#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 -3.19 4.03 0.00 -1.26 -5.12 117.00 111.46 1p6t n LEU 2 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.05 1p6t n LEU 2 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 43.42 43.44 1p6t n LEU 2 CO 0.00 -0.14 0.78 -0.55 0.00 0.00 0.00 177.39 177.48 1p6t s SER 3 N 0.06 -0.20 -0.19 1.96 0.15 -1.26 -5.06 113.70 109.17 1p6t s SER 3 Ca 0.00 0.20 0.17 0.00 0.70 0.00 0.00 55.95 57.03 1p6t s SER 3 Cb 0.00 1.20 0.39 0.00 -1.71 0.00 0.00 66.02 65.90 1p6t s SER 3 CO 0.00 -0.04 1.23 1.21 1.20 0.00 0.00 173.24 176.84 1p6t n GLU 4 N 5.02 1.01 -1.99 5.44 2.13 -1.26 -5.13 120.64 125.87 1p6t n GLU 4 Ca -0.08 -2.18 -0.40 0.00 0.66 0.00 0.00 57.16 55.16 1p6t n GLU 4 Cb 0.55 -0.40 -0.01 0.00 0.27 0.00 0.00 31.44 31.85 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 -1.36 4.11 0.50 5.31 -1.52 -1.26 -4.31 119.66 121.12 1p6t s GLN 5 Ca 0.19 2.30 0.06 0.00 -1.95 0.00 0.00 55.36 55.96 1p6t s GLN 5 Cb 0.32 -2.90 0.01 0.00 -0.22 0.00 0.00 33.01 30.21 1p6t s GLN 5 CO -0.09 -0.43 0.32 -1.59 -0.25 0.00 0.00 175.29 173.25 1p6t s LYS 6 N -2.07 2.28 0.01 2.91 -2.85 -0.75 -4.97 119.74 114.29 1p6t s LYS 6 Ca 0.54 -1.96 0.06 0.00 -1.00 0.00 0.00 55.97 53.61 1p6t s LYS 6 Cb -0.41 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.28 1p6t s LYS 6 CO 0.54 -0.44 -0.18 -1.83 0.10 0.00 0.00 175.35 173.54 1p6t s GLU 7 N -4.15 1.38 -0.19 1.78 -1.05 -1.26 -2.27 118.70 112.95 1p6t s GLU 7 Ca 0.35 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 1p6t s GLU 7 Cb -0.01 -1.39 0.04 0.00 -0.44 0.00 0.00 34.13 32.34 1p6t s GLU 7 CO 0.21 0.37 -0.08 -1.50 0.95 0.00 0.00 175.26 175.21 1p6t s ILE 8 N -0.57 1.44 -0.28 1.83 1.10 0.21 -4.97 121.20 119.96 1p6t s ILE 8 Ca 0.07 -0.90 -0.10 0.00 -0.51 0.00 0.00 60.65 59.21 1p6t s ILE 8 Cb -0.08 -1.57 -0.04 0.00 0.15 0.00 0.00 42.46 40.93 1p6t s ILE 8 CO 0.00 0.12 0.16 0.00 -2.11 0.00 0.00 174.94 173.12 1p6t s ALA 9 N 1.48 3.40 0.03 1.50 0.00 -1.26 -0.76 121.76 126.15 1p6t s ALA 9 Ca -0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1p6t s ALA 9 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 1p6t s ALA 9 CO -0.08 -0.61 0.05 -1.64 0.00 0.00 0.00 175.76 173.48 1p6t s MET 10 N 1.70 0.48 0.08 0.00 -1.94 0.05 -3.68 119.30 115.98 1p6t s MET 10 Ca 0.06 -0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 1p6t s MET 10 Cb -0.16 0.18 -0.07 0.00 2.01 0.00 0.00 34.83 36.80 1p6t s MET 10 CO 0.09 -0.10 0.66 -0.65 -0.01 0.00 0.00 175.02 175.01 1p6t s GLN 11 N -2.11 4.37 0.16 2.03 -0.21 -1.26 0.14 119.66 122.78 1p6t s GLN 11 Ca -0.09 0.91 0.11 0.00 0.02 0.00 0.00 55.36 56.30 1p6t s GLN 11 Cb -0.04 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.64 1p6t s GLN 11 CO -0.03 0.51 -0.24 0.54 -2.12 0.00 0.00 175.29 173.95 1p6t s VAL 12 N -0.78 2.38 0.45 1.09 0.11 -1.13 -0.75 120.40 121.76 1p6t s VAL 12 Ca 0.33 -1.84 0.07 0.00 -2.93 0.00 0.00 61.98 57.60 1p6t s VAL 12 Cb -0.20 -2.10 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1p6t s VAL 12 CO 0.21 0.00 0.33 -0.44 -3.33 0.00 0.00 175.10 171.87 1p6t s SER 13 N -2.34 4.75 0.00 3.54 0.01 0.57 -4.67 113.70 115.57 1p6t s SER 13 Ca 0.17 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1p6t s SER 13 Cb -0.09 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1p6t s SER 13 CO 0.08 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1p6t n GLY 14 N -1.51 0.39 3.66 3.44 0.00 -1.26 -4.27 105.19 105.64 1p6t n GLY 14 Ca 0.01 0.00 -0.42 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 -0.71 4.18 0.00 1.61 1.00 -1.26 -4.87 119.30 119.25 1p6t s MET 15 Ca 0.00 2.09 0.23 0.00 0.00 0.00 0.00 55.69 58.02 1p6t s MET 15 Cb 0.00 -3.95 1.13 0.00 0.00 0.00 0.00 34.83 32.01 1p6t s MET 15 CO 0.00 -0.83 1.76 2.41 0.00 0.00 0.00 175.02 178.36 1p6t n THR 16 N 5.48 0.07 -3.99 2.05 -1.04 -1.26 -4.94 114.28 110.64 1p6t n THR 16 Ca 0.17 -0.15 -0.30 0.00 -2.04 0.00 0.00 64.05 61.72 1p6t n THR 16 Cb 0.43 0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 -4.48 0.00 -0.24 0.00 0.00 -1.26 -4.93 120.51 109.60 1p6t n ALA 18 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1p6t n ALA 18 Cb 0.57 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.12 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 1.87 0.93 0.48 0.00 0.00 -1.99 0.12 119.26 120.67 1p6t h ALA 19 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1p6t h ALA 19 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1p6t h ALA 19 CO 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 179.25 179.10 1p6t h ALA 21 N -0.55 -0.10 -0.65 0.00 0.00 -1.89 0.19 119.26 116.25 1p6t h ALA 21 Ca -0.07 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 21 Cb 0.59 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1p6t h ALA 21 CO 0.11 -0.68 0.34 0.00 0.00 0.00 0.00 179.25 179.02 1p6t h ALA 22 N 0.87 0.88 -0.35 0.00 0.00 -0.81 0.15 119.26 120.00 1p6t h ALA 22 Ca 0.19 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 22 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1p6t h ALA 22 CO -0.55 -0.01 -0.16 0.00 0.00 0.00 0.00 179.25 178.54 1p6t h ARG 23 N 0.62 0.73 0.33 0.00 2.47 0.32 0.50 114.38 119.35 1p6t h ARG 23 Ca 0.30 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1p6t h ARG 23 Cb 0.24 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1p6t h ARG 23 CO -0.21 0.92 -0.16 0.82 0.56 0.00 0.00 179.97 181.90 1p6t h ILE 24 N 0.51 0.66 -0.22 2.04 2.04 -0.21 0.19 117.51 122.52 1p6t h ILE 24 Ca 0.08 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1p6t h ILE 24 Cb 0.69 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1p6t h ILE 24 CO 0.05 0.09 -0.07 -0.33 0.00 0.00 0.00 178.15 177.89 1p6t h GLU 25 N -0.74 -0.02 0.20 2.37 5.08 -0.71 0.20 114.58 120.96 1p6t h GLU 25 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1p6t h GLU 25 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1p6t h GLU 25 CO 0.08 -0.02 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.75 1p6t h LYS 26 N -0.02 -0.26 -0.62 2.33 3.64 -0.90 0.14 116.57 120.87 1p6t h LYS 26 Ca 0.11 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1p6t h LYS 26 Cb 0.19 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 1p6t h LYS 26 CO -0.24 -0.14 0.30 0.78 -2.27 0.00 0.00 179.45 177.88 1p6t h GLY 27 N -0.31 0.90 0.81 5.01 0.00 -0.06 -1.23 103.07 108.19 1p6t h GLY 27 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1p6t h GLY 27 CO 0.05 0.08 -0.33 1.41 0.00 0.00 0.00 176.54 177.75 1p6t h LEU 28 N 0.56 0.53 -2.23 3.11 -0.00 -0.56 -2.97 115.31 113.75 1p6t h LEU 28 Ca 0.29 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1p6t h LEU 28 Cb 0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1p6t h LEU 28 CO -0.22 1.01 0.21 0.11 -0.00 0.00 0.00 178.44 179.54 1p6t h LYS 29 N 0.07 0.00 -0.15 1.13 1.57 -0.25 0.10 116.57 119.04 1p6t h LYS 29 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1p6t h LYS 29 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1p6t h LYS 29 CO 0.07 0.00 0.11 -0.09 -0.57 0.00 0.00 179.45 178.97 1p6t h ARG 30 N 0.00 0.07 -6.88 3.15 2.43 -1.06 -3.44 114.38 108.64 1p6t h ARG 30 Ca 0.00 -0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 1p6t h ARG 30 Cb 0.41 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1p6t h ARG 30 CO 0.00 0.04 0.29 -1.64 -1.51 0.00 0.00 179.97 177.15 1p6t s MET 31 N -5.11 4.36 0.09 0.20 -1.94 0.36 -5.01 119.30 112.25 1p6t s MET 31 Ca -0.05 1.13 -0.15 0.00 -1.71 0.00 0.00 55.69 54.91 1p6t s MET 31 Cb 0.18 -2.57 -0.13 0.00 2.01 0.00 0.00 34.83 34.32 1p6t s MET 31 CO 0.69 0.18 1.34 -1.00 -0.01 0.00 0.00 175.02 176.22 1p6t h PRO 32 N 2.70 0.69 -0.09 2.03 0.13 -1.86 -3.14 132.00 132.47 1p6t h PRO 32 Ca -0.48 -0.46 -0.08 0.00 -0.87 0.00 0.00 66.00 64.11 1p6t h PRO 32 Cb 1.19 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1p6t h PRO 32 CO 0.64 1.08 -0.31 0.78 -0.23 0.00 0.00 178.00 179.96 1p6t h GLY 33 N 0.40 0.18 -7.20 1.56 0.00 -1.88 -3.41 103.07 92.72 1p6t h GLY 33 Ca 0.00 -0.14 -0.55 0.00 0.00 0.00 0.00 47.33 46.64 1p6t h GLY 33 CO 0.10 0.13 1.55 -0.62 0.00 0.00 0.00 176.54 177.70 1p6t n VAL 34 N -4.13 0.16 -0.02 4.60 0.31 -1.19 -0.58 118.33 117.48 1p6t n VAL 34 Ca -0.01 -0.54 -0.22 0.00 -0.01 0.00 0.00 64.34 63.56 1p6t n VAL 34 Cb 0.39 -2.47 -0.13 0.00 -0.91 0.00 0.00 33.84 30.71 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 7.37 0.82 -1.37 2.52 2.02 -1.21 -3.46 112.91 119.60 1p6t h THR 35 Ca -0.32 -2.32 -0.09 0.00 0.77 0.00 0.00 66.41 64.45 1p6t h THR 35 Cb 1.26 2.50 -0.25 0.00 -1.74 0.00 0.00 68.15 69.92 1p6t h THR 35 CO 1.05 0.69 -0.47 -0.62 0.37 0.00 0.00 175.52 176.55 1p6t s ASP 36 N -7.00 -0.56 -0.18 4.18 -1.08 0.07 -5.01 116.67 107.09 1p6t s ASP 36 Ca -0.23 -0.15 -0.26 0.00 -0.52 0.00 0.00 52.55 51.39 1p6t s ASP 36 Cb 0.06 1.54 -0.01 0.00 -1.46 0.00 0.00 42.92 43.05 1p6t s ASP 36 CO 0.73 -0.32 0.88 0.00 0.52 0.00 0.00 175.17 176.97 1p6t s ALA 37 N 2.64 3.55 0.06 3.66 0.00 -1.26 -0.93 121.76 129.48 1p6t s ALA 37 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1p6t s ALA 37 Cb -0.11 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1p6t s ALA 37 CO -0.28 -0.75 -0.04 -0.80 0.00 0.00 0.00 175.76 173.89 1p6t s ASN 38 N 1.19 0.69 -0.05 0.00 0.01 -0.56 -4.78 114.94 111.44 1p6t s ASN 38 Ca 0.39 -0.90 -0.01 0.00 -0.71 0.00 0.00 52.86 51.63 1p6t s ASN 38 Cb -0.16 0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.67 1p6t s ASN 38 CO 0.11 -0.49 0.03 0.54 -1.51 0.00 0.00 177.10 175.79 1p6t s VAL 39 N -3.29 0.08 -1.27 1.60 0.11 -1.26 -0.25 120.40 116.12 1p6t s VAL 39 Ca 0.04 0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 59.20 1p6t s VAL 39 Cb 0.03 -0.28 0.09 0.00 -1.53 0.00 0.00 36.38 34.69 1p6t s VAL 39 CO -0.06 0.20 1.67 0.20 -3.33 0.00 0.00 175.10 173.77 1p6t s ASN 40 N 1.92 6.88 0.52 3.54 -0.87 0.22 -4.78 114.94 122.37 1p6t s ASN 40 Ca 0.03 -2.55 0.31 0.00 -1.57 0.00 0.00 52.86 49.08 1p6t s ASN 40 Cb -0.12 -2.54 1.45 0.00 -0.02 0.00 0.00 41.25 40.01 1p6t s ASN 40 CO -0.04 -1.09 1.84 0.17 -2.57 0.00 0.00 177.10 175.42 1p6t h LEU 41 N 11.95 0.07 -1.66 0.60 8.10 -1.91 0.25 115.31 132.72 1p6t h LEU 41 Ca 0.42 0.01 0.17 0.00 0.11 0.00 0.00 57.88 58.59 1p6t h LEU 41 Cb 0.87 -0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.05 1p6t h LEU 41 CO 1.41 0.02 0.52 0.00 -4.11 0.00 0.00 178.44 176.28 1p6t h ALA 42 N 1.51 2.25 0.00 0.17 0.00 -1.96 -0.47 119.26 120.76 1p6t h ALA 42 Ca 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1p6t h ALA 42 Cb 1.88 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1p6t h ALA 42 CO -0.05 -0.47 -0.17 0.25 0.00 0.00 0.00 179.25 178.82 1p6t n THR 43 N -4.45 1.65 -4.04 0.00 -2.24 0.24 -5.00 114.28 100.43 1p6t n THR 43 Ca 0.15 -2.10 -0.33 0.00 -2.27 0.00 0.00 64.05 59.50 1p6t n THR 43 Cb 0.61 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.16 -1.85 -3.67 -0.78 1.02 0.63 -4.90 120.64 109.93 1p6t n GLU 44 Ca 0.14 0.20 -0.39 0.00 -0.02 0.00 0.00 57.16 57.10 1p6t n GLU 44 Cb 0.67 -4.82 -0.10 0.00 -0.02 0.00 0.00 31.44 27.16 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 -3.03 3.87 -0.34 2.62 2.01 -0.30 -2.85 115.64 117.63 1p6t s THR 45 Ca 0.65 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 1p6t s THR 45 Cb -0.37 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1p6t s THR 45 CO 0.79 -0.55 1.09 0.54 -0.69 0.00 0.00 174.62 175.81 1p6t s VAL 46 N 1.33 4.46 -0.35 3.82 0.11 0.12 -0.61 120.40 129.28 1p6t s VAL 46 Ca 0.04 1.66 0.02 0.00 -2.93 0.00 0.00 61.98 60.77 1p6t s VAL 46 Cb -0.23 -4.42 0.10 0.00 -1.53 0.00 0.00 36.38 30.29 1p6t s VAL 46 CO -0.00 -0.54 0.07 0.54 -3.33 0.00 0.00 175.10 171.84 1p6t s ASN 47 N 1.80 4.86 -0.20 3.54 2.20 0.66 -0.77 114.94 127.02 1p6t s ASN 47 Ca 0.46 -2.05 -0.05 0.00 -0.94 0.00 0.00 52.86 50.28 1p6t s ASN 47 Cb -0.12 -1.67 -0.02 0.00 -2.00 0.00 0.00 41.25 37.44 1p6t s ASN 47 CO 0.18 -0.40 -0.01 -0.69 -2.94 0.00 0.00 177.10 173.24 1p6t s VAL 48 N 0.98 3.82 -0.21 3.54 1.01 0.06 -1.50 120.40 128.10 1p6t s VAL 48 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1p6t s VAL 48 Cb -0.20 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1p6t s VAL 48 CO -0.07 0.43 0.05 -0.63 0.00 0.00 0.00 175.10 174.88 1p6t s ILE 49 N 1.07 4.42 0.20 2.22 1.01 -0.11 -0.61 121.20 129.40 1p6t s ILE 49 Ca 0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 1p6t s ILE 49 Cb -0.14 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1p6t s ILE 49 CO 0.01 0.40 0.53 -0.72 0.00 0.00 0.00 174.94 175.17 1p6t s TYR 50 N 1.00 -0.13 -0.20 3.97 1.13 -0.96 -0.75 117.35 121.41 1p6t s TYR 50 Ca 0.03 -0.22 -0.25 0.00 -1.41 0.00 0.00 57.07 55.23 1p6t s TYR 50 Cb -0.14 0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 41.12 1p6t s TYR 50 CO 0.03 -0.93 0.82 0.34 -2.51 0.00 0.00 175.55 173.30 1p6t s ASP 51 N -2.87 6.89 0.00 -0.18 -1.08 0.25 -1.81 116.67 117.86 1p6t s ASP 51 Ca 0.09 1.10 0.00 0.00 -0.52 0.00 0.00 52.55 53.22 1p6t s ASP 51 Cb -0.01 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1p6t s ASP 51 CO -0.03 -0.44 0.70 -0.81 0.52 0.00 0.00 175.17 175.11 1p6t n PRO 52 N 5.54 0.79 0.00 4.34 -0.04 -1.26 -3.09 135.00 141.28 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 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.50 0.35 0.00 0.55 0.00 -1.26 -4.86 120.51 115.79 1p6t n ALA 53 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1p6t n ALA 53 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1p6t n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p6t n GLU 54 N 0.00 0.16 0.00 0.00 1.02 -1.18 -5.02 120.64 115.63 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 0.34 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 -2.48 0.00 0.00 2.62 -1.04 -1.24 -4.84 114.28 107.30 1p6t n THR 55 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1p6t n THR 55 Cb 0.50 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 3.15 2.32 0.24 3.41 0.00 -1.26 -4.49 105.19 108.56 1p6t n GLY 56 Ca 0.00 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 1.99 -0.29 -0.09 2.61 5.66 -1.26 0.31 114.28 123.21 1p6t n THR 57 Ca 0.00 1.55 -0.05 0.00 -3.05 0.00 0.00 64.05 62.50 1p6t n THR 57 Cb 0.00 -2.22 0.14 0.00 -1.55 0.00 0.00 70.33 66.70 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 1.39 1.02 -0.35 1.79 0.00 -1.90 0.12 119.26 121.33 1p6t h ALA 58 Ca 0.39 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1p6t h ALA 58 Cb 0.72 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1p6t h ALA 58 CO -0.68 0.59 -0.44 0.00 0.00 0.00 0.00 179.25 178.72 1p6t h ALA 59 N 1.20 0.56 0.28 0.00 0.00 -0.37 0.29 119.26 121.22 1p6t h ALA 59 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1p6t h ALA 59 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1p6t h ALA 59 CO 0.03 0.68 -0.40 0.82 0.00 0.00 0.00 179.25 180.38 1p6t h ILE 60 N 0.72 0.18 -0.13 0.00 1.08 -0.59 0.95 117.51 119.72 1p6t h ILE 60 Ca 0.05 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.43 1p6t h ILE 60 Cb 1.03 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1p6t h ILE 60 CO 0.10 0.00 -0.30 0.06 -0.69 0.00 0.00 178.15 177.32 1p6t h GLN 61 N -0.74 0.24 -0.74 2.37 -0.00 -0.96 -0.78 115.11 114.50 1p6t h GLN 61 Ca -0.01 -0.09 0.05 0.00 -0.00 0.00 0.00 58.65 58.59 1p6t h GLN 61 Cb 0.70 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 28.12 1p6t h GLN 61 CO -0.14 0.53 0.45 1.49 -0.00 0.00 0.00 178.83 181.16 1p6t h GLU 62 N 0.22 0.82 -0.06 0.06 4.81 0.01 -1.77 114.58 118.68 1p6t h GLU 62 Ca 0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1p6t h GLU 62 Cb 0.65 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1p6t h GLU 62 CO 0.05 0.55 0.03 -0.22 -0.73 0.00 0.00 179.01 178.68 1p6t h LYS 63 N 0.85 0.08 -0.57 1.92 1.63 0.65 0.13 116.57 121.25 1p6t h LYS 63 Ca 0.31 -0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.21 1p6t h LYS 63 Cb 0.10 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 31.62 1p6t h LYS 63 CO -0.14 0.19 0.00 0.82 -3.45 0.00 0.00 179.45 176.87 1p6t h ILE 64 N -0.04 0.54 -0.18 2.00 2.04 -1.23 0.18 117.51 120.81 1p6t h ILE 64 Ca 0.02 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1p6t h ILE 64 Cb 0.13 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1p6t h ILE 64 CO -0.00 0.02 0.06 -0.33 0.00 0.00 0.00 178.15 177.90 1p6t h GLU 65 N 0.12 0.29 0.00 2.37 5.08 -0.66 -2.67 114.58 119.11 1p6t h GLU 65 Ca 0.30 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1p6t h GLU 65 Cb 0.47 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1p6t h GLU 65 CO -0.49 0.39 -0.06 0.87 -1.00 0.00 0.00 179.01 178.72 1p6t h LYS 66 N 0.13 0.00 0.00 2.33 1.57 -0.02 0.14 116.57 120.72 1p6t h LYS 66 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1p6t h LYS 66 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1p6t h LYS 66 CO -0.00 0.06 0.00 1.28 -0.57 0.00 0.00 179.45 180.22 1p6t n LEU 67 N -4.39 0.00 -0.17 2.94 4.77 0.58 -4.84 117.00 115.88 1p6t n LEU 67 Ca -0.03 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1p6t n LEU 67 Cb 0.14 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p6t n LEU 67 CO 0.34 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1p6t n GLY 68 N -0.20 1.04 3.48 -0.72 0.00 0.49 -5.08 105.19 104.20 1p6t n GLY 68 Ca 0.08 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.34 1.77 -0.00 1.61 2.02 -1.17 -5.03 117.35 114.20 1p6t s TYR 69 Ca 0.00 -1.37 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 1p6t s TYR 69 Cb 0.00 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1p6t s TYR 69 CO 0.00 -0.41 -0.07 -1.01 -1.57 0.00 0.00 175.55 172.49 1p6t s HIS 70 N -3.24 0.63 0.33 2.71 3.76 -1.26 -4.28 115.29 113.94 1p6t s HIS 70 Ca 0.26 -0.14 -0.17 0.00 -0.15 0.00 0.00 55.06 54.86 1p6t s HIS 70 Cb 0.02 -0.40 -0.09 0.00 1.11 0.00 0.00 32.58 33.21 1p6t s HIS 70 CO 0.17 -0.01 0.79 0.14 -0.85 0.00 0.00 174.74 174.97 1p6t s VAL 71 N -0.22 4.59 -0.13 -0.90 -7.23 -1.26 -0.32 120.40 114.93 1p6t s VAL 71 Ca 0.02 1.14 -0.02 0.00 -1.81 0.00 0.00 61.98 61.31 1p6t s VAL 71 Cb -0.03 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.27 1p6t s VAL 71 CO -0.00 -0.15 2.39 0.52 -0.31 0.00 0.00 175.10 177.54 1p6t n VAL 72 N -0.26 2.54 -4.04 1.32 0.31 0.07 -4.86 118.33 113.40 1p6t n VAL 72 Ca 0.03 -1.26 -0.33 0.00 -0.01 0.00 0.00 64.34 62.78 1p6t n VAL 72 Cb 0.53 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 1p6t n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1p6t s THR 73 N -0.67 4.88 0.02 2.52 2.01 -1.26 -4.25 115.64 118.89 1p6t s THR 73 Ca 0.27 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1p6t s THR 73 Cb 0.17 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1p6t s THR 73 CO -0.02 0.30 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.45 1p6t s GLU 74 N -1.90 0.44 -0.87 4.92 2.12 0.29 -4.92 118.70 118.78 1p6t s GLU 74 Ca 0.25 -0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.00 1p6t s GLU 74 Cb -0.12 -0.33 0.19 0.00 0.26 0.00 0.00 34.13 34.14 1p6t s GLU 74 CO 0.17 0.08 0.90 -1.59 -0.54 0.00 0.00 175.26 174.27 1p6t s LYS 75 N -0.77 3.63 0.27 4.30 -2.85 -1.26 -0.95 119.74 122.11 1p6t s LYS 75 Ca -0.04 -2.27 -0.07 0.00 -1.00 0.00 0.00 55.97 52.59 1p6t s LYS 75 Cb -0.05 -4.59 -0.06 0.00 -2.06 0.00 0.00 37.83 31.06 1p6t s LYS 75 CO 0.00 -1.45 0.55 0.00 0.10 0.00 0.00 175.35 174.56 1p6t s ALA 76 N 0.92 3.60 -0.20 0.59 0.00 0.13 -4.90 121.76 121.91 1p6t s ALA 76 Ca 0.23 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 1p6t s ALA 76 Cb -0.08 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1p6t s ALA 76 CO -0.09 0.35 -0.02 -1.21 0.00 0.00 0.00 175.76 174.78 1p6t s GLU 77 N -3.26 3.54 0.18 0.00 0.41 -1.26 -0.26 118.70 118.06 1p6t s GLU 77 Ca 0.45 -0.56 0.11 0.00 -0.41 0.00 0.00 54.97 54.56 1p6t s GLU 77 Cb -0.11 -3.01 -0.04 0.00 -1.78 0.00 0.00 34.13 29.18 1p6t s GLU 77 CO 0.27 -0.01 -0.23 -0.06 -0.49 0.00 0.00 175.26 174.73 1p6t s PHE 78 N 1.03 2.21 -0.05 1.61 0.40 0.37 -1.14 117.98 122.41 1p6t s PHE 78 Ca 0.01 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1p6t s PHE 78 Cb -0.14 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1p6t s PHE 78 CO 0.01 0.45 -0.14 0.34 0.70 0.00 0.00 175.22 176.58 1p6t s ASP 79 N -2.59 4.05 -0.11 1.36 2.15 0.53 -0.29 116.67 121.76 1p6t s ASP 79 Ca 0.19 -0.19 0.02 0.00 0.43 0.00 0.00 52.55 52.99 1p6t s ASP 79 Cb -0.08 -0.85 0.01 0.00 -0.30 0.00 0.00 42.92 41.70 1p6t s ASP 79 CO 0.09 0.34 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.65 1p6t s ILE 80 N -0.74 1.55 -0.26 4.11 1.01 0.38 0.33 121.20 127.58 1p6t s ILE 80 Ca 0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1p6t s ILE 80 Cb -0.11 -1.41 0.03 0.00 0.01 0.00 0.00 42.46 40.98 1p6t s ILE 80 CO 0.01 0.45 -0.03 -1.61 0.00 0.00 0.00 174.94 173.76 1p6t s GLU 81 N 1.01 2.79 0.00 2.79 2.02 -0.34 -4.75 118.70 122.23 1p6t s GLU 81 Ca -0.06 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1p6t s GLU 81 Cb -0.15 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1p6t s GLU 81 CO -0.02 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1p6t n GLY 82 N 4.69 0.71 3.62 -1.39 0.00 -1.26 -2.33 105.19 109.23 1p6t n GLY 82 Ca -0.16 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 2.25 0.15 1.61 2.81 -1.26 -4.85 117.12 117.82 1p6t n MET 83 Ca 0.00 0.70 0.08 0.00 -1.81 0.00 0.00 57.70 56.67 1p6t n MET 83 Cb 0.00 -3.17 0.06 0.00 -0.71 0.00 0.00 33.22 29.39 1p6t n MET 83 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1p6t h THR 84 N 6.68 0.25 -2.94 2.03 1.35 -2.01 -3.49 112.91 114.79 1p6t h THR 84 Ca -0.44 -1.40 0.02 0.00 -0.55 0.00 0.00 66.41 64.04 1p6t h THR 84 Cb 1.24 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 1p6t h THR 84 CO 0.95 0.14 0.30 0.00 -0.25 0.00 0.00 175.52 176.67 1p6t n ALA 86 N -0.53 4.68 0.00 0.00 0.00 -1.26 -3.44 120.51 119.97 1p6t n ALA 86 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1p6t n ALA 86 Cb 0.60 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 2.34 2.99 -0.26 0.00 0.00 -1.26 -4.39 120.51 119.93 1p6t n ALA 87 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 1p6t n ALA 87 Cb 0.62 0.45 0.05 0.00 0.00 0.00 0.00 19.45 20.57 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 1.10 1.21 -0.12 0.00 0.00 -1.86 0.77 119.26 120.36 1p6t h ALA 89 Ca 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p6t h ALA 89 Cb 0.35 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1p6t h ALA 89 CO -0.00 0.66 0.06 -0.91 0.00 0.00 0.00 179.25 179.06 1p6t h ASN 90 N 1.28 0.15 0.56 0.00 2.35 -1.48 0.15 115.58 118.59 1p6t h ASN 90 Ca 0.33 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1p6t h ASN 90 Cb -0.02 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1p6t h ASN 90 CO -0.06 0.21 -0.44 0.03 -1.65 0.00 0.00 177.43 175.52 1p6t h ARG 91 N 0.07 -0.94 -0.53 0.81 2.47 -0.80 -1.41 114.38 114.05 1p6t h ARG 91 Ca 0.04 0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1p6t h ARG 91 Cb 0.10 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 1p6t h ARG 91 CO -0.01 -0.63 0.16 -0.84 0.56 0.00 0.00 179.97 179.21 1p6t h ILE 92 N -0.98 1.21 0.60 2.04 -0.00 -0.79 -1.86 117.51 117.74 1p6t h ILE 92 Ca -0.07 -0.74 -0.02 0.00 -0.00 0.00 0.00 64.86 64.03 1p6t h ILE 92 Cb 0.83 0.64 -0.01 0.00 -0.00 0.00 0.00 36.82 38.28 1p6t h ILE 92 CO 0.00 0.28 -0.42 -0.08 -0.00 0.00 0.00 178.15 177.93 1p6t h GLU 93 N 0.77 -0.93 -0.54 0.16 4.81 -0.62 0.15 114.58 118.37 1p6t h GLU 93 Ca 0.18 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.63 1p6t h GLU 93 Cb 0.24 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1p6t h GLU 93 CO -0.01 -0.62 0.40 0.87 -0.73 0.00 0.00 179.01 178.92 1p6t h LYS 94 N -0.97 0.00 0.00 1.92 6.56 -0.96 0.12 116.57 123.25 1p6t h LYS 94 Ca -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1p6t h LYS 94 Cb 0.79 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 1p6t h LYS 94 CO 0.05 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 177.98 1p6t n ARG 95 N -4.31 0.00 -0.32 3.15 5.12 -0.72 -4.19 116.66 115.39 1p6t n ARG 95 Ca 0.10 0.46 0.11 0.00 -1.93 0.00 0.00 57.85 56.59 1p6t n ARG 95 Cb 0.63 -1.15 0.23 0.00 -1.16 0.00 0.00 32.46 31.02 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 -0.49 -1.51 0.55 3.38 -0.24 -0.69 115.31 116.30 1p6t h LEU 96 Ca 0.00 0.26 0.49 0.00 0.09 0.00 0.00 57.88 58.72 1p6t h LEU 96 Cb 0.00 0.46 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 1p6t h LEU 96 CO 0.00 -0.30 1.01 -3.20 0.09 0.00 0.00 178.44 176.04 1p6t n ASN 97 N -5.46 0.15 -2.85 -0.43 2.85 0.39 -2.79 115.26 107.11 1p6t n ASN 97 Ca 0.20 1.25 -0.12 0.00 -0.11 0.00 0.00 54.58 55.80 1p6t n ASN 97 Cb 0.65 -0.62 0.05 0.00 1.24 0.00 0.00 39.78 41.10 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 -4.45 0.94 0.38 1.20 0.00 -0.29 -4.49 118.16 111.45 1p6t n LYS 98 Ca 0.41 -2.26 -0.15 0.00 -0.00 0.00 0.00 58.31 56.31 1p6t n LYS 98 Cb 1.66 -1.26 -0.07 0.00 -0.00 0.00 0.00 35.03 35.35 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 2.55 0.00 0.00 0.58 2.04 -1.33 -3.48 117.51 117.87 1p6t h ILE 99 Ca -0.06 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1p6t h ILE 99 Cb 1.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1p6t h ILE 99 CO 0.26 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.79 1p6t n GLU 100 N -5.03 0.00 -1.27 2.37 -0.58 -1.26 -4.98 120.64 109.89 1p6t n GLU 100 Ca -0.12 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.35 1p6t n GLU 100 Cb 0.39 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.17 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 101 N 0.00 3.86 3.45 0.62 0.00 -1.24 -4.59 105.19 107.29 1p6t n GLY 101 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N 0.93 4.06 -0.08 1.61 1.01 -1.26 -0.78 120.40 125.89 1p6t s VAL 102 Ca 0.66 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 1p6t s VAL 102 Cb 0.26 -2.85 -0.20 0.00 0.00 0.00 0.00 36.38 33.58 1p6t s VAL 102 CO -0.06 0.41 0.89 0.00 0.00 0.00 0.00 175.10 176.35 1p6t h ALA 103 N 7.62 -0.06 -2.82 5.51 0.00 -0.81 -3.45 119.26 125.26 1p6t h ALA 103 Ca -0.37 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1p6t h ALA 103 Cb 1.18 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1p6t h ALA 103 CO 0.61 -0.15 -0.10 -0.80 0.00 0.00 0.00 179.25 178.81 1p6t s ASN 104 N -5.83 -0.12 -0.47 0.00 0.01 -0.52 -4.41 114.94 103.59 1p6t s ASN 104 Ca -0.15 -0.79 0.05 0.00 -0.71 0.00 0.00 52.86 51.25 1p6t s ASN 104 Cb -0.01 0.57 0.23 0.00 0.41 0.00 0.00 41.25 42.45 1p6t s ASN 104 CO 0.59 -1.09 0.89 0.00 -1.51 0.00 0.00 177.10 175.99 1p6t n ALA 105 N -0.35 -1.87 -2.25 0.60 0.00 -1.26 -0.42 120.51 114.97 1p6t n ALA 105 Ca -0.05 -1.13 -0.42 0.00 0.00 0.00 0.00 53.44 51.85 1p6t n ALA 105 Cb 0.62 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 0.14 0.00 0.04 -1.18 -4.53 135.00 134.64 1p6t s PRO 106 Ca 0.31 1.79 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 1p6t s PRO 106 Cb 0.16 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1p6t s PRO 106 CO -0.18 -0.14 0.36 0.14 0.04 0.00 0.00 177.00 177.22 1p6t s VAL 107 N 0.49 5.19 0.20 -0.36 -7.23 -1.26 -1.63 120.40 115.80 1p6t s VAL 107 Ca 0.55 -0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.76 1p6t s VAL 107 Cb -0.30 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1p6t s VAL 107 CO 0.32 0.04 0.07 0.20 -0.31 0.00 0.00 175.10 175.42 1p6t s ASN 108 N -2.48 5.06 -0.08 4.85 -0.87 0.50 -4.98 114.94 116.95 1p6t s ASN 108 Ca 0.40 -0.34 0.11 0.00 -1.57 0.00 0.00 52.86 51.46 1p6t s ASN 108 Cb -0.12 -1.17 0.18 0.00 -0.02 0.00 0.00 41.25 40.12 1p6t s ASN 108 CO 0.25 0.04 1.07 0.33 -2.57 0.00 0.00 177.10 176.23 1p6t n PHE 109 N -0.52 0.00 -0.12 2.20 7.35 -1.26 -3.81 117.46 121.30 1p6t n PHE 109 Ca -0.08 -0.66 -0.18 0.00 -0.76 0.00 0.00 57.45 55.78 1p6t n PHE 109 Cb 0.56 -0.11 -0.11 0.00 0.35 0.00 0.00 39.48 40.18 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 -0.92 1.47 -1.49 3.13 0.00 -1.26 -4.69 120.51 116.75 1p6t n ALA 110 Ca 0.10 -1.02 0.03 0.00 0.00 0.00 0.00 53.44 52.55 1p6t n ALA 110 Cb 0.61 -0.03 0.04 0.00 0.00 0.00 0.00 19.45 20.07 1p6t n ALA 110 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1p6t n LEU 111 N -3.28 0.87 -4.04 0.00 -0.00 -1.26 -5.03 117.00 104.25 1p6t n LEU 111 Ca -0.43 -1.63 -0.27 0.00 -0.00 0.00 0.00 56.01 53.68 1p6t n LEU 111 Cb 0.94 -0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 44.19 1p6t n LEU 111 CO 0.22 0.39 -0.26 -0.62 -0.00 0.00 0.00 177.39 177.12 1p6t n GLU 112 N -0.49 -2.87 -3.71 1.47 4.71 -1.25 -4.77 120.64 113.73 1p6t n GLU 112 Ca 0.05 0.35 -0.20 0.00 -0.01 0.00 0.00 57.16 57.34 1p6t n GLU 112 Cb 0.64 -4.41 -0.03 0.00 -1.01 0.00 0.00 31.44 26.63 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 -3.98 3.76 -0.03 2.62 -4.23 -1.25 -0.47 115.64 112.07 1p6t s THR 113 Ca 0.06 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1p6t s THR 113 Cb -0.03 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1p6t s THR 113 CO 0.91 -0.17 0.00 0.54 -0.54 0.00 0.00 174.62 175.36 1p6t s VAL 114 N -2.25 0.16 -0.07 2.29 0.11 0.61 -0.37 120.40 120.87 1p6t s VAL 114 Ca 0.42 0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 59.28 1p6t s VAL 114 Cb -0.07 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1p6t s VAL 114 CO 0.28 0.13 0.88 -0.89 -3.33 0.00 0.00 175.10 172.17 1p6t s THR 115 N 0.94 4.91 -0.29 5.04 2.01 -0.65 -0.48 115.64 127.12 1p6t s THR 115 Ca -0.09 1.80 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 1p6t s THR 115 Cb -0.13 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1p6t s THR 115 CO -0.02 0.13 0.10 0.54 -0.69 0.00 0.00 174.62 174.69 1p6t s VAL 116 N 1.37 4.29 -0.66 3.82 0.11 0.65 -3.13 120.40 126.85 1p6t s VAL 116 Ca 0.44 -0.47 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 1p6t s VAL 116 Cb -0.19 -3.15 0.17 0.00 -1.53 0.00 0.00 36.38 31.68 1p6t s VAL 116 CO 0.20 0.14 0.54 -0.70 -3.33 0.00 0.00 175.10 171.94 1p6t s GLU 117 N 1.57 2.91 0.21 1.54 2.12 0.44 -0.69 118.70 126.81 1p6t s GLU 117 Ca 0.04 -2.34 -0.09 0.00 0.36 0.00 0.00 54.97 52.94 1p6t s GLU 117 Cb -0.17 -4.02 -0.01 0.00 0.26 0.00 0.00 34.13 30.19 1p6t s GLU 117 CO 0.04 -1.22 0.35 1.52 -0.54 0.00 0.00 175.26 175.41 1p6t s TYR 118 N 0.34 0.52 -0.52 5.30 1.13 -0.13 -0.11 117.35 123.89 1p6t s TYR 118 Ca 0.15 -0.85 -0.21 0.00 -1.41 0.00 0.00 57.07 54.75 1p6t s TYR 118 Cb -0.18 -0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.70 1p6t s TYR 118 CO -0.05 -0.84 0.72 1.21 -2.51 0.00 0.00 175.55 174.08 1p6t s ASN 119 N -3.03 6.26 0.00 -0.18 3.84 0.04 -0.55 114.94 121.32 1p6t s ASN 119 Ca 0.24 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.59 1p6t s ASN 119 Cb 0.02 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 1p6t s ASN 119 CO 0.07 -0.98 1.02 -0.81 -2.79 0.00 0.00 177.10 173.60 1p6t n PRO 120 N 6.55 0.95 -0.02 0.43 -0.04 -1.26 -2.66 135.00 138.94 1p6t n PRO 120 Ca -0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.36 1p6t n PRO 120 Cb 0.46 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.60 0.17 0.04 0.54 4.76 -1.26 -4.74 118.16 118.26 1p6t n LYS 121 Ca 0.00 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1p6t n LYS 121 Cb 0.47 -0.78 -0.07 0.00 -1.84 0.00 0.00 35.03 32.81 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 -0.29 -0.00 0.00 1.97 3.07 -1.89 -3.45 114.58 113.97 1p6t h GLU 122 Ca -0.11 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.24 1p6t h GLU 122 Cb 0.77 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.58 1p6t h GLU 122 CO -0.07 0.05 -0.38 0.00 -1.40 0.00 0.00 179.01 177.21 1p6t n ALA 123 N -2.12 0.37 -3.59 3.43 0.00 -1.09 -5.00 120.51 112.51 1p6t n ALA 123 Ca -0.07 -1.78 -0.09 0.00 0.00 0.00 0.00 53.44 51.50 1p6t n ALA 123 Cb 0.06 1.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.51 1p6t n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1p6t s SER 124 N -3.18 -0.39 0.27 0.00 0.15 -1.26 -4.23 113.70 105.05 1p6t s SER 124 Ca 0.04 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.57 1p6t s SER 124 Cb 0.00 0.56 0.79 0.00 -1.71 0.00 0.00 66.02 65.67 1p6t s SER 124 CO 0.03 -0.96 1.26 0.52 1.20 0.00 0.00 173.24 175.29 1p6t n VAL 125 N -0.38 -0.34 -0.34 4.45 0.31 -1.26 -0.25 118.33 120.52 1p6t n VAL 125 Ca -0.11 1.71 0.06 0.00 -0.01 0.00 0.00 64.34 66.00 1p6t n VAL 125 Cb 0.62 -2.60 0.22 0.00 -0.91 0.00 0.00 33.84 31.18 1p6t n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p6t h SER 126 N 0.00 0.82 -0.18 4.52 0.02 -1.98 0.16 113.55 116.91 1p6t h SER 126 Ca 0.56 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.56 1p6t h SER 126 Cb 1.31 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1p6t h SER 126 CO -0.70 0.42 0.09 -0.78 -1.14 0.00 0.00 176.83 174.73 1p6t h ASP 127 N 0.89 0.23 -0.26 3.07 1.82 -1.03 0.67 116.42 121.81 1p6t h ASP 127 Ca 0.47 -0.10 0.03 0.00 -0.39 0.00 0.00 57.03 57.04 1p6t h ASP 127 Cb 0.50 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 1p6t h ASP 127 CO -0.28 0.27 0.09 -0.07 -1.61 0.00 0.00 179.24 177.64 1p6t h LEU 128 N 0.18 0.10 -0.14 2.28 3.38 -1.24 0.13 115.31 119.99 1p6t h LEU 128 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1p6t h LEU 128 Cb 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1p6t h LEU 128 CO -0.01 0.09 0.03 0.11 0.09 0.00 0.00 178.44 178.75 1p6t h LYS 129 N 0.21 0.09 -0.37 1.13 1.57 -0.56 0.38 116.57 119.01 1p6t h LYS 129 Ca 0.12 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1p6t h LYS 129 Cb 0.08 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 1p6t h LYS 129 CO -0.12 0.06 -0.15 1.49 -0.57 0.00 0.00 179.45 180.16 1p6t h GLU 130 N 0.10 -0.08 0.17 3.15 4.22 -0.08 0.45 114.58 122.51 1p6t h GLU 130 Ca 0.06 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 1p6t h GLU 130 Cb 0.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1p6t h GLU 130 CO -0.08 -0.05 -0.08 0.00 -2.18 0.00 0.00 179.01 176.62 1p6t h ALA 131 N 1.23 -0.23 -0.04 2.92 0.00 -0.33 0.75 119.26 123.56 1p6t h ALA 131 Ca 0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1p6t h ALA 131 Cb 0.36 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1p6t h ALA 131 CO -0.43 -0.62 -0.52 -0.24 0.00 0.00 0.00 179.25 177.45 1p6t h VAL 132 N -0.25 1.36 -0.29 0.00 3.04 -0.62 0.43 116.25 119.93 1p6t h VAL 132 Ca -0.02 -1.78 -0.00 0.00 -1.01 0.00 0.00 66.70 63.88 1p6t h VAL 132 Cb 0.19 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1p6t h VAL 132 CO 0.04 0.52 0.17 0.44 -1.01 0.00 0.00 177.57 177.72 1p6t h ASP 133 N 0.09 0.36 -0.88 3.17 5.19 -0.64 0.23 116.42 123.95 1p6t h ASP 133 Ca 0.00 -0.07 0.08 0.00 -0.62 0.00 0.00 57.03 56.42 1p6t h ASP 133 Cb 0.95 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.30 1p6t h ASP 133 CO 0.07 0.32 0.54 0.50 -3.12 0.00 0.00 179.24 177.55 1p6t h LYS 134 N 0.36 0.91 -0.60 3.56 3.64 -0.04 -0.63 116.57 123.77 1p6t h LYS 134 Ca 0.10 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1p6t h LYS 134 Cb 0.04 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1p6t h LYS 134 CO -0.02 0.60 0.05 -0.07 -2.27 0.00 0.00 179.45 177.75 1p6t h LEU 135 N 0.94 0.98 0.00 5.20 -0.00 -0.56 -3.48 115.31 118.39 1p6t h LEU 135 Ca 0.40 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1p6t h LEU 135 Cb 0.26 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1p6t h LEU 135 CO -0.21 1.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.85 1p6t n GLY 136 N -0.56 0.97 3.00 0.83 0.00 0.73 -5.09 105.19 105.07 1p6t n GLY 136 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1p6t n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p6t n TYR 137 N 0.00 -0.38 -5.21 1.61 4.01 -0.63 -5.01 117.16 111.55 1p6t n TYR 137 Ca 0.00 -2.51 -0.31 0.00 -0.16 0.00 0.00 57.90 54.92 1p6t n TYR 137 Cb 0.00 0.16 -0.17 0.00 -0.31 0.00 0.00 39.34 39.02 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 -3.32 2.60 0.27 -0.72 0.00 -0.98 -3.68 119.74 113.91 1p6t s LYS 138 Ca 0.30 -0.87 -0.11 0.00 0.00 0.00 0.00 55.97 55.29 1p6t s LYS 138 Cb 0.01 -2.13 -0.08 0.00 0.00 0.00 0.00 37.83 35.63 1p6t s LYS 138 CO 0.21 0.31 0.62 -0.51 0.00 0.00 0.00 175.35 175.98 1p6t s LEU 139 N -0.00 4.11 0.31 2.77 1.43 -1.26 -1.19 118.68 124.84 1p6t s LEU 139 Ca -0.08 1.03 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 1p6t s LEU 139 Cb -0.15 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 1p6t s LEU 139 CO 0.05 -0.14 0.05 -0.54 0.23 0.00 0.00 176.35 176.00 1p6t s LYS 140 N -2.97 1.62 0.10 1.70 1.02 0.15 -4.95 119.74 116.42 1p6t s LYS 140 Ca 0.50 -1.89 0.03 0.00 0.02 0.00 0.00 55.97 54.63 1p6t s LYS 140 Cb -0.11 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 1p6t s LYS 140 CO 0.21 -0.18 0.13 -0.51 -0.92 0.00 0.00 175.35 174.08 1p6t s LEU 141 N -3.47 3.93 -0.53 3.17 1.02 -1.26 -0.35 118.68 121.19 1p6t s LEU 141 Ca 0.36 0.02 -0.15 0.00 0.02 0.00 0.00 54.13 54.38 1p6t s LEU 141 Cb 0.08 -2.57 0.13 0.00 0.02 0.00 0.00 46.19 43.85 1p6t s LEU 141 CO 0.15 0.14 0.48 -0.54 0.02 0.00 0.00 176.35 176.59 1p6t s LYS 142 N -2.63 2.90 0.00 1.70 3.01 -0.29 -4.58 119.74 119.84 1p6t s LYS 142 Ca 0.31 -1.73 0.00 0.00 -1.01 0.00 0.00 55.97 53.53 1p6t s LYS 142 Cb -0.12 -4.23 0.00 0.00 -1.01 0.00 0.00 37.83 32.47 1p6t s LYS 142 CO 0.24 -1.30 0.00 0.41 0.51 0.00 0.00 175.35 175.20 1p6t n GLY 143 N 5.16 1.69 0.14 -3.33 0.00 -1.26 -4.70 105.19 102.88 1p6t n GLY 143 Ca -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.14 -0.00 1.61 -0.58 -1.26 -0.43 120.64 119.83 1p6t n GLU 144 Ca 0.00 0.59 0.05 0.00 -0.42 0.00 0.00 57.16 57.38 1p6t n GLU 144 Cb 0.00 -0.87 -0.07 0.00 -0.57 0.00 0.00 31.44 29.93 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1p6t n GLN 145 N -4.04 3.06 0.25 3.49 6.02 -1.26 -0.65 117.38 124.25 1p6t n GLN 145 Ca 0.01 -0.01 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1p6t n GLN 145 Cb 0.08 -1.05 0.43 0.00 1.02 0.00 0.00 30.24 30.73 1p6t n GLN 145 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1p6t h ASP 146 N 0.00 0.00 -0.09 1.08 3.58 -1.14 -3.29 116.42 116.55 1p6t h ASP 146 Ca 0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1p6t h ASP 146 Cb 0.29 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.10 1p6t h ASP 146 CO 0.00 0.01 -0.59 -1.20 -2.88 0.00 0.00 179.24 174.59 1p6t n SER 147 N -3.11 -0.27 -3.57 2.28 7.64 0.42 -4.87 113.62 112.15 1p6t n SER 147 Ca 0.02 -2.08 -0.20 0.00 1.01 0.00 0.00 58.87 57.62 1p6t n SER 147 Cb 0.42 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.59 -5.97 -1.98 0.44 5.41 -1.18 -4.96 119.36 110.53 1p6t n ILE 148 Ca -0.11 -0.36 -0.32 0.00 1.00 0.00 0.00 62.75 62.95 1p6t n ILE 148 Cb 0.86 -4.45 0.01 0.00 -0.71 0.00 0.00 39.64 35.35 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 -4.78 3.40 0.00 0.38 0.41 0.17 -4.80 118.70 113.49 1p6t s GLU 149 Ca 0.15 1.03 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 1p6t s GLU 149 Cb -0.06 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 1p6t s GLU 149 CO 0.85 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 175.29 1p6t n GLY 150 N -1.60 -0.17 0.00 -1.39 0.00 -1.26 -4.85 105.19 95.92 1p6t n GLY 150 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19