84 -1.07 0.00 0.00 179.97 177.69 1p6t h ILE 92 N -0.65 1.15 0.55 2.04 3.07 -0.77 0.02 117.51 122.93 1p6t h ILE 92 Ca 0.02 -0.59 -0.02 0.00 1.55 0.00 0.00 64.86 65.82 1p6t h ILE 92 Cb 0.66 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 38.14 1p6t h ILE 92 CO -0.21 0.20 -0.34 -0.08 -1.05 0.00 0.00 178.15 176.67 1p6t h GLU 93 N 0.39 -0.80 -0.78 0.16 4.81 -0.17 0.32 114.58 118.51 1p6t h GLU 93 Ca 0.09 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.51 1p6t h GLU 93 Cb 0.23 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1p6t h GLU 93 CO 0.00 -0.53 0.52 0.87 -0.73 0.00 0.00 179.01 179.14 1p6t h LYS 94 N -0.83 0.53 0.00 1.92 1.79 -0.84 0.14 116.57 119.28 1p6t h LYS 94 Ca -0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1p6t h LYS 94 Cb 0.67 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1p6t h LYS 94 CO 0.07 0.35 0.00 0.54 -1.08 0.00 0.00 179.45 179.34 1p6t n ARG 95 N -4.50 0.00 -0.34 3.15 5.12 -0.03 -4.05 116.66 116.01 1p6t n ARG 95 Ca 0.14 0.47 0.21 0.00 -1.93 0.00 0.00 57.85 56.75 1p6t n ARG 95 Cb 0.46 -1.20 0.44 0.00 -1.16 0.00 0.00 32.46 31.00 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 0.58 -0.72 0.55 3.38 -0.13 -0.46 115.31 118.51 1p6t h LEU 96 Ca 0.00 0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.36 1p6t h LEU 96 Cb 0.00 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 1p6t h LEU 96 CO 0.00 -0.01 0.16 -3.20 0.09 0.00 0.00 178.44 175.49 1p6t n ASN 97 N -4.92 0.05 -2.83 -0.43 2.85 0.48 -3.08 115.26 107.38 1p6t n ASN 97 Ca 0.29 1.21 -0.10 0.00 -0.11 0.00 0.00 54.58 55.87 1p6t n ASN 97 Cb 0.88 -0.50 0.02 0.00 1.24 0.00 0.00 39.78 41.43 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1p6t n LYS 98 N -4.84 0.71 0.22 1.20 2.85 -0.23 -4.29 118.16 113.78 1p6t n LYS 98 Ca 0.21 -2.01 -0.15 0.00 -1.05 0.00 0.00 58.31 55.31 1p6t n LYS 98 Cb 0.70 -1.44 -0.08 0.00 -0.65 0.00 0.00 35.03 33.56 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1p6t h ILE 99 N 3.24 0.59 0.00 0.58 1.08 -1.34 -3.48 117.51 118.17 1p6t h ILE 99 Ca -0.08 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1p6t h ILE 99 Cb 1.02 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1p6t h ILE 99 CO 0.30 0.06 0.00 1.21 -0.69 0.00 0.00 178.15 179.02 1p6t n GLU 100 N -5.26 0.00 -2.47 2.37 2.13 -1.26 -5.00 120.64 111.15 1p6t n GLU 100 Ca -0.11 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.31 1p6t n GLU 100 Cb 0.27 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.00 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 101 N 0.19 5.97 3.37 8.31 0.00 -1.26 -4.39 105.19 117.37 1p6t n GLY 101 Ca 0.00 -2.57 -0.34 0.00 0.00 0.00 0.00 46.02 43.11 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 -4.55 3.48 -0.06 1.61 1.01 -1.26 -0.69 120.40 119.94 1p6t s VAL 102 Ca 0.43 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 1p6t s VAL 102 Cb 0.26 -2.55 -0.22 0.00 0.00 0.00 0.00 36.38 33.87 1p6t s VAL 102 CO -0.20 0.45 1.07 0.00 0.00 0.00 0.00 175.10 176.42 1p6t h ALA 103 N 7.59 -0.02 -2.75 5.51 0.00 -0.57 -3.41 119.26 125.61 1p6t h ALA 103 Ca -0.37 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1p6t h ALA 103 Cb 1.18 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1p6t h ALA 103 CO 0.60 -0.18 -0.13 -0.80 0.00 0.00 0.00 179.25 178.73 1p6t s ASN 104 N -5.83 -0.12 -0.46 0.00 0.01 -1.00 -4.39 114.94 103.15 1p6t s ASN 104 Ca -0.16 -0.61 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 1p6t s ASN 104 Cb 0.00 0.50 0.25 0.00 0.41 0.00 0.00 41.25 42.41 1p6t s ASN 104 CO 0.66 -0.95 0.97 0.00 -1.51 0.00 0.00 177.10 176.27 1p6t n ALA 105 N -0.26 -1.81 -1.88 0.60 0.00 -1.26 -0.67 120.51 115.22 1p6t n ALA 105 Ca -0.10 -1.19 -0.41 0.00 0.00 0.00 0.00 53.44 51.74 1p6t n ALA 105 Cb 0.63 -1.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 0.56 4.63 0.17 0.00 0.04 -1.15 -4.60 135.00 134.66 1p6t s PRO 106 Ca 0.30 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1p6t s PRO 106 Cb 0.23 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1p6t s PRO 106 CO -0.21 0.17 0.33 0.14 0.04 0.00 0.00 177.00 177.47 1p6t s VAL 107 N -0.77 5.28 0.26 -0.36 -7.23 -1.26 -1.11 120.40 115.20 1p6t s VAL 107 Ca 0.46 -0.53 0.09 0.00 -1.81 0.00 0.00 61.98 60.19 1p6t s VAL 107 Cb -0.31 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 1p6t s VAL 107 CO 0.38 -0.11 0.02 0.20 -0.31 0.00 0.00 175.10 175.28 1p6t s ASN 108 N -3.17 4.69 -0.10 4.85 -0.87 0.32 -4.97 114.94 115.70 1p6t s ASN 108 Ca 0.36 -0.57 0.14 0.00 -1.57 0.00 0.00 52.86 51.21 1p6t s ASN 108 Cb -0.11 -0.93 0.26 0.00 -0.02 0.00 0.00 41.25 40.44 1p6t s ASN 108 CO 0.29 0.00 1.13 0.33 -2.57 0.00 0.00 177.10 176.28 1p6t n PHE 109 N -0.88 0.00 0.00 2.20 -0.00 -1.26 -4.05 117.46 113.47 1p6t n PHE 109 Ca -0.07 -0.81 0.00 0.00 -0.00 0.00 0.00 57.45 56.58 1p6t n PHE 109 Cb 0.59 -0.14 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1p6t n ALA 110 N -0.85 1.07 -0.01 3.13 0.00 -1.26 -4.79 120.51 117.80 1p6t n ALA 110 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1p6t n ALA 110 Cb 0.71 0.01 -0.17 0.00 0.00 0.00 0.00 19.45 20.01 1p6t n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p6t n LEU 111 N -0.59 0.00 -2.65 0.00 4.77 -1.26 -5.02 117.00 112.24 1p6t n LEU 111 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1p6t n LEU 111 Cb 0.03 0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1p6t n LEU 111 CO 0.00 0.01 0.06 -0.62 -1.33 0.00 0.00 177.39 175.51 1p6t n GLU 112 N -2.27 -3.62 -4.14 3.23 4.71 -1.26 -4.93 120.64 112.37 1p6t n GLU 112 Ca -0.05 0.58 -0.11 0.00 -0.01 0.00 0.00 57.16 57.58 1p6t n GLU 112 Cb 0.58 -4.68 -0.09 0.00 -1.01 0.00 0.00 31.44 26.24 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1p6t s THR 113 N -3.25 0.05 -0.02 2.62 -4.23 -1.26 -0.72 115.64 108.83 1p6t s THR 113 Ca 0.09 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1p6t s THR 113 Cb -0.01 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1p6t s THR 113 CO 0.50 -0.23 0.01 0.54 -0.54 0.00 0.00 174.62 174.90 1p6t s VAL 114 N -4.08 0.08 0.28 2.29 0.11 0.52 -0.52 120.40 119.09 1p6t s VAL 114 Ca 0.29 0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 59.21 1p6t s VAL 114 Cb 0.06 -0.18 -0.09 0.00 -1.53 0.00 0.00 36.38 34.64 1p6t s VAL 114 CO 0.06 0.11 0.87 -0.89 -3.33 0.00 0.00 175.10 171.92 1p6t s THR 115 N 0.88 4.33 -0.06 5.04 2.01 -0.27 -0.56 115.64 127.01 1p6t s THR 115 Ca -0.08 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.59 1p6t s THR 115 Cb -0.12 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.44 1p6t s THR 115 CO -0.02 0.18 -0.07 0.54 -0.69 0.00 0.00 174.62 174.56 1p6t s VAL 116 N -1.56 0.78 -0.38 3.82 0.11 0.40 -2.91 120.40 120.66 1p6t s VAL 116 Ca 0.47 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1p6t s VAL 116 Cb -0.18 -0.77 0.11 0.00 -1.53 0.00 0.00 36.38 34.00 1p6t s VAL 116 CO 0.23 0.29 0.12 -1.61 -3.33 0.00 0.00 175.10 170.79 1p6t s GLU 117 N 0.97 1.69 0.06 1.54 2.02 0.15 0.22 118.70 125.35 1p6t s GLU 117 Ca -0.10 -1.93 -0.04 0.00 0.02 0.00 0.00 54.97 52.92 1p6t s GLU 117 Cb -0.15 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 1p6t s GLU 117 CO 0.00 -0.99 0.05 1.52 0.02 0.00 0.00 175.26 175.86 1p6t s TYR 118 N 0.86 0.36 -0.41 1.61 1.13 -0.91 0.08 117.35 120.06 1p6t s TYR 118 Ca 0.11 -0.83 -0.29 0.00 -1.41 0.00 0.00 57.07 54.66 1p6t s TYR 118 Cb -0.21 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.43 1p6t s TYR 118 CO -0.06 -0.42 1.09 1.21 -2.51 0.00 0.00 175.55 174.85 1p6t s ASN 119 N -2.74 6.73 0.00 -0.18 2.47 0.13 -0.20 114.94 121.15 1p6t s ASN 119 Ca 0.04 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.98 1p6t s ASN 119 Cb 0.05 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1p6t s ASN 119 CO -0.09 -1.08 0.85 -0.81 -3.72 0.00 0.00 177.10 172.25 1p6t n PRO 120 N 7.37 0.87 -0.09 0.43 -0.04 -1.26 -1.80 135.00 140.49 1p6t n PRO 120 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 1p6t n PRO 120 Cb 0.48 -1.02 -0.13 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.47 0.68 0.04 0.54 4.76 -1.26 -4.55 118.16 117.90 1p6t n LYS 121 Ca 0.00 0.17 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1p6t n LYS 121 Cb 0.01 -1.57 -0.09 0.00 -1.84 0.00 0.00 35.03 31.54 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N 0.02 -0.12 0.00 1.97 3.07 -1.80 -3.48 114.58 114.24 1p6t h GLU 122 Ca -0.54 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.23 1p6t h GLU 122 Cb 1.95 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.86 1p6t h GLU 122 CO -0.04 0.26 -0.08 0.00 -1.40 0.00 0.00 179.01 177.75 1p6t n ALA 123 N -2.37 0.10 -3.76 3.43 0.00 -0.74 -4.95 120.51 112.22 1p6t n ALA 123 Ca -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1p6t n ALA 123 Cb 0.23 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.44 -0.17 0.31 0.00 1.04 -1.26 -4.21 113.70 107.97 1p6t s SER 124 Ca 0.04 -0.76 0.07 0.00 0.48 0.00 0.00 55.95 55.77 1p6t s SER 124 Cb 0.00 0.74 0.81 0.00 0.10 0.00 0.00 66.02 67.67 1p6t s SER 124 CO 0.03 -1.39 1.73 -0.37 0.98 0.00 0.00 173.24 174.21 1p6t h VAL 125 N 2.03 0.55 -0.61 5.02 -1.51 -1.99 0.22 116.25 119.96 1p6t h VAL 125 Ca -0.22 -0.19 0.09 0.00 -1.23 0.00 0.00 66.70 65.14 1p6t h VAL 125 Cb 1.25 -0.06 -0.07 0.00 -2.13 0.00 0.00 31.29 30.28 1p6t h VAL 125 CO 0.28 0.10 0.25 0.28 -1.23 0.00 0.00 177.57 177.26 1p6t h SER 126 N 0.56 0.28 -0.84 4.19 0.02 -1.99 0.48 113.55 116.27 1p6t h SER 126 Ca 0.61 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.60 1p6t h SER 126 Cb 1.11 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1p6t h SER 126 CO -0.47 0.17 0.41 -0.78 -1.14 0.00 0.00 176.83 175.02 1p6t h ASP 127 N 0.45 1.09 -0.41 3.07 3.58 -0.98 0.23 116.42 123.46 1p6t h ASP 127 Ca 0.30 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1p6t h ASP 127 Cb 0.35 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1p6t h ASP 127 CO -0.28 0.92 0.19 -0.07 -2.88 0.00 0.00 179.24 177.11 1p6t h LEU 128 N 1.19 0.54 -0.11 2.28 3.38 -0.86 0.39 115.31 122.12 1p6t h LEU 128 Ca 0.29 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1p6t h LEU 128 Cb 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1p6t h LEU 128 CO -0.04 0.53 0.06 0.11 0.09 0.00 0.00 178.44 179.19 1p6t h LYS 129 N 0.52 0.15 -0.36 1.13 1.57 -0.17 0.13 116.57 119.54 1p6t h LYS 129 Ca 0.14 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1p6t h LYS 129 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1p6t h LYS 129 CO -0.02 0.18 0.07 0.93 -0.57 0.00 0.00 179.45 180.05 1p6t h GLU 130 N 0.08 0.54 0.16 3.15 3.07 -0.33 0.25 114.58 121.49 1p6t h GLU 130 Ca 0.04 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1p6t h GLU 130 Cb 0.08 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1p6t h GLU 130 CO -0.01 0.51 -0.08 0.00 -1.40 0.00 0.00 179.01 178.04 1p6t h ALA 131 N 1.56 -0.21 0.00 3.43 0.00 0.08 -2.69 119.26 121.43 1p6t h ALA 131 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1p6t h ALA 131 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1p6t h ALA 131 CO -0.00 -0.46 -0.37 -0.24 0.00 0.00 0.00 179.25 178.17 1p6t h VAL 132 N -0.53 1.23 -0.80 0.00 3.04 -0.65 -2.44 116.25 116.09 1p6t h VAL 132 Ca -0.02 -1.30 0.07 0.00 -1.01 0.00 0.00 66.70 64.43 1p6t h VAL 132 Cb 0.41 1.71 -0.06 0.00 -2.01 0.00 0.00 31.29 31.33 1p6t h VAL 132 CO 0.04 0.37 0.48 -0.78 -1.01 0.00 0.00 177.57 176.66 1p6t h ASP 133 N 0.00 0.74 -1.06 3.17 3.58 -0.85 0.20 116.42 122.19 1p6t h ASP 133 Ca -0.00 0.03 0.28 0.00 0.42 0.00 0.00 57.03 57.75 1p6t h ASP 133 Cb 0.68 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.52 1p6t h ASP 133 CO 0.05 0.46 0.69 0.50 -2.88 0.00 0.00 179.24 178.07 1p6t h LYS 134 N 0.87 0.32 0.00 0.28 1.63 -1.10 0.19 116.57 118.76 1p6t h LYS 134 Ca 0.36 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1p6t h LYS 134 Cb 0.21 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1p6t h LYS 134 CO -0.19 0.21 -0.31 -0.07 -3.45 0.00 0.00 179.45 175.65 1p6t h LEU 135 N 0.33 0.00 -1.03 5.20 -0.00 -0.66 -3.48 115.31 115.67 1p6t h LEU 135 Ca 0.59 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 58.28 1p6t h LEU 135 Cb 1.63 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 42.33 1p6t h LEU 135 CO -0.26 0.05 -0.19 0.61 -0.00 0.00 0.00 178.44 178.64 1p6t n GLY 136 N 1.30 0.53 3.53 0.83 0.00 0.65 -5.08 105.19 106.96 1p6t n GLY 136 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.09 2.12 -0.21 1.61 2.02 -1.21 -5.04 117.35 113.55 1p6t s TYR 137 Ca 0.15 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1p6t s TYR 137 Cb -0.07 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1p6t s TYR 137 CO 0.20 0.14 -0.15 -1.59 -1.57 0.00 0.00 175.55 172.58 1p6t s LYS 138 N -3.82 2.81 -0.14 -0.62 -2.85 -1.26 -4.25 119.74 109.61 1p6t s LYS 138 Ca 0.33 -0.96 -0.04 0.00 -1.00 0.00 0.00 55.97 54.29 1p6t s LYS 138 Cb 0.08 -2.72 -0.03 0.00 -2.06 0.00 0.00 37.83 33.09 1p6t s LYS 138 CO 0.15 -0.32 0.00 -1.17 0.10 0.00 0.00 175.35 174.11 1p6t s LEU 139 N 1.26 3.50 0.44 2.77 2.96 -1.26 -1.25 118.68 127.10 1p6t s LEU 139 Ca 0.01 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1p6t s LEU 139 Cb -0.15 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1p6t s LEU 139 CO -0.09 0.23 0.03 -0.54 -1.32 0.00 0.00 176.35 174.65 1p6t s LYS 140 N 0.02 2.01 0.06 1.98 1.02 0.12 -4.91 119.74 120.03 1p6t s LYS 140 Ca 0.03 -2.21 0.04 0.00 0.02 0.00 0.00 55.97 53.84 1p6t s LYS 140 Cb -0.13 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.79 1p6t s LYS 140 CO 0.02 -0.25 0.01 -0.51 -0.92 0.00 0.00 175.35 173.69 1p6t s LEU 141 N -3.73 3.50 -1.31 3.17 1.02 -1.26 0.01 118.68 120.07 1p6t s LEU 141 Ca 0.22 -0.11 -0.17 0.00 0.02 0.00 0.00 54.13 54.09 1p6t s LEU 141 Cb 0.05 -2.16 0.02 0.00 0.02 0.00 0.00 46.19 44.13 1p6t s LEU 141 CO 0.11 0.21 1.98 0.29 0.02 0.00 0.00 176.35 178.97 1p6t n LYS 142 N 0.85 2.77 0.00 1.70 5.02 -0.35 -4.62 118.16 123.52 1p6t n LYS 142 Ca -0.12 -2.79 0.00 0.00 -2.02 0.00 0.00 58.31 53.38 1p6t n LYS 142 Cb 0.52 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 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 4.79 1.51 4.15 0.72 0.00 -1.26 -4.33 105.19 110.77 1p6t n GLY 143 Ca 0.50 -0.01 -0.30 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 -2.48 0.04 1.61 1.02 -1.26 -4.46 120.64 115.10 1p6t n GLU 144 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1p6t n GLU 144 Cb 0.00 -4.41 0.00 0.00 -0.02 0.00 0.00 31.44 27.01 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1p6t n GLN 145 N -4.43 0.00 -0.03 3.49 1.13 -1.25 -4.86 117.38 111.43 1p6t n GLN 145 Ca -0.21 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.71 1p6t n GLN 145 Cb 0.63 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.89 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1p6t h ASP 146 N 0.00 0.43 -0.72 1.08 5.19 -1.92 -3.07 116.42 117.42 1p6t h ASP 146 Ca 0.00 -0.63 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1p6t h ASP 146 Cb 0.00 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1p6t h ASP 146 CO 0.00 0.99 0.00 -1.20 -3.12 0.00 0.00 179.24 175.91 1p6t n SER 147 N -4.41 4.01 0.00 6.45 7.64 -1.26 -5.00 113.62 121.05 1p6t n SER 147 Ca -0.08 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1p6t n SER 147 Cb 0.50 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.55 0.00 -4.29 0.44 5.41 -1.16 -4.67 119.36 116.65 1p6t n ILE 148 Ca 0.24 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.81 1p6t n ILE 148 Cb 0.65 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.50 1p6t n ILE 148 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1p6t s GLU 149 N 0.00 1.69 0.02 0.38 2.02 -1.26 -3.83 118.70 117.72 1p6t s GLU 149 Ca 0.00 -1.98 -0.28 0.00 0.02 0.00 0.00 54.97 52.73 1p6t s GLU 149 Cb 0.00 0.26 -0.16 0.00 0.10 0.00 0.00 34.13 34.33 1p6t s GLU 149 CO 0.00 -0.60 1.25 0.78 0.02 0.00 0.00 175.26 176.70 1p6t h GLY 150 N 2.18 -0.92 0.00 -1.39 0.00 -1.83 -3.43 103.07 97.69 1p6t h GLY 150 Ca -0.27 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1p6t h GLY 150 CO 0.40 -0.33 0.00 -2.13 0.00 0.00 0.00 176.54 174.47