#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t s LEU 2 N 0.00 -0.08 0.01 4.03 1.43 -1.26 -5.20 118.68 117.61 1p6t s LEU 2 Ca 0.00 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.86 1p6t s LEU 2 Cb 0.00 1.22 0.09 0.00 0.03 0.00 0.00 46.19 47.54 1p6t s LEU 2 CO 0.00 -0.12 1.25 -0.94 0.23 0.00 0.00 176.35 176.77 1p6t s SER 3 N -1.74 -0.00 -0.39 2.29 1.04 -1.26 -5.10 113.70 108.55 1p6t s SER 3 Ca 0.09 -0.27 0.11 0.00 0.48 0.00 0.00 55.95 56.37 1p6t s SER 3 Cb -0.01 0.20 0.35 0.00 0.10 0.00 0.00 66.02 66.66 1p6t s SER 3 CO -0.05 -0.40 0.76 1.21 0.98 0.00 0.00 173.24 175.75 1p6t n GLU 4 N -0.84 1.23 -1.24 4.02 2.13 -1.26 -5.12 120.64 119.56 1p6t n GLU 4 Ca 0.02 -3.54 -0.32 0.00 0.66 0.00 0.00 57.16 53.98 1p6t n GLU 4 Cb 0.59 -1.75 0.10 0.00 0.27 0.00 0.00 31.44 30.65 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 -2.57 2.00 0.10 5.31 -1.52 -1.26 -4.46 119.66 117.25 1p6t s GLN 5 Ca 0.40 1.44 0.09 0.00 -1.95 0.00 0.00 55.36 55.35 1p6t s GLN 5 Cb 0.35 -1.85 -0.03 0.00 -0.22 0.00 0.00 33.01 31.26 1p6t s GLN 5 CO -0.08 -1.88 -0.23 -1.59 -0.25 0.00 0.00 175.29 171.26 1p6t s LYS 6 N -4.46 1.28 0.22 2.91 0.00 0.31 -4.96 119.74 115.04 1p6t s LYS 6 Ca 0.67 -1.17 -0.01 0.00 0.00 0.00 0.00 55.97 55.46 1p6t s LYS 6 Cb -0.22 -1.57 -0.04 0.00 0.00 0.00 0.00 37.83 36.00 1p6t s LYS 6 CO 0.51 0.38 0.43 -1.21 0.00 0.00 0.00 175.35 175.46 1p6t s GLU 7 N -1.78 3.54 -0.13 1.78 8.01 -1.26 -1.05 118.70 127.80 1p6t s GLU 7 Ca 0.09 -0.29 -0.07 0.00 0.01 0.00 0.00 54.97 54.71 1p6t s GLU 7 Cb -0.10 -2.80 0.06 0.00 -4.31 0.00 0.00 34.13 26.98 1p6t s GLU 7 CO 0.04 0.36 0.31 -1.50 0.01 0.00 0.00 175.26 174.48 1p6t s ILE 8 N -1.93 -0.12 -0.22 -1.63 -1.16 0.23 -4.97 121.20 111.40 1p6t s ILE 8 Ca 0.39 0.15 -0.04 0.00 -0.51 0.00 0.00 60.65 60.64 1p6t s ILE 8 Cb -0.11 -0.48 -0.01 0.00 0.61 0.00 0.00 42.46 42.47 1p6t s ILE 8 CO 0.29 0.06 -0.03 0.00 -2.81 0.00 0.00 174.94 172.46 1p6t s ALA 9 N 1.54 2.88 0.27 1.50 0.00 -1.26 -0.76 121.76 125.92 1p6t s ALA 9 Ca -0.08 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1p6t s ALA 9 Cb -0.10 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1p6t s ALA 9 CO -0.10 -0.39 0.21 -1.64 0.00 0.00 0.00 175.76 173.84 1p6t s MET 10 N 1.41 1.49 0.13 0.00 -1.94 0.23 -3.70 119.30 116.92 1p6t s MET 10 Ca 0.05 -1.84 0.04 0.00 -1.71 0.00 0.00 55.69 52.24 1p6t s MET 10 Cb -0.14 0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 1p6t s MET 10 CO -0.02 -0.52 0.09 -0.65 -0.01 0.00 0.00 175.02 173.91 1p6t s GLN 11 N -3.79 2.82 0.03 2.03 -0.21 -1.26 -0.12 119.66 119.16 1p6t s GLN 11 Ca 0.40 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1p6t s GLN 11 Cb 0.05 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 1p6t s GLN 11 CO 0.20 0.52 -0.04 0.54 -2.12 0.00 0.00 175.29 174.39 1p6t s VAL 12 N -1.58 0.19 0.20 1.09 0.11 -1.20 -0.66 120.40 118.55 1p6t s VAL 12 Ca 0.30 -1.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 1p6t s VAL 12 Cb -0.11 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 1p6t s VAL 12 CO 0.22 -0.62 -0.06 -0.44 -3.33 0.00 0.00 175.10 170.86 1p6t s SER 13 N -1.88 1.97 0.00 3.54 0.01 0.59 -4.75 113.70 113.18 1p6t s SER 13 Ca -0.09 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1p6t s SER 13 Cb -0.05 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1p6t s SER 13 CO -0.03 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1p6t n GLY 14 N -0.34 1.82 3.56 3.44 0.00 -1.26 -2.05 105.19 110.35 1p6t n GLY 14 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.90 1.24 0.10 1.61 2.00 -1.26 -4.79 117.12 114.12 1p6t n MET 15 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 57.70 57.84 1p6t n MET 15 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 33.22 29.85 1p6t n MET 15 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1p6t h THR 16 N 7.58 0.79 -1.76 2.03 2.02 -1.97 -3.49 112.91 118.11 1p6t h THR 16 Ca -0.28 -2.20 0.28 0.00 0.77 0.00 0.00 66.41 64.98 1p6t h THR 16 Cb 1.26 2.32 -0.10 0.00 -1.74 0.00 0.00 68.15 69.89 1p6t h THR 16 CO 1.11 0.45 0.74 0.00 0.37 0.00 0.00 175.52 178.19 1p6t h ALA 18 N 2.00 2.66 -1.00 0.00 0.00 -1.97 0.93 119.26 121.87 1p6t h ALA 18 Ca -0.28 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1p6t h ALA 18 Cb 1.21 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1p6t h ALA 18 CO 0.28 -1.07 0.64 0.00 0.00 0.00 0.00 179.25 179.10 1p6t h ALA 19 N 1.53 1.42 0.28 0.00 0.00 -1.98 0.14 119.26 120.64 1p6t h ALA 19 Ca 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1p6t h ALA 19 Cb 1.96 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1p6t h ALA 19 CO -0.20 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 1p6t h ALA 21 N -0.17 -0.59 -0.91 0.00 0.00 -1.40 -0.03 119.26 116.17 1p6t h ALA 21 Ca -0.04 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 21 Cb 0.49 1.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 1p6t h ALA 21 CO 0.06 -0.90 0.59 0.00 0.00 0.00 0.00 179.25 179.00 1p6t h ALA 22 N 0.08 1.62 -0.49 0.00 0.00 -0.59 0.16 119.26 120.04 1p6t h ALA 22 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p6t h ALA 22 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1p6t h ALA 22 CO -0.69 0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.04 1p6t h ARG 23 N 0.90 0.67 0.44 0.00 2.47 0.32 0.92 114.38 120.11 1p6t h ARG 23 Ca 0.43 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 59.06 1p6t h ARG 23 Cb 0.42 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1p6t h ARG 23 CO -0.19 0.50 -0.21 0.82 0.56 0.00 0.00 179.97 181.45 1p6t h ILE 24 N 0.65 0.57 -0.36 2.04 2.04 0.80 0.14 117.51 123.39 1p6t h ILE 24 Ca 0.17 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1p6t h ILE 24 Cb 0.00 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 36.65 1p6t h ILE 24 CO -0.03 0.03 -0.25 -0.33 0.00 0.00 0.00 178.15 177.57 1p6t h GLU 25 N -0.68 -0.19 -0.33 2.37 5.08 -0.55 0.18 114.58 120.45 1p6t h GLU 25 Ca -0.06 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1p6t h GLU 25 Cb 0.50 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1p6t h GLU 25 CO 0.10 -0.13 0.10 -0.22 -1.00 0.00 0.00 179.01 177.86 1p6t h LYS 26 N -0.20 0.51 -0.43 2.33 3.64 -0.79 0.20 116.57 121.82 1p6t h LYS 26 Ca 0.18 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1p6t h LYS 26 Cb 0.48 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1p6t h LYS 26 CO -0.48 0.54 0.10 0.78 -2.27 0.00 0.00 179.45 178.12 1p6t h GLY 27 N 0.37 0.53 1.42 5.01 0.00 0.29 -2.21 103.07 108.48 1p6t h GLY 27 Ca 0.11 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 1p6t h GLY 27 CO -0.00 -0.03 -0.48 1.41 0.00 0.00 0.00 176.54 177.44 1p6t h LEU 28 N 0.24 0.67 -1.96 3.11 -0.00 -0.51 -2.55 115.31 114.32 1p6t h LEU 28 Ca 0.21 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1p6t h LEU 28 Cb 0.25 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1p6t h LEU 28 CO -0.26 1.04 0.28 0.50 -0.00 0.00 0.00 178.44 180.00 1p6t h LYS 29 N 0.49 0.00 0.00 1.13 1.63 0.00 -0.15 116.57 119.68 1p6t h LYS 29 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1p6t h LYS 29 Cb 1.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1p6t h LYS 29 CO 0.09 0.00 0.00 -0.09 -3.45 0.00 0.00 179.45 176.00 1p6t h ARG 30 N 0.00 0.00 -7.33 1.90 2.43 -1.08 -3.45 114.38 106.85 1p6t h ARG 30 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1p6t h ARG 30 Cb 0.55 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.19 1p6t h ARG 30 CO 0.00 0.00 0.38 -1.64 -1.51 0.00 0.00 179.97 177.20 1p6t s MET 31 N -3.65 3.12 -0.01 0.20 -1.94 -0.07 -5.01 119.30 111.92 1p6t s MET 31 Ca 0.01 0.93 -0.20 0.00 -1.71 0.00 0.00 55.69 54.72 1p6t s MET 31 Cb 0.09 -2.01 -0.28 0.00 2.01 0.00 0.00 34.83 34.63 1p6t s MET 31 CO 0.54 -0.96 1.00 -1.00 -0.01 0.00 0.00 175.02 174.60 1p6t h PRO 32 N -0.53 0.38 0.00 2.03 0.13 -1.88 -3.34 132.00 128.80 1p6t h PRO 32 Ca -0.44 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1p6t h PRO 32 Cb 1.21 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1p6t h PRO 32 CO 0.58 1.21 0.00 0.78 -0.23 0.00 0.00 178.00 180.34 1p6t h GLY 33 N -0.18 0.00 -5.28 1.56 0.00 -1.90 -3.44 103.07 93.83 1p6t h GLY 33 Ca -0.13 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.65 1p6t h GLY 33 CO 0.15 0.00 1.11 1.55 0.00 0.00 0.00 176.54 179.35 1p6t n VAL 34 N -2.97 0.49 -0.08 4.60 3.14 -1.25 -0.09 118.33 122.17 1p6t n VAL 34 Ca 0.01 -0.09 -0.07 0.00 -2.96 0.00 0.00 64.34 61.23 1p6t n VAL 34 Cb 0.30 -2.06 -0.03 0.00 -1.06 0.00 0.00 33.84 30.99 1p6t n VAL 34 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1p6t n THR 35 N 4.90 1.43 -3.68 1.55 -1.04 0.11 -4.91 114.28 112.64 1p6t n THR 35 Ca 0.20 0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 62.26 1p6t n THR 35 Cb 0.35 -2.35 -0.09 0.00 -1.82 0.00 0.00 70.33 66.43 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 -5.89 -0.59 -0.16 8.00 2.15 -0.17 -5.01 116.67 115.00 1p6t s ASP 36 Ca -0.17 1.12 0.01 0.00 0.43 0.00 0.00 52.55 53.94 1p6t s ASP 36 Cb 0.03 1.13 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 1p6t s ASP 36 CO 0.27 -0.19 -0.17 0.00 -0.17 0.00 0.00 175.17 174.91 1p6t s ALA 37 N 0.37 2.44 -0.01 3.66 0.00 -1.26 0.01 121.76 126.97 1p6t s ALA 37 Ca -0.01 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1p6t s ALA 37 Cb -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1p6t s ALA 37 CO -0.00 -0.11 -0.14 -0.80 0.00 0.00 0.00 175.76 174.71 1p6t s ASN 38 N 0.93 1.61 -0.17 0.00 0.01 -0.30 -4.82 114.94 112.20 1p6t s ASN 38 Ca -0.03 -0.27 -0.05 0.00 -0.71 0.00 0.00 52.86 51.80 1p6t s ASN 38 Cb -0.15 -0.17 0.07 0.00 0.41 0.00 0.00 41.25 41.41 1p6t s ASN 38 CO -0.03 0.15 0.13 0.54 -1.51 0.00 0.00 177.10 176.38 1p6t s VAL 39 N -0.37 -0.16 -1.12 1.60 0.11 -1.26 -0.10 120.40 119.10 1p6t s VAL 39 Ca 0.05 -0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 1p6t s VAL 39 Cb -0.05 -0.57 0.09 0.00 -1.53 0.00 0.00 36.38 34.31 1p6t s VAL 39 CO -0.00 -0.23 1.48 0.20 -3.33 0.00 0.00 175.10 173.22 1p6t s ASN 40 N 2.20 6.72 0.55 3.54 -0.87 0.69 -4.80 114.94 122.96 1p6t s ASN 40 Ca 0.03 -2.10 0.31 0.00 -1.57 0.00 0.00 52.86 49.54 1p6t s ASN 40 Cb -0.16 -2.52 1.47 0.00 -0.02 0.00 0.00 41.25 40.03 1p6t s ASN 40 CO -0.09 -1.21 1.87 0.17 -2.57 0.00 0.00 177.10 175.26 1p6t h LEU 41 N 11.81 0.00 -2.18 0.60 -0.00 -1.92 0.75 115.31 124.37 1p6t h LEU 41 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1p6t h LEU 41 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.61 1p6t h LEU 41 CO 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.79 1p6t h ALA 42 N 1.49 1.83 0.00 0.17 0.00 -1.94 -0.45 119.26 120.34 1p6t h ALA 42 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1p6t h ALA 42 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1p6t h ALA 42 CO -0.00 -0.01 -0.01 0.25 0.00 0.00 0.00 179.25 179.48 1p6t n THR 43 N -4.28 1.31 -3.62 0.00 -2.24 -0.20 -5.01 114.28 100.25 1p6t n THR 43 Ca -0.03 -1.47 -0.27 0.00 -2.27 0.00 0.00 64.05 60.01 1p6t n THR 43 Cb 0.09 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.85 -4.36 -4.34 -0.78 1.02 0.08 -4.97 120.64 106.43 1p6t n GLU 44 Ca 0.06 0.56 -0.33 0.00 -0.02 0.00 0.00 57.16 57.44 1p6t n GLU 44 Cb 0.42 -5.36 -0.16 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.13 2.07 -0.23 2.62 2.01 -0.51 -3.22 115.64 115.25 1p6t s THR 45 Ca 0.53 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 1p6t s THR 45 Cb -0.27 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1p6t s THR 45 CO 0.65 0.54 0.35 0.54 -0.69 0.00 0.00 174.62 176.01 1p6t s VAL 46 N 1.10 5.22 -0.30 3.82 0.11 0.84 -0.23 120.40 130.95 1p6t s VAL 46 Ca 0.00 0.58 0.03 0.00 -2.93 0.00 0.00 61.98 59.66 1p6t s VAL 46 Cb -0.14 -3.68 0.08 0.00 -1.53 0.00 0.00 36.38 31.11 1p6t s VAL 46 CO -0.08 0.24 -0.01 0.20 -3.33 0.00 0.00 175.10 172.11 1p6t s ASN 47 N 1.23 4.58 -0.10 3.54 0.01 0.85 -0.60 114.94 124.45 1p6t s ASN 47 Ca 0.16 -1.82 -0.02 0.00 -0.71 0.00 0.00 52.86 50.47 1p6t s ASN 47 Cb -0.15 -1.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 1p6t s ASN 47 CO 0.08 -0.31 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.64 1p6t s VAL 48 N 1.02 3.94 -0.16 1.60 1.01 0.06 -1.16 120.40 126.72 1p6t s VAL 48 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1p6t s VAL 48 Cb -0.19 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1p6t s VAL 48 CO -0.07 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 1p6t s ILE 49 N -0.40 1.94 0.32 2.22 1.01 0.10 -0.60 121.20 125.79 1p6t s ILE 49 Ca 0.07 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1p6t s ILE 49 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1p6t s ILE 49 CO 0.02 0.52 0.64 -0.72 0.00 0.00 0.00 174.94 175.41 1p6t s TYR 50 N 1.18 0.29 -0.22 3.97 -0.85 -0.22 -0.71 117.35 120.80 1p6t s TYR 50 Ca 0.01 -0.76 -0.22 0.00 -0.52 0.00 0.00 57.07 55.58 1p6t s TYR 50 Cb -0.14 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 1p6t s TYR 50 CO -0.09 -1.29 0.71 0.34 -1.52 0.00 0.00 175.55 173.70 1p6t s ASP 51 N -3.06 6.73 0.00 -0.18 -1.08 0.88 -0.53 116.67 119.43 1p6t s ASP 51 Ca 0.19 0.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 1p6t s ASP 51 Cb -0.03 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1p6t s ASP 51 CO 0.12 -0.38 1.18 -0.81 0.52 0.00 0.00 175.17 175.80 1p6t n PRO 52 N 5.49 0.84 -0.66 4.34 -0.04 -1.26 -3.19 135.00 140.52 1p6t n PRO 52 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1p6t n PRO 52 Cb 0.49 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.98 2.39 0.00 0.55 0.00 -1.26 -4.92 120.51 118.25 1p6t n ALA 53 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1p6t n ALA 53 Cb 0.42 -0.18 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 0.03 0.00 0.00 0.00 1.02 -1.19 -5.06 120.64 115.44 1p6t n GLU 54 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1p6t n GLU 54 Cb 0.60 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 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 -2.35 0.00 0.00 2.62 -1.04 -1.24 -4.86 114.28 107.41 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 0.09 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 3.00 2.81 0.33 3.41 0.00 -1.26 -4.70 105.19 108.78 1p6t n GLY 56 Ca 0.00 -1.21 0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 1.15 -0.41 -0.21 2.61 5.66 -1.26 0.10 114.28 121.92 1p6t n THR 57 Ca 0.00 2.07 -0.00 0.00 -3.05 0.00 0.00 64.05 63.07 1p6t n THR 57 Cb 0.00 -3.19 0.23 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 1.96 1.42 -0.04 1.79 0.00 -1.91 -0.56 119.26 121.90 1p6t h ALA 58 Ca 0.71 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.43 1p6t h ALA 58 Cb 1.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1p6t h ALA 58 CO -0.84 0.51 -0.51 0.00 0.00 0.00 0.00 179.25 178.41 1p6t h ALA 59 N 1.49 1.08 0.33 0.00 0.00 -0.62 0.28 119.26 121.82 1p6t h ALA 59 Ca 0.26 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1p6t h ALA 59 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1p6t h ALA 59 CO -0.05 0.65 -0.16 0.82 0.00 0.00 0.00 179.25 180.51 1p6t h ILE 60 N 0.08 0.69 -0.67 0.00 1.08 -0.80 0.15 117.51 118.04 1p6t h ILE 60 Ca 0.00 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1p6t h ILE 60 Cb 0.93 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1p6t h ILE 60 CO 0.07 0.04 0.43 0.06 -0.69 0.00 0.00 178.15 178.06 1p6t h GLN 61 N -0.54 0.84 -0.60 2.37 3.07 -1.18 -1.18 115.11 117.90 1p6t h GLN 61 Ca -0.05 -0.05 0.08 0.00 0.09 0.00 0.00 58.65 58.72 1p6t h GLN 61 Cb 0.40 -0.19 -0.06 0.00 0.08 0.00 0.00 27.48 27.71 1p6t h GLN 61 CO 0.08 0.56 0.26 1.49 0.09 0.00 0.00 178.83 181.30 1p6t h GLU 62 N 0.87 0.45 -0.19 0.06 4.81 -0.63 -0.12 114.58 119.83 1p6t h GLU 62 Ca 0.26 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1p6t h GLU 62 Cb -0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1p6t h GLU 62 CO -0.08 0.30 0.07 0.87 -0.73 0.00 0.00 179.01 179.44 1p6t h LYS 63 N 0.47 0.29 -0.66 1.92 1.79 0.04 0.11 116.57 120.52 1p6t h LYS 63 Ca 0.29 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.84 1p6t h LYS 63 Cb 0.31 -0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.82 1p6t h LYS 63 CO -0.26 0.37 0.16 0.82 -1.08 0.00 0.00 179.45 179.46 1p6t h ILE 64 N 0.14 0.60 0.37 1.86 2.04 -0.57 0.16 117.51 122.10 1p6t h ILE 64 Ca 0.06 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1p6t h ILE 64 Cb 0.20 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1p6t h ILE 64 CO -0.00 0.05 -0.18 -0.33 0.00 0.00 0.00 178.15 177.69 1p6t h GLU 65 N 0.28 -0.47 -0.56 2.37 5.08 -0.41 -2.77 114.58 118.10 1p6t h GLU 65 Ca 0.36 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.84 1p6t h GLU 65 Cb 0.56 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1p6t h GLU 65 CO -0.44 -0.28 0.38 0.87 -1.00 0.00 0.00 179.01 178.54 1p6t h LYS 66 N -0.54 0.35 0.00 2.33 6.56 -0.08 0.20 116.57 125.39 1p6t h LYS 66 Ca -0.05 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1p6t h LYS 66 Cb 0.41 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1p6t h LYS 66 CO 0.08 0.23 0.00 -0.07 -2.06 0.00 0.00 179.45 177.64 1p6t h LEU 67 N 0.37 0.00 -0.06 2.94 -0.00 -0.46 -3.46 115.31 114.64 1p6t h LEU 67 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1p6t h LEU 67 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1p6t h LEU 67 CO -0.07 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.98 1p6t n GLY 68 N -0.89 0.91 3.46 0.83 0.00 0.71 -5.05 105.19 105.17 1p6t n GLY 68 Ca -0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.89 1.78 -0.01 1.61 2.02 -1.07 -4.93 117.35 114.86 1p6t s TYR 69 Ca 0.00 -1.25 0.03 0.00 -0.37 0.00 0.00 57.07 55.48 1p6t s TYR 69 Cb 0.00 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1p6t s TYR 69 CO 0.00 -0.30 -0.10 -1.01 -1.57 0.00 0.00 175.55 172.57 1p6t s HIS 70 N -3.31 0.88 0.16 2.71 3.76 -0.87 -4.15 115.29 114.48 1p6t s HIS 70 Ca 0.29 -0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 54.78 1p6t s HIS 70 Cb 0.04 -0.58 -0.08 0.00 1.11 0.00 0.00 32.58 33.07 1p6t s HIS 70 CO 0.15 -0.03 0.75 0.14 -0.85 0.00 0.00 174.74 174.91 1p6t s VAL 71 N -0.18 4.42 -1.29 -0.90 -7.23 -1.26 -0.30 120.40 113.67 1p6t s VAL 71 Ca 0.03 1.62 -0.17 0.00 -1.81 0.00 0.00 61.98 61.65 1p6t s VAL 71 Cb -0.04 -4.09 0.09 0.00 0.56 0.00 0.00 36.38 32.90 1p6t s VAL 71 CO -0.00 0.50 1.69 0.52 -0.31 0.00 0.00 175.10 177.50 1p6t n VAL 72 N 1.53 4.00 -3.86 1.32 0.31 0.16 -4.88 118.33 116.91 1p6t n VAL 72 Ca -0.06 -4.22 -0.11 0.00 -0.01 0.00 0.00 64.34 59.94 1p6t n VAL 72 Cb 0.49 -2.38 -0.11 0.00 -0.91 0.00 0.00 33.84 30.94 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 3.67 0.06 -0.04 2.52 2.01 -1.26 -4.39 115.64 118.21 1p6t s THR 73 Ca 0.52 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1p6t s THR 73 Cb 0.03 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1p6t s THR 73 CO 0.06 -0.29 -0.12 -1.61 -0.69 0.00 0.00 174.62 171.97 1p6t s GLU 74 N -1.03 1.45 -1.11 4.92 2.02 -1.23 -4.99 118.70 118.73 1p6t s GLU 74 Ca -0.11 -0.43 -0.19 0.00 0.02 0.00 0.00 54.97 54.26 1p6t s GLU 74 Cb -0.06 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 33.00 1p6t s GLU 74 CO 0.01 0.12 1.46 -1.59 0.02 0.00 0.00 175.26 175.28 1p6t s LYS 75 N 0.31 3.78 0.54 1.61 -2.85 -1.26 -3.47 119.74 118.40 1p6t s LYS 75 Ca -0.07 -1.74 -0.05 0.00 -1.00 0.00 0.00 55.97 53.11 1p6t s LYS 75 Cb -0.12 -5.26 -0.00 0.00 -2.06 0.00 0.00 37.83 30.38 1p6t s LYS 75 CO 0.02 -2.06 0.83 0.00 0.10 0.00 0.00 175.35 174.25 1p6t s ALA 76 N 3.72 3.41 -0.07 0.59 0.00 0.26 -4.88 121.76 124.78 1p6t s ALA 76 Ca 0.45 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1p6t s ALA 76 Cb -0.00 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1p6t s ALA 76 CO -0.03 -0.63 -0.08 -1.21 0.00 0.00 0.00 175.76 173.81 1p6t s GLU 77 N -4.86 1.36 0.18 0.00 2.02 -1.26 -0.37 118.70 115.77 1p6t s GLU 77 Ca 0.51 -0.26 0.11 0.00 0.02 0.00 0.00 54.97 55.35 1p6t s GLU 77 Cb -0.10 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.83 1p6t s GLU 77 CO 0.44 -0.08 -0.22 -0.06 0.02 0.00 0.00 175.26 175.36 1p6t s PHE 78 N 1.02 2.37 0.11 1.61 0.40 0.32 -2.58 117.98 121.22 1p6t s PHE 78 Ca -0.09 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1p6t s PHE 78 Cb -0.15 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1p6t s PHE 78 CO -0.00 0.48 0.17 0.34 0.70 0.00 0.00 175.22 176.91 1p6t s ASP 79 N -2.60 5.92 -0.17 1.36 -1.08 0.74 -0.37 116.67 120.48 1p6t s ASP 79 Ca 0.21 0.08 0.01 0.00 -0.52 0.00 0.00 52.55 52.32 1p6t s ASP 79 Cb -0.08 -1.69 0.03 0.00 -1.46 0.00 0.00 42.92 39.71 1p6t s ASP 79 CO 0.10 0.12 -0.15 -0.63 0.52 0.00 0.00 175.17 175.13 1p6t s ILE 80 N -1.58 1.72 -0.70 4.11 1.01 0.62 -0.05 121.20 126.32 1p6t s ILE 80 Ca 0.32 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1p6t s ILE 80 Cb -0.12 -1.62 0.18 0.00 0.01 0.00 0.00 42.46 40.91 1p6t s ILE 80 CO 0.25 0.43 0.54 -1.83 0.00 0.00 0.00 174.94 174.33 1p6t s GLU 81 N 1.42 2.82 0.00 2.79 -1.05 -0.79 -4.65 118.70 119.23 1p6t s GLU 81 Ca 0.04 -2.70 0.00 0.00 -0.15 0.00 0.00 54.97 52.15 1p6t s GLU 81 Cb -0.13 -3.84 0.00 0.00 -0.44 0.00 0.00 34.13 29.71 1p6t s GLU 81 CO -0.11 -1.21 0.00 0.41 0.95 0.00 0.00 175.26 175.31 1p6t n GLY 82 N 3.25 -1.40 3.69 -3.83 0.00 -1.26 -3.82 105.19 101.82 1p6t n GLY 82 Ca 0.12 0.52 -0.53 0.00 0.00 0.00 0.00 46.02 46.13 1p6t n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1p6t n MET 83 N 0.00 1.59 -0.65 1.61 0.00 -1.26 -4.77 117.12 113.64 1p6t n MET 83 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 57.70 58.26 1p6t n MET 83 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 33.22 30.86 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 4.62 0.00 -3.51 3.17 5.66 -1.26 -4.98 114.28 117.97 1p6t n THR 84 Ca 0.24 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.16 1p6t n THR 84 Cb 0.20 0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.15 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 -0.23 0.00 -2.61 0.00 0.00 -1.26 -3.02 120.51 113.39 1p6t n ALA 86 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1p6t n ALA 86 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 4.82 -1.80 -0.07 0.00 0.00 -1.26 -5.03 120.51 117.17 1p6t n ALA 87 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 1p6t n ALA 87 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 0.96 0.91 -0.42 0.00 0.00 -1.94 0.60 119.26 119.37 1p6t h ALA 89 Ca 0.08 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 89 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1p6t h ALA 89 CO -0.01 -0.13 0.11 -0.97 0.00 0.00 0.00 179.25 178.25 1p6t h ASN 90 N 0.50 0.58 0.12 0.00 -0.73 -1.41 0.29 115.58 114.91 1p6t h ASN 90 Ca 0.34 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.42 1p6t h ASN 90 Cb 0.41 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.85 1p6t h ASN 90 CO -0.30 0.58 -0.06 0.03 -0.37 0.00 0.00 177.43 177.31 1p6t h ARG 91 N 0.62 -0.15 0.00 6.67 -0.00 0.45 -3.11 114.38 118.86 1p6t h ARG 91 Ca 0.14 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.61 1p6t h ARG 91 Cb 0.23 0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.23 1p6t h ARG 91 CO -0.00 0.22 -0.12 -0.84 0.00 0.00 0.00 179.97 179.22 1p6t h ILE 92 N -0.55 0.82 0.39 2.04 3.07 -0.41 -2.77 117.51 120.10 1p6t h ILE 92 Ca -0.02 -0.45 -0.01 0.00 1.55 0.00 0.00 64.86 65.93 1p6t h ILE 92 Cb 0.44 1.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 1p6t h ILE 92 CO 0.03 0.12 -0.32 -0.08 -1.05 0.00 0.00 178.15 176.84 1p6t h GLU 93 N 0.00 -0.66 -0.65 0.16 4.81 -0.45 0.16 114.58 117.95 1p6t h GLU 93 Ca -0.00 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1p6t h GLU 93 Cb 0.25 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1p6t h GLU 93 CO 0.02 -0.44 0.44 0.87 -0.73 0.00 0.00 179.01 179.17 1p6t h LYS 94 N -0.69 0.32 0.00 1.92 6.56 -1.44 0.10 116.57 123.34 1p6t h LYS 94 Ca -0.05 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1p6t h LYS 94 Cb 0.58 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1p6t h LYS 94 CO 0.00 0.21 0.00 0.54 -2.06 0.00 0.00 179.45 178.14 1p6t n ARG 95 N -4.46 0.00 -0.26 3.15 5.12 -1.01 -3.93 116.66 115.27 1p6t n ARG 95 Ca 0.12 0.50 0.22 0.00 -1.93 0.00 0.00 57.85 56.76 1p6t n ARG 95 Cb 0.49 -1.27 0.55 0.00 -1.16 0.00 0.00 32.46 31.06 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 0.35 -0.53 0.55 3.38 -0.39 -1.56 115.31 117.11 1p6t h LEU 96 Ca 0.00 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.18 1p6t h LEU 96 Cb 0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1p6t h LEU 96 CO 0.00 0.12 0.09 -3.20 0.09 0.00 0.00 178.44 175.53 1p6t n ASN 97 N -4.49 0.01 -2.73 -0.43 2.85 0.32 -3.07 115.26 107.71 1p6t n ASN 97 Ca 0.21 0.89 -0.08 0.00 -0.11 0.00 0.00 54.58 55.49 1p6t n ASN 97 Cb 0.81 -0.35 0.09 0.00 1.24 0.00 0.00 39.78 41.57 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 -4.51 1.12 0.10 1.20 -0.00 -0.61 -4.24 118.16 111.22 1p6t n LYS 98 Ca 0.14 -2.07 -0.12 0.00 -0.00 0.00 0.00 58.31 56.26 1p6t n LYS 98 Cb 0.48 -0.57 -0.06 0.00 -0.00 0.00 0.00 35.03 34.89 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 2.36 0.61 0.00 0.58 1.08 -1.42 -3.47 117.51 117.25 1p6t h ILE 99 Ca -0.18 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1p6t h ILE 99 Cb 1.21 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1p6t h ILE 99 CO 0.08 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.75 1p6t n GLU 100 N -5.30 0.00 -1.22 2.37 0.00 -1.26 -4.97 120.64 110.25 1p6t n GLU 100 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.88 1p6t n GLU 100 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.54 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p6t n GLY 101 N 0.00 3.65 3.57 8.31 0.00 -1.24 -4.51 105.19 114.97 1p6t n GLY 101 Ca 0.00 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 0.39 4.64 -0.15 1.61 1.01 -1.26 -0.52 120.40 126.13 1p6t s VAL 102 Ca 0.65 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1p6t s VAL 102 Cb 0.30 -3.12 -0.24 0.00 0.00 0.00 0.00 36.38 33.32 1p6t s VAL 102 CO -0.06 0.41 0.67 0.00 0.00 0.00 0.00 175.10 176.12 1p6t h ALA 103 N 7.26 0.03 -2.75 5.51 0.00 -0.81 -3.42 119.26 125.09 1p6t h ALA 103 Ca -0.37 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 53.92 1p6t h ALA 103 Cb 1.17 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 1p6t h ALA 103 CO 0.65 0.07 -0.20 -0.80 0.00 0.00 0.00 179.25 178.98 1p6t s ASN 104 N -6.25 -0.06 -0.45 0.00 0.01 -0.51 -4.57 114.94 103.12 1p6t s ASN 104 Ca -0.19 -0.84 0.05 0.00 -0.71 0.00 0.00 52.86 51.16 1p6t s ASN 104 Cb -0.02 0.51 0.27 0.00 0.41 0.00 0.00 41.25 42.43 1p6t s ASN 104 CO 0.64 -1.01 1.04 0.00 -1.51 0.00 0.00 177.10 176.26 1p6t n ALA 105 N -0.30 -1.67 -1.77 0.60 0.00 -1.26 -0.53 120.51 115.58 1p6t n ALA 105 Ca -0.05 -1.20 -0.39 0.00 0.00 0.00 0.00 53.44 51.80 1p6t n ALA 105 Cb 0.63 -1.68 -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 0.46 4.31 0.16 0.00 0.04 -1.20 -4.55 135.00 134.21 1p6t s PRO 106 Ca 0.28 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.16 1p6t s PRO 106 Cb 0.25 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1p6t s PRO 106 CO -0.17 -0.08 0.16 0.14 0.04 0.00 0.00 177.00 177.09 1p6t s VAL 107 N -1.35 4.67 0.23 -0.36 -7.23 -1.26 -1.02 120.40 114.07 1p6t s VAL 107 Ca 0.52 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 59.80 1p6t s VAL 107 Cb -0.30 -3.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1p6t s VAL 107 CO 0.39 -0.09 -0.03 0.20 -0.31 0.00 0.00 175.10 175.26 1p6t s ASN 108 N -3.09 4.50 0.00 4.85 -0.87 0.53 -4.98 114.94 115.89 1p6t s ASN 108 Ca 0.32 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 1p6t s ASN 108 Cb -0.10 -0.84 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 1p6t s ASN 108 CO 0.24 0.05 0.66 0.33 -2.57 0.00 0.00 177.10 175.81 1p6t n PHE 109 N -0.49 0.00 -0.08 2.20 7.35 -1.26 -4.07 117.46 121.10 1p6t n PHE 109 Ca -0.08 -0.17 -0.17 0.00 -0.76 0.00 0.00 57.45 56.27 1p6t n PHE 109 Cb 0.57 -0.02 -0.06 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.17 1.91 0.27 3.13 0.00 -1.26 -4.62 120.51 119.77 1p6t n ALA 110 Ca 0.00 -0.66 0.12 0.00 0.00 0.00 0.00 53.44 52.90 1p6t n ALA 110 Cb 0.09 0.27 0.15 0.00 0.00 0.00 0.00 19.45 19.96 1p6t n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1p6t h LEU 111 N -0.54 0.00 -0.46 0.00 3.38 -2.01 -3.48 115.31 112.20 1p6t h LEU 111 Ca -0.42 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.33 1p6t h LEU 111 Cb 1.38 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.19 1p6t h LEU 111 CO -0.24 0.01 -0.34 -0.62 0.09 0.00 0.00 178.44 177.34 1p6t n GLU 112 N -2.80 -3.55 -4.43 1.13 1.02 -1.26 -4.92 120.64 105.83 1p6t n GLU 112 Ca 0.03 0.45 -0.24 0.00 -0.02 0.00 0.00 57.16 57.38 1p6t n GLU 112 Cb 0.52 -4.33 -0.11 0.00 -0.02 0.00 0.00 31.44 27.50 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 -3.05 2.30 -0.08 2.62 -4.23 -1.26 -0.28 115.64 111.66 1p6t s THR 113 Ca 0.25 -2.24 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1p6t s THR 113 Cb -0.11 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1p6t s THR 113 CO 0.31 -0.34 -0.18 0.54 -0.54 0.00 0.00 174.62 174.42 1p6t s VAL 114 N -2.29 1.57 0.26 2.29 0.11 0.50 -0.35 120.40 122.49 1p6t s VAL 114 Ca 0.25 -0.73 -0.23 0.00 -2.93 0.00 0.00 61.98 58.34 1p6t s VAL 114 Cb -0.05 -1.39 -0.09 0.00 -1.53 0.00 0.00 36.38 33.32 1p6t s VAL 114 CO 0.12 0.45 0.83 -0.89 -3.33 0.00 0.00 175.10 172.28 1p6t s THR 115 N 0.55 4.39 -0.18 5.04 2.01 -0.19 -0.52 115.64 126.74 1p6t s THR 115 Ca -0.16 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 63.39 1p6t s THR 115 Cb -0.17 -3.96 0.05 0.00 0.01 0.00 0.00 72.50 68.44 1p6t s THR 115 CO 0.06 0.21 -0.01 0.54 -0.69 0.00 0.00 174.62 174.73 1p6t s VAL 116 N -1.52 0.83 -0.68 3.82 0.11 0.50 -3.27 120.40 120.19 1p6t s VAL 116 Ca 0.45 -0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 58.77 1p6t s VAL 116 Cb -0.18 -1.17 0.18 0.00 -1.53 0.00 0.00 36.38 33.67 1p6t s VAL 116 CO 0.23 -0.05 0.59 -1.61 -3.33 0.00 0.00 175.10 170.93 1p6t s GLU 117 N 1.73 3.11 0.04 1.54 2.02 0.31 -0.57 118.70 126.88 1p6t s GLU 117 Ca -0.01 -2.23 -0.04 0.00 0.02 0.00 0.00 54.97 52.71 1p6t s GLU 117 Cb -0.16 -4.19 -0.02 0.00 0.10 0.00 0.00 34.13 29.86 1p6t s GLU 117 CO -0.07 -1.26 0.06 1.52 0.02 0.00 0.00 175.26 175.53 1p6t s TYR 118 N 0.56 0.29 -0.32 1.61 1.13 -1.23 -0.19 117.35 119.20 1p6t s TYR 118 Ca 0.13 -0.67 -0.29 0.00 -1.41 0.00 0.00 57.07 54.83 1p6t s TYR 118 Cb -0.18 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1p6t s TYR 118 CO -0.04 -0.37 1.49 1.21 -2.51 0.00 0.00 175.55 175.33 1p6t s ASN 119 N -2.35 6.37 0.00 -0.18 2.47 0.32 -3.58 114.94 117.99 1p6t s ASN 119 Ca -0.02 1.19 0.00 0.00 0.42 0.00 0.00 52.86 54.46 1p6t s ASN 119 Cb 0.01 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1p6t s ASN 119 CO -0.06 -1.34 0.80 -0.81 -3.72 0.00 0.00 177.10 171.97 1p6t n PRO 120 N 7.83 0.82 -0.11 0.43 -0.04 -1.26 -2.63 135.00 140.04 1p6t n PRO 120 Ca 0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.46 1p6t n PRO 120 Cb 0.47 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.48 0.55 -0.08 0.54 4.76 -1.26 -4.62 118.16 117.57 1p6t n LYS 121 Ca 0.00 0.30 -0.07 0.00 -2.87 0.00 0.00 58.31 55.67 1p6t n LYS 121 Cb 0.01 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 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 -1.00 0.13 -5.12 1.97 3.07 -1.92 -3.45 114.58 108.26 1p6t h GLU 122 Ca -0.31 -0.01 -0.60 0.00 -0.50 0.00 0.00 59.36 57.94 1p6t h GLU 122 Cb 1.22 -0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.97 1p6t h GLU 122 CO -0.19 0.08 -0.52 0.00 -1.40 0.00 0.00 179.01 176.98 1p6t s ALA 123 N -6.18 3.36 0.24 3.43 0.00 -1.08 -5.01 121.76 116.52 1p6t s ALA 123 Ca -0.13 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1p6t s ALA 123 Cb 0.12 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1p6t s ALA 123 CO 0.70 -0.21 0.45 -1.54 0.00 0.00 0.00 175.76 175.16 1p6t s SER 124 N -3.71 -0.08 0.25 0.00 1.04 -1.26 -4.22 113.70 105.73 1p6t s SER 124 Ca 0.18 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1p6t s SER 124 Cb 0.03 0.57 0.66 0.00 0.10 0.00 0.00 66.02 67.38 1p6t s SER 124 CO 0.10 -1.11 1.24 0.52 0.98 0.00 0.00 173.24 174.97 1p6t n VAL 125 N -0.37 -0.33 -0.27 5.02 0.31 -1.26 -0.44 118.33 120.98 1p6t n VAL 125 Ca -0.02 1.72 -0.02 0.00 -0.01 0.00 0.00 64.34 66.01 1p6t n VAL 125 Cb 0.62 -2.54 0.10 0.00 -0.91 0.00 0.00 33.84 31.11 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 0.77 -0.19 4.52 0.02 -1.98 0.30 113.55 116.99 1p6t h SER 126 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1p6t h SER 126 Cb 1.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1p6t h SER 126 CO -0.72 0.52 0.12 -0.78 -1.14 0.00 0.00 176.83 174.83 1p6t h ASP 127 N 0.91 0.22 -0.74 3.07 3.58 -1.16 -0.64 116.42 121.68 1p6t h ASP 127 Ca 0.32 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.76 1p6t h ASP 127 Cb 0.06 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1p6t h ASP 127 CO -0.13 0.18 0.48 -0.07 -2.88 0.00 0.00 179.24 176.82 1p6t h LEU 128 N 0.25 0.83 -0.70 2.28 3.38 -1.02 0.13 115.31 120.46 1p6t h LEU 128 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1p6t h LEU 128 Cb -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1p6t h LEU 128 CO -0.01 0.60 0.35 0.11 0.09 0.00 0.00 178.44 179.57 1p6t h LYS 129 N 0.98 1.00 -0.43 1.13 1.57 -0.13 0.12 116.57 120.81 1p6t h LYS 129 Ca 0.28 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1p6t h LYS 129 Cb -0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1p6t h LYS 129 CO -0.07 0.78 0.19 1.49 -0.57 0.00 0.00 179.45 181.27 1p6t h GLU 130 N 0.97 0.64 0.37 3.15 4.22 -0.16 0.22 114.58 124.00 1p6t h GLU 130 Ca 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 1p6t h GLU 130 Cb 0.10 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1p6t h GLU 130 CO -0.03 0.57 -0.23 0.00 -2.18 0.00 0.00 179.01 177.14 1p6t h ALA 131 N 1.04 -0.56 -0.06 2.92 0.00 -0.39 -1.13 119.26 121.07 1p6t h ALA 131 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1p6t h ALA 131 Cb 0.15 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p6t h ALA 131 CO -0.02 -0.83 -0.26 -0.24 0.00 0.00 0.00 179.25 177.91 1p6t h VAL 132 N -0.57 1.21 0.07 0.00 3.04 -0.74 -1.78 116.25 117.48 1p6t h VAL 132 Ca -0.04 -1.00 0.01 0.00 -1.01 0.00 0.00 66.70 64.66 1p6t h VAL 132 Cb 0.47 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 1p6t h VAL 132 CO 0.04 0.30 -0.11 -0.78 -1.01 0.00 0.00 177.57 176.01 1p6t h ASP 133 N 0.10 -0.29 -0.82 3.17 1.82 -0.53 0.27 116.42 120.13 1p6t h ASP 133 Ca 0.02 0.03 0.16 0.00 -0.39 0.00 0.00 57.03 56.85 1p6t h ASP 133 Cb 0.51 0.11 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 1p6t h ASP 133 CO 0.04 -0.16 0.54 0.11 -1.61 0.00 0.00 179.24 178.16 1p6t h LYS 134 N -0.22 0.47 0.00 0.28 1.57 -0.63 0.23 116.57 118.27 1p6t h LYS 134 Ca 0.02 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1p6t h LYS 134 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1p6t h LYS 134 CO -0.06 0.31 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.68 1p6t h LEU 135 N 0.48 0.00 -0.28 2.94 -0.00 -0.45 -3.48 115.31 114.52 1p6t h LEU 135 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1p6t h LEU 135 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1p6t h LEU 135 CO -0.15 0.38 0.00 0.61 -0.00 0.00 0.00 178.44 179.28 1p6t n GLY 136 N 0.62 0.98 1.02 0.83 0.00 0.84 -5.09 105.19 104.38 1p6t n GLY 136 Ca 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.66 -0.22 -3.93 1.61 4.01 -0.93 -5.03 117.16 112.01 1p6t n TYR 137 Ca 0.00 -0.88 -0.10 0.00 -0.16 0.00 0.00 57.90 56.76 1p6t n TYR 137 Cb 0.13 0.08 -0.11 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.43 0.30 0.06 -0.72 0.00 -1.25 -3.98 119.74 111.71 1p6t s LYS 138 Ca 0.12 -0.41 0.03 0.00 0.00 0.00 0.00 55.97 55.71 1p6t s LYS 138 Cb 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 37.91 1p6t s LYS 138 CO 0.08 -0.06 0.03 -0.51 0.00 0.00 0.00 175.35 174.90 1p6t s LEU 139 N -1.11 3.60 0.27 2.77 1.43 -1.26 -1.89 118.68 122.48 1p6t s LEU 139 Ca -0.12 -0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1p6t s LEU 139 Cb -0.07 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1p6t s LEU 139 CO -0.00 0.20 -0.16 -0.54 0.23 0.00 0.00 176.35 176.08 1p6t s LYS 140 N -2.14 1.58 -0.29 1.70 -0.14 0.92 -4.94 119.74 116.43 1p6t s LYS 140 Ca 0.25 -1.74 -0.11 0.00 -1.36 0.00 0.00 55.97 53.02 1p6t s LYS 140 Cb -0.12 -1.52 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 1p6t s LYS 140 CO 0.17 0.24 0.18 -0.51 -0.76 0.00 0.00 175.35 174.67 1p6t s LEU 141 N -3.46 4.07 -0.91 3.17 1.02 -1.26 -0.18 118.68 121.13 1p6t s LEU 141 Ca 0.28 -0.20 -0.24 0.00 0.02 0.00 0.00 54.13 53.99 1p6t s LEU 141 Cb -0.02 -2.08 0.04 0.00 0.02 0.00 0.00 46.19 44.15 1p6t s LEU 141 CO 0.13 -0.11 1.38 -0.54 0.02 0.00 0.00 176.35 177.22 1p6t s LYS 142 N 1.71 3.44 0.00 1.70 1.02 -1.07 -4.11 119.74 122.43 1p6t s LYS 142 Ca 0.06 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1p6t s LYS 142 Cb -0.16 -4.90 0.00 0.00 -0.52 0.00 0.00 37.83 32.25 1p6t s LYS 142 CO 0.09 -2.18 0.00 0.41 -0.92 0.00 0.00 175.35 172.76 1p6t n GLY 143 N 6.29 1.67 0.53 -3.33 0.00 -1.26 -4.75 105.19 104.33 1p6t n GLY 143 Ca 0.21 -0.16 0.42 0.00 0.00 0.00 0.00 46.02 46.49 1p6t n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p6t n GLU 144 N 0.00 -0.02 0.00 1.61 4.07 -1.26 -0.18 120.64 124.87 1p6t n GLU 144 Ca 0.00 1.04 0.00 0.00 -0.06 0.00 0.00 57.16 58.14 1p6t n GLU 144 Cb 0.00 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1p6t n GLN 145 N -4.09 0.49 0.00 5.31 6.02 -1.26 -4.64 117.38 119.21 1p6t n GLN 145 Ca 0.38 -0.61 0.04 0.00 -0.01 0.00 0.00 57.00 56.80 1p6t n GLN 145 Cb 1.60 -0.60 -0.04 0.00 1.02 0.00 0.00 30.24 32.22 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p6t n ASP 146 N -0.09 0.59 -2.68 1.08 8.00 0.22 -4.76 116.55 118.93 1p6t n ASP 146 Ca 0.00 -0.80 -0.05 0.00 0.71 0.00 0.00 54.79 54.66 1p6t n ASP 146 Cb 0.41 0.88 0.07 0.00 -0.02 0.00 0.00 41.12 42.46 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p6t n SER 147 N -1.00 -1.44 -0.32 -2.24 7.64 0.75 -4.82 113.62 112.19 1p6t n SER 147 Ca 0.02 -2.14 0.20 0.00 1.01 0.00 0.00 58.87 57.97 1p6t n SER 147 Cb 0.15 1.21 0.47 0.00 -1.01 0.00 0.00 64.21 65.03 1p6t n SER 147 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1p6t h ILE 148 N 0.97 0.57 -6.05 0.44 3.07 -1.62 -3.44 117.51 111.46 1p6t h ILE 148 Ca -0.36 -0.16 -0.35 0.00 1.55 0.00 0.00 64.86 65.54 1p6t h ILE 148 Cb 1.22 0.06 0.08 0.00 -0.27 0.00 0.00 36.82 37.91 1p6t h ILE 148 CO -0.05 0.09 -0.80 1.21 -1.05 0.00 0.00 178.15 177.54 1p6t n GLU 149 N -4.66 -1.39 -3.86 0.16 2.13 -1.26 -5.00 120.64 106.77 1p6t n GLU 149 Ca 0.24 0.70 -0.36 0.00 0.66 0.00 0.00 57.16 58.41 1p6t n GLU 149 Cb 0.79 -4.38 -0.12 0.00 0.27 0.00 0.00 31.44 28.00 1p6t n GLU 149 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1p6t s GLY 150 N -3.33 1.76 0.00 8.31 0.00 -1.26 -5.26 107.32 107.54 1p6t s GLY 150 Ca 0.35 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1p6t s GLY 150 CO 0.83 0.42 0.00 -2.13 0.00 0.00 0.00 173.10 172.22