#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 5.81 -3.18 4.03 4.77 -1.26 -4.56 117.00 122.61 1p6t n LEU 2 Ca 0.00 -3.28 -0.20 0.00 -0.03 0.00 0.00 56.01 52.50 1p6t n LEU 2 Cb 0.00 -1.32 -0.01 0.00 -2.33 0.00 0.00 43.42 39.77 1p6t n LEU 2 CO 0.00 1.52 -0.06 -0.24 -1.33 0.00 0.00 177.39 177.28 1p6t n SER 3 N 3.03 -3.34 -2.05 -1.43 2.88 -1.26 -4.82 113.62 106.64 1p6t n SER 3 Ca 0.50 -0.24 -0.14 0.00 -1.33 0.00 0.00 58.87 57.65 1p6t n SER 3 Cb 0.57 -2.80 -0.12 0.00 -0.75 0.00 0.00 64.21 61.10 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1p6t n GLU 4 N -3.46 1.98 -2.43 -1.46 2.13 -1.26 -4.92 120.64 111.22 1p6t n GLU 4 Ca -0.03 -1.21 -0.40 0.00 0.66 0.00 0.00 57.16 56.18 1p6t n GLU 4 Cb 0.54 -1.92 -0.04 0.00 0.27 0.00 0.00 31.44 30.29 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 0.23 4.59 0.54 5.31 -1.52 -1.26 -4.16 119.66 123.39 1p6t s GLN 5 Ca 0.58 1.84 0.08 0.00 -1.95 0.00 0.00 55.36 55.91 1p6t s GLN 5 Cb 0.30 -3.19 0.06 0.00 -0.22 0.00 0.00 33.01 29.96 1p6t s GLN 5 CO -0.05 0.12 0.63 -1.59 -0.25 0.00 0.00 175.29 174.16 1p6t s LYS 6 N -1.22 2.34 -0.14 2.91 -2.85 -0.51 -4.94 119.74 115.34 1p6t s LYS 6 Ca 0.46 -1.72 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 1p6t s LYS 6 Cb -0.33 -2.47 0.02 0.00 -2.06 0.00 0.00 37.83 33.00 1p6t s LYS 6 CO 0.41 -0.70 -0.13 -1.21 0.10 0.00 0.00 175.35 173.82 1p6t s GLU 7 N -4.49 2.12 -0.23 1.78 8.01 -1.26 -2.60 118.70 122.03 1p6t s GLU 7 Ca 0.52 -0.49 -0.07 0.00 0.01 0.00 0.00 54.97 54.94 1p6t s GLU 7 Cb -0.05 -1.98 -0.03 0.00 -4.31 0.00 0.00 34.13 27.77 1p6t s GLU 7 CO 0.32 -0.23 0.06 -1.50 0.01 0.00 0.00 175.26 173.93 1p6t s ILE 8 N 1.50 4.38 -0.22 -1.63 1.10 0.15 -4.89 121.20 121.60 1p6t s ILE 8 Ca 0.04 -0.15 -0.04 0.00 -0.51 0.00 0.00 60.65 59.99 1p6t s ILE 8 Cb -0.13 -3.03 -0.01 0.00 0.15 0.00 0.00 42.46 39.44 1p6t s ILE 8 CO -0.10 0.37 -0.04 0.00 -2.11 0.00 0.00 174.94 173.06 1p6t s ALA 9 N 1.33 2.84 0.28 1.50 0.00 -1.26 -0.73 121.76 125.72 1p6t s ALA 9 Ca 0.05 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1p6t s ALA 9 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1p6t s ALA 9 CO 0.03 -0.39 0.25 -1.64 0.00 0.00 0.00 175.76 174.01 1p6t s MET 10 N 1.41 1.54 -0.18 0.00 -1.94 0.38 -3.31 119.30 117.21 1p6t s MET 10 Ca 0.05 -1.81 0.00 0.00 -1.71 0.00 0.00 55.69 52.22 1p6t s MET 10 Cb -0.14 0.32 0.02 0.00 2.01 0.00 0.00 34.83 37.03 1p6t s MET 10 CO -0.02 -0.56 -0.18 -1.14 -0.01 0.00 0.00 175.02 173.11 1p6t s GLN 11 N -3.71 3.05 -0.04 2.03 -0.44 -1.26 0.15 119.66 119.44 1p6t s GLN 11 Ca 0.38 -0.80 0.01 0.00 -2.50 0.00 0.00 55.36 52.46 1p6t s GLN 11 Cb 0.04 -2.63 -0.03 0.00 -1.64 0.00 0.00 33.01 28.74 1p6t s GLN 11 CO 0.20 -0.20 -0.04 0.54 0.50 0.00 0.00 175.29 176.30 1p6t s VAL 12 N 1.29 3.93 0.81 1.34 0.11 -1.26 -0.74 120.40 125.88 1p6t s VAL 12 Ca 0.05 -0.54 -0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1p6t s VAL 12 Cb -0.13 -2.68 0.15 0.00 -1.53 0.00 0.00 36.38 32.19 1p6t s VAL 12 CO -0.11 0.49 1.12 -0.44 -3.33 0.00 0.00 175.10 172.83 1p6t s SER 13 N -1.16 3.89 -0.92 3.54 0.01 0.03 -4.57 113.70 114.52 1p6t s SER 13 Ca 0.16 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1p6t s SER 13 Cb -0.11 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1p6t s SER 13 CO 0.05 -2.19 0.00 0.61 0.41 0.00 0.00 173.24 172.12 1p6t n GLY 14 N -3.18 0.87 3.57 3.44 0.00 -1.26 -4.55 105.19 104.08 1p6t n GLY 14 Ca 0.15 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.07 2.99 0.65 1.61 1.00 -1.26 -4.76 119.30 116.45 1p6t s MET 15 Ca 0.00 -1.21 0.43 0.00 0.00 0.00 0.00 55.69 54.91 1p6t s MET 15 Cb 0.00 -5.30 2.31 0.00 0.00 0.00 0.00 34.83 31.85 1p6t s MET 15 CO 0.00 -3.26 2.33 1.15 0.00 0.00 0.00 175.02 175.24 1p6t h THR 16 N 6.29 0.03 0.00 2.05 2.02 -1.97 -3.49 112.91 117.84 1p6t h THR 16 Ca 0.25 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1p6t h THR 16 Cb 0.94 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1p6t h THR 16 CO 1.30 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.19 1p6t n ALA 18 N 0.04 -1.18 0.12 0.00 0.00 -1.26 -4.23 120.51 114.01 1p6t n ALA 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p6t n ALA 18 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 19 N -3.98 0.00 0.29 0.00 0.00 -1.26 -4.85 120.51 110.71 1p6t n ALA 19 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1p6t n ALA 19 Cb 0.50 0.00 -0.08 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 -0.44 -0.41 -0.93 0.00 0.00 -1.92 -0.15 119.26 115.42 1p6t h ALA 21 Ca -0.07 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 21 Cb 0.60 1.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 1p6t h ALA 21 CO 0.12 -0.63 0.53 0.00 0.00 0.00 0.00 179.25 179.28 1p6t h ALA 22 N -0.24 1.43 -0.21 0.00 0.00 -1.79 0.22 119.26 118.66 1p6t h ALA 22 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1p6t h ALA 22 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1p6t h ALA 22 CO -0.50 0.02 0.10 0.00 0.00 0.00 0.00 179.25 178.87 1p6t h ARG 23 N 0.77 0.31 0.70 0.00 2.47 0.09 0.80 114.38 119.51 1p6t h ARG 23 Ca 0.50 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 59.14 1p6t h ARG 23 Cb 0.65 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1p6t h ARG 23 CO -0.33 0.33 -0.34 0.82 0.56 0.00 0.00 179.97 181.01 1p6t h ILE 24 N 0.21 0.27 -0.73 2.04 2.04 0.94 0.79 117.51 123.08 1p6t h ILE 24 Ca 0.07 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1p6t h ILE 24 Cb 0.13 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 1p6t h ILE 24 CO -0.01 0.01 0.39 -0.33 0.00 0.00 0.00 178.15 178.21 1p6t h GLU 25 N -1.02 0.65 0.17 2.37 4.39 -0.63 0.24 114.58 120.75 1p6t h GLU 25 Ca -0.10 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1p6t h GLU 25 Cb 0.74 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1p6t h GLU 25 CO 0.16 0.43 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.14 1p6t h LYS 26 N 0.67 -0.22 -0.80 2.33 3.64 -0.78 0.13 116.57 121.55 1p6t h LYS 26 Ca 0.35 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 1p6t h LYS 26 Cb 0.31 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1p6t h LYS 26 CO -0.24 -0.14 0.48 0.78 -2.27 0.00 0.00 179.45 178.06 1p6t h GLY 27 N -0.23 1.20 1.04 5.01 0.00 0.61 -2.30 103.07 108.40 1p6t h GLY 27 Ca -0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 1p6t h GLY 27 CO 0.04 0.21 -0.41 1.41 0.00 0.00 0.00 176.54 177.79 1p6t h LEU 28 N 0.86 0.84 -2.28 3.11 -0.00 -0.45 -2.79 115.31 114.61 1p6t h LEU 28 Ca 0.36 -0.51 0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1p6t h LEU 28 Cb 0.20 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1p6t h LEU 28 CO -0.19 1.19 0.24 0.50 -0.00 0.00 0.00 178.44 180.19 1p6t h LYS 29 N 0.52 0.00 -0.03 1.13 1.63 -0.20 0.35 116.57 119.97 1p6t h LYS 29 Ca 0.03 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1p6t h LYS 29 Cb 1.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1p6t h LYS 29 CO 0.10 0.00 0.03 -0.09 -3.45 0.00 0.00 179.45 176.03 1p6t h ARG 30 N 0.00 0.00 -7.02 1.90 9.65 -1.16 -3.44 114.38 114.31 1p6t h ARG 30 Ca 0.02 0.00 -0.46 0.00 -1.10 0.00 0.00 59.98 58.45 1p6t h ARG 30 Cb 0.51 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1p6t h ARG 30 CO -0.00 0.00 0.36 -1.64 2.80 0.00 0.00 179.97 181.49 1p6t s MET 31 N -4.96 4.20 0.05 0.20 -1.94 0.11 -5.00 119.30 111.96 1p6t s MET 31 Ca -0.05 1.25 -0.18 0.00 -1.71 0.00 0.00 55.69 55.00 1p6t s MET 31 Cb 0.17 -2.32 -0.15 0.00 2.01 0.00 0.00 34.83 34.54 1p6t s MET 31 CO 0.64 -0.07 1.29 -1.00 -0.01 0.00 0.00 175.02 175.87 1p6t h PRO 32 N 2.13 0.49 0.00 2.03 0.13 -1.85 -3.23 132.00 131.70 1p6t h PRO 32 Ca -0.49 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1p6t h PRO 32 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1p6t h PRO 32 CO 0.61 0.94 0.00 0.78 -0.23 0.00 0.00 178.00 180.11 1p6t h GLY 33 N 0.11 0.00 -7.23 1.56 0.00 -1.90 -3.42 103.07 92.19 1p6t h GLY 33 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1p6t h GLY 33 CO 0.07 0.00 1.44 0.14 0.00 0.00 0.00 176.54 178.19 1p6t s VAL 34 N -3.31 3.22 -0.11 4.60 1.01 -1.22 -1.25 120.40 123.35 1p6t s VAL 34 Ca 0.06 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 1p6t s VAL 34 Cb 0.09 -3.40 -0.27 0.00 0.00 0.00 0.00 36.38 32.80 1p6t s VAL 34 CO 0.52 -0.33 0.70 0.74 0.00 0.00 0.00 175.10 176.73 1p6t h THR 35 N 7.14 1.40 -2.62 3.92 2.02 -0.94 -3.46 112.91 120.36 1p6t h THR 35 Ca -0.31 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.33 1p6t h THR 35 Cb 1.21 3.02 -0.28 0.00 -1.74 0.00 0.00 68.15 70.36 1p6t h THR 35 CO 1.09 0.64 -0.38 -0.62 0.37 0.00 0.00 175.52 176.62 1p6t s ASP 36 N -6.77 -0.24 -0.30 4.18 -1.08 -0.30 -5.02 116.67 107.15 1p6t s ASP 36 Ca -0.18 0.89 -0.05 0.00 -0.52 0.00 0.00 52.55 52.69 1p6t s ASP 36 Cb 0.01 1.06 0.03 0.00 -1.46 0.00 0.00 42.92 42.56 1p6t s ASP 36 CO 0.75 -0.22 0.05 0.00 0.52 0.00 0.00 175.17 176.27 1p6t s ALA 37 N 2.20 2.95 0.32 3.66 0.00 -1.26 -0.03 121.76 129.61 1p6t s ALA 37 Ca -0.04 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1p6t s ALA 37 Cb -0.11 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1p6t s ALA 37 CO -0.12 -1.05 0.08 -0.80 0.00 0.00 0.00 175.76 173.87 1p6t s ASN 38 N 1.41 2.13 -0.19 0.00 0.01 -0.57 -4.83 114.94 112.89 1p6t s ASN 38 Ca 0.00 -1.43 -0.05 0.00 -0.71 0.00 0.00 52.86 50.67 1p6t s ASN 38 Cb -0.18 0.07 0.10 0.00 0.41 0.00 0.00 41.25 41.65 1p6t s ASN 38 CO 0.01 -0.69 0.36 0.54 -1.51 0.00 0.00 177.10 175.81 1p6t s VAL 39 N -3.40 -0.57 -1.28 1.60 0.11 -1.26 -0.34 120.40 115.27 1p6t s VAL 39 Ca 0.35 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 1p6t s VAL 39 Cb 0.08 -0.66 0.11 0.00 -1.53 0.00 0.00 36.38 34.38 1p6t s VAL 39 CO 0.15 0.01 1.68 0.59 -3.33 0.00 0.00 175.10 174.20 1p6t n ASN 40 N 5.37 4.97 -0.14 3.54 4.13 0.54 -4.79 115.26 128.88 1p6t n ASN 40 Ca -0.06 -2.95 0.25 0.00 1.68 0.00 0.00 54.58 53.50 1p6t n ASN 40 Cb 0.50 -1.65 0.69 0.00 -1.54 0.00 0.00 39.78 37.78 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 10.82 0.05 -1.96 3.41 8.10 -1.93 -0.06 115.31 133.75 1p6t h LEU 41 Ca 0.41 0.01 0.11 0.00 0.11 0.00 0.00 57.88 58.51 1p6t h LEU 41 Cb 0.83 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.03 1p6t h LEU 41 CO 1.43 0.02 0.29 0.00 -4.11 0.00 0.00 178.44 176.07 1p6t h ALA 42 N 1.61 2.32 -0.09 0.17 0.00 -1.96 0.14 119.26 121.45 1p6t h ALA 42 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1p6t h ALA 42 Cb 1.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1p6t h ALA 42 CO -0.02 -0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.04 1p6t n THR 43 N -4.43 0.87 -3.70 0.00 -2.24 -0.19 -5.02 114.28 99.57 1p6t n THR 43 Ca 0.07 -0.93 -0.28 0.00 -2.27 0.00 0.00 64.05 60.63 1p6t n THR 43 Cb 0.45 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.13 -1.14 -3.68 -0.78 1.02 0.04 -5.00 120.64 110.96 1p6t n GLU 44 Ca 0.03 0.62 -0.28 0.00 -0.02 0.00 0.00 57.16 57.51 1p6t n GLU 44 Cb 0.28 -3.50 -0.16 0.00 -0.02 0.00 0.00 31.44 28.04 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 -3.27 0.40 -0.13 2.62 2.01 -0.51 -4.46 115.64 112.32 1p6t s THR 45 Ca 0.27 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1p6t s THR 45 Cb -0.11 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1p6t s THR 45 CO 0.88 -0.42 1.02 0.54 -0.69 0.00 0.00 174.62 175.95 1p6t s VAL 46 N 1.89 4.75 -0.27 3.82 0.11 0.12 -0.34 120.40 130.48 1p6t s VAL 46 Ca 0.04 2.03 0.01 0.00 -2.93 0.00 0.00 61.98 61.12 1p6t s VAL 46 Cb -0.17 -4.31 0.08 0.00 -1.53 0.00 0.00 36.38 30.45 1p6t s VAL 46 CO -0.17 -0.03 0.01 0.54 -3.33 0.00 0.00 175.10 172.12 1p6t s ASN 47 N 1.13 4.02 -0.14 3.54 2.20 0.54 -0.47 114.94 125.76 1p6t s ASN 47 Ca 0.48 -1.46 0.01 0.00 -0.94 0.00 0.00 52.86 50.95 1p6t s ASN 47 Cb -0.18 -1.15 -0.00 0.00 -2.00 0.00 0.00 41.25 37.91 1p6t s ASN 47 CO 0.16 -0.31 -0.17 -0.69 -2.94 0.00 0.00 177.10 173.14 1p6t s VAL 48 N 1.38 2.53 -0.21 3.54 1.01 0.09 -1.52 120.40 127.22 1p6t s VAL 48 Ca 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1p6t s VAL 48 Cb -0.18 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1p6t s VAL 48 CO -0.11 0.53 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 1p6t s ILE 49 N 0.66 3.31 0.27 2.22 1.01 0.96 -0.68 121.20 128.95 1p6t s ILE 49 Ca -0.09 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1p6t s ILE 49 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1p6t s ILE 49 CO 0.02 0.43 0.66 -0.72 0.00 0.00 0.00 174.94 175.33 1p6t s TYR 50 N 1.41 -0.06 -0.14 3.97 1.13 -1.07 -0.34 117.35 122.25 1p6t s TYR 50 Ca 0.05 -0.38 -0.22 0.00 -1.41 0.00 0.00 57.07 55.11 1p6t s TYR 50 Cb -0.14 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 1p6t s TYR 50 CO -0.03 -1.18 0.65 0.34 -2.51 0.00 0.00 175.55 172.82 1p6t s ASP 51 N -2.94 6.80 0.00 -0.18 -1.08 -0.38 -1.43 116.67 117.46 1p6t s ASP 51 Ca 0.14 0.97 -0.01 0.00 -0.52 0.00 0.00 52.55 53.13 1p6t s ASP 51 Cb -0.05 -2.37 -0.05 0.00 -1.46 0.00 0.00 42.92 38.99 1p6t s ASP 51 CO 0.07 -0.20 2.18 -0.81 0.52 0.00 0.00 175.17 176.93 1p6t n PRO 52 N 4.47 1.12 0.00 4.34 -0.04 -1.26 -2.90 135.00 140.73 1p6t n PRO 52 Ca -0.02 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1p6t n PRO 52 Cb 0.50 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.76 1.36 0.53 0.55 0.00 -1.26 -4.82 120.51 118.62 1p6t n ALA 53 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1p6t n ALA 53 Cb 0.54 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.25 0.22 0.00 0.00 1.02 -1.14 -4.69 120.64 113.79 1p6t n GLU 54 Ca 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1p6t n GLU 54 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -2.21 0.00 0.00 2.62 -1.04 -1.20 -3.87 114.28 108.58 1p6t n THR 55 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1p6t n THR 55 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.38 2.58 0.27 3.41 0.00 -1.25 -4.59 105.19 105.98 1p6t n GLY 56 Ca 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.61 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 1.60 -0.31 -0.11 2.61 5.66 -1.26 0.01 114.28 122.47 1p6t n THR 57 Ca 0.00 1.69 -0.02 0.00 -3.05 0.00 0.00 64.05 62.67 1p6t n THR 57 Cb 0.00 -2.36 0.21 0.00 -1.55 0.00 0.00 70.33 66.63 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 1.49 1.25 -0.19 1.79 0.00 -1.90 0.12 119.26 121.81 1p6t h ALA 58 Ca 0.37 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1p6t h ALA 58 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p6t h ALA 58 CO -0.76 0.52 -0.48 0.00 0.00 0.00 0.00 179.25 178.53 1p6t h ALA 59 N 1.38 0.80 0.70 0.00 0.00 -0.67 0.14 119.26 121.62 1p6t h ALA 59 Ca 0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1p6t h ALA 59 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1p6t h ALA 59 CO -0.00 0.67 -0.40 0.82 0.00 0.00 0.00 179.25 180.34 1p6t h ILE 60 N 0.41 0.20 -0.78 0.00 1.08 -0.59 -0.36 117.51 117.46 1p6t h ILE 60 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1p6t h ILE 60 Cb 1.00 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 1p6t h ILE 60 CO 0.09 0.00 0.36 0.06 -0.69 0.00 0.00 178.15 177.97 1p6t h GLN 61 N -1.02 1.13 -0.62 2.37 -0.00 -1.00 -0.69 115.11 115.28 1p6t h GLN 61 Ca -0.09 -0.17 0.09 0.00 -0.00 0.00 0.00 58.65 58.48 1p6t h GLN 61 Cb 0.81 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.48 28.02 1p6t h GLN 61 CO 0.12 0.88 0.24 1.49 -0.00 0.00 0.00 178.83 181.55 1p6t h GLU 62 N 1.11 0.42 -0.32 0.06 4.57 -0.57 -1.06 114.58 118.79 1p6t h GLU 62 Ca 0.27 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.25 1p6t h GLU 62 Cb 0.13 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1p6t h GLU 62 CO -0.03 0.27 -0.48 -0.22 -1.18 0.00 0.00 179.01 177.38 1p6t h LYS 63 N 0.43 0.86 -0.31 1.92 1.63 0.39 0.15 116.57 121.64 1p6t h LYS 63 Ca 0.31 -0.50 0.06 0.00 -0.85 0.00 0.00 60.65 59.67 1p6t h LYS 63 Cb 0.38 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 1p6t h LYS 63 CO -0.30 1.14 -0.07 0.82 -3.45 0.00 0.00 179.45 177.58 1p6t h ILE 64 N 0.68 0.70 -0.17 2.00 2.04 -0.75 0.28 117.51 122.28 1p6t h ILE 64 Ca 0.03 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1p6t h ILE 64 Cb 1.07 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1p6t h ILE 64 CO 0.11 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 178.00 1p6t h GLU 65 N 0.00 0.25 0.00 2.37 5.08 -0.71 -2.52 114.58 119.06 1p6t h GLU 65 Ca 0.15 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1p6t h GLU 65 Cb 0.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1p6t h GLU 65 CO -0.31 0.31 -0.08 0.87 -1.00 0.00 0.00 179.01 178.79 1p6t h LYS 66 N 0.14 0.00 0.00 2.33 1.57 -0.41 0.14 116.57 120.34 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 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1p6t h LYS 66 CO -0.01 0.08 0.00 1.28 -0.57 0.00 0.00 179.45 180.24 1p6t n LEU 67 N -3.64 0.00 -0.31 2.94 7.99 0.97 -4.88 117.00 120.07 1p6t n LEU 67 Ca -0.02 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.28 1p6t n LEU 67 Cb 0.20 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1p6t n LEU 67 CO 0.29 -0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 1p6t n GLY 68 N 0.28 0.78 3.45 -0.72 0.00 0.48 -5.03 105.19 104.43 1p6t n GLY 68 Ca 0.08 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.22 1.76 -0.03 1.61 1.51 -1.09 -5.05 117.35 113.84 1p6t s TYR 69 Ca 0.00 -1.40 -0.01 0.00 -1.01 0.00 0.00 57.07 54.65 1p6t s TYR 69 Cb 0.00 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1p6t s TYR 69 CO 0.00 -0.47 0.05 -1.58 -1.11 0.00 0.00 175.55 172.45 1p6t s HIS 70 N -3.29 -0.00 0.08 2.71 2.46 -1.26 -4.24 115.29 111.74 1p6t s HIS 70 Ca 0.28 0.21 -0.25 0.00 0.47 0.00 0.00 55.06 55.78 1p6t s HIS 70 Cb 0.02 -0.23 -0.06 0.00 -0.13 0.00 0.00 32.58 32.18 1p6t s HIS 70 CO 0.18 -0.11 0.76 0.14 -2.47 0.00 0.00 174.74 173.23 1p6t s VAL 71 N 1.21 4.63 -1.44 0.89 -7.23 -1.26 -0.79 120.40 116.40 1p6t s VAL 71 Ca -0.08 1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 61.61 1p6t s VAL 71 Cb -0.13 -4.11 0.05 0.00 0.56 0.00 0.00 36.38 32.75 1p6t s VAL 71 CO -0.04 0.42 2.38 0.52 -0.31 0.00 0.00 175.10 178.08 1p6t n VAL 72 N 2.40 4.21 -4.96 1.32 0.31 0.08 -4.86 118.33 116.83 1p6t n VAL 72 Ca -0.04 -3.43 -0.28 0.00 -0.01 0.00 0.00 64.34 60.58 1p6t n VAL 72 Cb 0.50 -2.46 -0.16 0.00 -0.91 0.00 0.00 33.84 30.80 1p6t n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1p6t s THR 73 N 1.51 1.62 -0.00 2.52 2.01 -1.26 -4.39 115.64 117.65 1p6t s THR 73 Ca 0.53 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.80 1p6t s THR 73 Cb 0.15 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1p6t s THR 73 CO -0.06 0.46 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.47 1p6t s GLU 74 N 0.07 1.93 -0.62 4.92 0.41 -0.18 -4.87 118.70 120.36 1p6t s GLU 74 Ca -0.06 -0.94 -0.26 0.00 -0.41 0.00 0.00 54.97 53.30 1p6t s GLU 74 Cb -0.13 -1.93 0.04 0.00 -1.78 0.00 0.00 34.13 30.33 1p6t s GLU 74 CO 0.03 0.52 1.10 -1.59 -0.49 0.00 0.00 175.26 174.83 1p6t s LYS 75 N -0.77 3.32 -0.25 1.61 -2.85 -1.26 -1.45 119.74 118.09 1p6t s LYS 75 Ca 0.10 -0.19 -0.11 0.00 -1.00 0.00 0.00 55.97 54.77 1p6t s LYS 75 Cb -0.10 -4.10 -0.05 0.00 -2.06 0.00 0.00 37.83 31.53 1p6t s LYS 75 CO -0.00 -1.74 0.19 0.00 0.10 0.00 0.00 175.35 173.89 1p6t s ALA 76 N 4.67 3.58 -0.79 0.59 0.00 0.32 -4.90 121.76 125.23 1p6t s ALA 76 Ca 0.34 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 51.13 1p6t s ALA 76 Cb -0.11 -2.40 0.06 0.00 0.00 0.00 0.00 23.12 20.68 1p6t s ALA 76 CO 0.19 -0.32 1.20 -1.21 0.00 0.00 0.00 175.76 175.62 1p6t s GLU 77 N 1.31 3.29 0.39 0.00 8.01 -1.26 -0.61 118.70 129.83 1p6t s GLU 77 Ca 0.08 -0.79 -0.07 0.00 0.01 0.00 0.00 54.97 54.20 1p6t s GLU 77 Cb -0.14 -4.52 -0.05 0.00 -4.31 0.00 0.00 34.13 25.11 1p6t s GLU 77 CO 0.07 -2.01 0.71 -0.06 0.01 0.00 0.00 175.26 173.97 1p6t s PHE 78 N 4.69 3.50 0.13 1.61 0.40 0.74 -1.86 117.98 127.19 1p6t s PHE 78 Ca 0.33 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 57.59 1p6t s PHE 78 Cb -0.09 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1p6t s PHE 78 CO 0.06 -0.07 -0.13 0.34 0.70 0.00 0.00 175.22 176.11 1p6t s ASP 79 N -3.45 4.15 -0.04 1.36 -1.08 0.28 -0.54 116.67 117.35 1p6t s ASP 79 Ca 0.48 -0.50 0.03 0.00 -0.52 0.00 0.00 52.55 52.04 1p6t s ASP 79 Cb -0.10 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.67 1p6t s ASP 79 CO 0.35 0.16 -0.14 -0.63 0.52 0.00 0.00 175.17 175.43 1p6t s ILE 80 N -1.29 1.18 -0.34 4.11 1.01 0.26 0.03 121.20 126.16 1p6t s ILE 80 Ca 0.21 -0.57 0.15 0.00 0.00 0.00 0.00 60.65 60.44 1p6t s ILE 80 Cb -0.10 -1.03 0.45 0.00 0.01 0.00 0.00 42.46 41.79 1p6t s ILE 80 CO 0.13 0.35 1.00 1.21 0.00 0.00 0.00 174.94 177.62 1p6t n GLU 81 N 3.28 1.71 0.01 2.79 2.13 -0.57 -4.78 120.64 125.21 1p6t n GLU 81 Ca -0.19 -3.55 0.00 0.00 0.66 0.00 0.00 57.16 54.08 1p6t n GLU 81 Cb 0.53 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 -0.19 -0.03 3.43 8.31 0.00 -1.26 -4.41 105.19 111.04 1p6t n GLY 82 Ca 0.16 0.00 -0.29 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 -2.62 -2.21 0.01 1.61 0.00 -1.26 -4.98 117.12 107.66 1p6t n MET 83 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 57.70 57.08 1p6t n MET 83 Cb 0.03 -2.06 0.00 0.00 0.00 0.00 0.00 33.22 31.18 1p6t n MET 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1p6t n THR 84 N -4.83 0.00 0.00 3.17 -2.24 -1.26 -5.05 114.28 104.07 1p6t n THR 84 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1p6t n THR 84 Cb 0.56 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p6t n ALA 86 N -1.88 -2.51 -0.14 0.00 0.00 -1.26 -4.82 120.51 109.90 1p6t n ALA 86 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1p6t n ALA 86 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1p6t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 87 N -4.48 2.83 -0.03 0.00 0.00 -1.26 -4.28 120.51 113.30 1p6t n ALA 87 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 1p6t n ALA 87 Cb 0.55 -1.34 -0.10 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 0.45 1.68 -0.26 0.00 0.00 -1.96 0.61 119.26 119.78 1p6t h ALA 89 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1p6t h ALA 89 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1p6t h ALA 89 CO 0.02 0.22 -0.25 -0.91 0.00 0.00 0.00 179.25 178.33 1p6t h ASN 90 N 0.76 0.67 0.10 0.00 2.35 -1.81 0.61 115.58 118.26 1p6t h ASN 90 Ca 0.29 -0.47 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1p6t h ASN 90 Cb 0.19 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1p6t h ASN 90 CO -0.09 1.00 -0.20 0.03 -1.65 0.00 0.00 177.43 176.52 1p6t h ARG 91 N 0.35 -0.36 -0.80 0.81 3.08 -0.02 0.25 114.38 117.69 1p6t h ARG 91 Ca 0.04 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1p6t h ARG 91 Cb 0.81 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1p6t h ARG 91 CO 0.06 -0.24 0.50 -0.84 -1.07 0.00 0.00 179.97 178.38 1p6t h ILE 92 N -0.37 1.22 0.58 2.04 3.07 -0.86 -1.51 117.51 121.68 1p6t h ILE 92 Ca 0.03 -0.46 -0.02 0.00 1.55 0.00 0.00 64.86 65.96 1p6t h ILE 92 Cb 0.40 0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.01 1p6t h ILE 92 CO -0.12 0.22 -0.40 -0.08 -1.05 0.00 0.00 178.15 176.73 1p6t h GLU 93 N 1.10 -0.90 0.00 0.16 4.22 -0.41 0.26 114.58 119.02 1p6t h GLU 93 Ca 0.29 0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.79 1p6t h GLU 93 Cb -0.07 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1p6t h GLU 93 CO -0.06 -0.60 -0.01 0.87 -2.18 0.00 0.00 179.01 177.03 1p6t h LYS 94 N -0.93 0.00 0.00 1.92 1.79 -0.81 0.15 116.57 118.69 1p6t h LYS 94 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1p6t h LYS 94 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1p6t h LYS 94 CO 0.06 0.01 0.00 0.54 -1.08 0.00 0.00 179.45 178.98 1p6t n ARG 95 N -3.20 0.00 -0.28 3.15 3.00 -0.58 -4.47 116.66 114.29 1p6t n ARG 95 Ca -0.02 0.30 0.09 0.00 -0.01 0.00 0.00 57.85 58.21 1p6t n ARG 95 Cb 0.15 -0.96 0.23 0.00 0.00 0.00 0.00 32.46 31.88 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1p6t h LEU 96 N 0.00 -0.12 -0.81 0.55 3.38 0.33 0.53 115.31 119.17 1p6t h LEU 96 Ca 0.00 0.19 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1p6t h LEU 96 Cb 0.00 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 1p6t h LEU 96 CO 0.00 -0.15 0.24 -3.20 0.09 0.00 0.00 178.44 175.43 1p6t n ASN 97 N -5.26 0.11 -3.27 -0.43 2.85 0.46 -2.47 115.26 107.25 1p6t n ASN 97 Ca 0.18 1.36 -0.19 0.00 -0.11 0.00 0.00 54.58 55.81 1p6t n ASN 97 Cb 0.58 -0.58 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 1p6t n ASN 97 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1p6t s LYS 98 N -5.47 0.80 0.00 1.20 0.00 0.15 -4.18 119.74 112.25 1p6t s LYS 98 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 55.97 54.51 1p6t s LYS 98 Cb 0.26 -0.89 0.00 0.00 0.00 0.00 0.00 37.83 37.20 1p6t s LYS 98 CO 0.63 -1.29 0.00 -0.89 0.00 0.00 0.00 175.35 173.80 1p6t n ILE 99 N 3.51 0.00 0.00 3.79 2.08 -1.03 -4.91 119.36 122.79 1p6t n ILE 99 Ca 0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.50 1p6t n ILE 99 Cb 0.47 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 39.30 1p6t n ILE 99 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1p6t n GLU 100 N 0.00 0.00 -1.36 0.38 4.71 -1.26 -4.77 120.64 118.34 1p6t n GLU 100 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1p6t n GLU 100 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p6t n GLY 101 N 4.04 4.10 3.40 0.62 0.00 -1.21 -4.30 105.19 111.85 1p6t n GLY 101 Ca 0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 3.56 -0.03 1.61 1.01 -1.26 -0.59 120.40 125.63 1p6t s VAL 102 Ca 0.66 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1p6t s VAL 102 Cb 0.23 -2.58 -0.13 0.00 0.00 0.00 0.00 36.38 33.90 1p6t s VAL 102 CO -0.06 0.46 0.88 0.00 0.00 0.00 0.00 175.10 176.38 1p6t h ALA 103 N 7.31 -0.45 -2.87 5.51 0.00 -0.71 -3.45 119.26 124.60 1p6t h ALA 103 Ca -0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1p6t h ALA 103 Cb 1.18 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1p6t h ALA 103 CO 0.60 -0.48 -0.03 -0.80 0.00 0.00 0.00 179.25 178.54 1p6t s ASN 104 N -5.10 -0.14 -0.47 0.00 0.01 -1.01 -4.55 114.94 103.69 1p6t s ASN 104 Ca -0.11 -0.83 0.06 0.00 -0.71 0.00 0.00 52.86 51.27 1p6t s ASN 104 Cb 0.01 0.62 0.28 0.00 0.41 0.00 0.00 41.25 42.57 1p6t s ASN 104 CO 0.40 -1.19 0.99 0.00 -1.51 0.00 0.00 177.10 175.79 1p6t n ALA 105 N -0.40 -0.85 -1.76 0.60 0.00 -1.26 -0.67 120.51 116.17 1p6t n ALA 105 Ca -0.03 -1.57 -0.42 0.00 0.00 0.00 0.00 53.44 51.42 1p6t n ALA 105 Cb 0.61 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 0.30 4.14 -0.08 0.00 0.04 -1.17 -4.57 135.00 133.66 1p6t s PRO 106 Ca 0.27 2.56 -0.03 0.00 0.04 0.00 0.00 61.00 63.84 1p6t s PRO 106 Cb 0.26 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1p6t s PRO 106 CO -0.14 -0.76 0.06 0.08 0.04 0.00 0.00 177.00 176.28 1p6t s VAL 107 N 1.71 4.79 0.30 -0.36 1.01 -1.26 -1.41 120.40 125.18 1p6t s VAL 107 Ca 0.76 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1p6t s VAL 107 Cb -0.47 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1p6t s VAL 107 CO 0.33 0.57 0.48 0.20 0.00 0.00 0.00 175.10 176.69 1p6t s ASN 108 N -1.07 6.31 0.00 3.32 -0.87 0.07 -5.00 114.94 117.70 1p6t s ASN 108 Ca 0.15 0.35 0.01 0.00 -1.57 0.00 0.00 52.86 51.81 1p6t s ASN 108 Cb -0.12 -1.99 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 1p6t s ASN 108 CO 0.05 -0.21 0.80 0.33 -2.57 0.00 0.00 177.10 175.50 1p6t n PHE 109 N -1.56 0.03 -0.06 2.20 7.35 -1.26 -4.27 117.46 119.89 1p6t n PHE 109 Ca -0.06 -0.27 -0.10 0.00 -0.76 0.00 0.00 57.45 56.26 1p6t n PHE 109 Cb 0.56 -0.03 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 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 2.02 0.17 3.13 0.00 -1.26 -4.71 120.51 119.69 1p6t n ALA 110 Ca 0.01 -0.46 0.10 0.00 0.00 0.00 0.00 53.44 53.09 1p6t n ALA 110 Cb 0.16 0.30 0.09 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.22 0.00 -1.62 0.00 3.38 -2.01 -3.48 115.31 111.36 1p6t h LEU 111 Ca -0.27 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.36 1p6t h LEU 111 Cb 1.31 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.22 1p6t h LEU 111 CO -0.11 0.10 -0.77 -0.62 0.09 0.00 0.00 178.44 177.12 1p6t n GLU 112 N -2.99 -6.53 -4.27 1.13 1.02 -1.26 -4.92 120.64 102.82 1p6t n GLU 112 Ca 0.02 0.83 -0.15 0.00 -0.02 0.00 0.00 57.16 57.83 1p6t n GLU 112 Cb 0.58 -5.80 -0.10 0.00 -0.02 0.00 0.00 31.44 26.10 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 -3.39 1.25 -0.07 2.62 -4.23 -1.26 -0.58 115.64 109.98 1p6t s THR 113 Ca 0.03 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1p6t s THR 113 Cb -0.02 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.93 1p6t s THR 113 CO 0.74 -0.69 -0.06 0.54 -0.54 0.00 0.00 174.62 174.61 1p6t s VAL 114 N -3.28 0.75 -0.57 2.29 0.11 0.30 -0.75 120.40 119.24 1p6t s VAL 114 Ca 0.18 -0.19 -0.23 0.00 -2.93 0.00 0.00 61.98 58.81 1p6t s VAL 114 Cb 0.02 -0.78 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1p6t s VAL 114 CO 0.02 0.30 0.93 -0.89 -3.33 0.00 0.00 175.10 172.13 1p6t s THR 115 N 1.30 4.40 -0.36 5.04 2.01 -0.50 -0.19 115.64 127.35 1p6t s THR 115 Ca -0.04 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.89 1p6t s THR 115 Cb -0.14 -4.56 -0.01 0.00 0.01 0.00 0.00 72.50 67.81 1p6t s THR 115 CO -0.03 -1.18 0.37 0.54 -0.69 0.00 0.00 174.62 173.64 1p6t s VAL 116 N 3.91 5.16 -0.58 3.82 0.11 0.22 -3.05 120.40 129.98 1p6t s VAL 116 Ca 0.28 -0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 1p6t s VAL 116 Cb -0.14 -3.86 0.10 0.00 -1.53 0.00 0.00 36.38 30.95 1p6t s VAL 116 CO 0.17 -0.15 0.70 -1.61 -3.33 0.00 0.00 175.10 170.88 1p6t s GLU 117 N 2.03 3.06 0.24 1.54 2.02 0.15 -0.52 118.70 127.22 1p6t s GLU 117 Ca 0.12 -1.25 -0.07 0.00 0.02 0.00 0.00 54.97 53.79 1p6t s GLU 117 Cb -0.17 -4.24 -0.02 0.00 0.10 0.00 0.00 34.13 29.80 1p6t s GLU 117 CO 0.12 -1.50 0.35 1.52 0.02 0.00 0.00 175.26 175.76 1p6t s TYR 118 N 2.71 0.77 -0.51 1.61 1.13 -0.53 -0.02 117.35 122.52 1p6t s TYR 118 Ca 0.12 -1.06 -0.17 0.00 -1.41 0.00 0.00 57.07 54.55 1p6t s TYR 118 Cb -0.23 -0.14 0.07 0.00 -1.10 0.00 0.00 41.96 40.56 1p6t s TYR 118 CO 0.07 -0.88 0.54 1.21 -2.51 0.00 0.00 175.55 173.98 1p6t s ASN 119 N -3.11 6.19 0.00 -0.18 3.04 0.24 -1.01 114.94 120.11 1p6t s ASN 119 Ca 0.30 -1.20 0.00 0.00 0.04 0.00 0.00 52.86 51.99 1p6t s ASN 119 Cb 0.02 -2.24 0.00 0.00 -1.54 0.00 0.00 41.25 37.49 1p6t s ASN 119 CO 0.12 -0.82 0.51 -0.81 -3.04 0.00 0.00 177.10 173.06 1p6t n PRO 120 N 5.75 0.64 -0.04 0.43 -0.04 -1.26 -1.13 135.00 139.35 1p6t n PRO 120 Ca -0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 1p6t n PRO 120 Cb 0.44 -1.13 -0.13 0.00 -0.04 0.00 0.00 33.50 32.64 1p6t n PRO 120 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1p6t n LYS 121 N -0.23 0.71 -0.02 0.54 -0.00 -1.26 -4.66 118.16 113.25 1p6t n LYS 121 Ca 0.00 0.22 -0.21 0.00 -0.00 0.00 0.00 58.31 58.32 1p6t n LYS 121 Cb 0.06 -1.65 -0.13 0.00 -0.00 0.00 0.00 35.03 33.31 1p6t n LYS 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1p6t h GLU 122 N 0.04 0.18 0.00 -1.58 4.22 -1.50 -3.48 114.58 112.46 1p6t h GLU 122 Ca -0.47 -0.31 -0.15 0.00 0.08 0.00 0.00 59.36 58.51 1p6t h GLU 122 Cb 2.00 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.34 1p6t h GLU 122 CO 0.03 1.15 -0.12 0.00 -2.18 0.00 0.00 179.01 177.89 1p6t n ALA 123 N -3.04 0.13 -3.83 2.92 0.00 -0.94 -4.96 120.51 110.79 1p6t n ALA 123 Ca -0.26 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.55 1p6t n ALA 123 Cb 0.84 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.64 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 -1.67 -0.12 0.31 0.00 1.04 -1.26 -4.29 113.70 107.70 1p6t s SER 124 Ca 0.03 -0.89 0.05 0.00 0.48 0.00 0.00 55.95 55.62 1p6t s SER 124 Cb 0.00 0.79 0.83 0.00 0.10 0.00 0.00 66.02 67.74 1p6t s SER 124 CO 0.02 -1.52 1.63 0.58 0.98 0.00 0.00 173.24 174.93 1p6t h VAL 125 N 2.00 0.25 -0.71 5.02 2.07 -1.99 -0.38 116.25 122.52 1p6t h VAL 125 Ca -0.26 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1p6t h VAL 125 Cb 1.25 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1p6t h VAL 125 CO 0.32 0.03 0.44 0.28 0.02 0.00 0.00 177.57 178.67 1p6t h SER 126 N 0.19 0.84 -0.20 0.57 0.02 -1.98 0.14 113.55 113.12 1p6t h SER 126 Ca 0.61 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.50 1p6t h SER 126 Cb 1.31 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1p6t h SER 126 CO -0.69 0.63 0.07 -0.78 -1.14 0.00 0.00 176.83 174.92 1p6t h ASP 127 N 0.96 0.29 -0.21 3.07 3.58 -1.49 0.58 116.42 123.19 1p6t h ASP 127 Ca 0.26 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1p6t h ASP 127 Cb -0.06 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1p6t h ASP 127 CO -0.05 0.40 0.12 -0.07 -2.88 0.00 0.00 179.24 176.77 1p6t h LEU 128 N 0.15 0.26 -0.10 2.28 3.38 -0.84 0.30 115.31 120.75 1p6t h LEU 128 Ca 0.06 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1p6t h LEU 128 Cb 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1p6t h LEU 128 CO -0.00 0.25 -0.19 0.11 0.09 0.00 0.00 178.44 178.70 1p6t h LYS 129 N 0.25 -0.16 -1.00 1.13 1.79 -0.75 -1.79 116.57 116.04 1p6t h LYS 129 Ca 0.08 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.76 1p6t h LYS 129 Cb 0.05 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.63 1p6t h LYS 129 CO -0.01 -0.11 0.61 0.93 -1.08 0.00 0.00 179.45 179.79 1p6t h GLU 130 N -0.17 0.68 0.60 3.15 5.08 0.15 0.24 114.58 124.31 1p6t h GLU 130 Ca 0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1p6t h GLU 130 Cb 0.22 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1p6t h GLU 130 CO -0.18 0.45 -0.29 0.00 -1.00 0.00 0.00 179.01 177.99 1p6t h ALA 131 N 1.65 -0.81 -0.08 3.43 0.00 -0.23 0.17 119.26 123.39 1p6t h ALA 131 Ca 0.58 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 1p6t h ALA 131 Cb 0.98 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1p6t h ALA 131 CO -0.37 -0.93 -0.58 0.28 0.00 0.00 0.00 179.25 177.66 1p6t h VAL 132 N -0.87 1.37 -0.81 0.00 2.07 -0.27 -0.04 116.25 117.69 1p6t h VAL 132 Ca -0.08 -1.91 0.05 0.00 0.82 0.00 0.00 66.70 65.58 1p6t h VAL 132 Cb 0.64 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1p6t h VAL 132 CO 0.14 0.57 0.50 0.44 0.02 0.00 0.00 177.57 179.24 1p6t h ASP 133 N 0.20 0.79 -0.10 0.57 3.32 -0.57 0.12 116.42 120.76 1p6t h ASP 133 Ca -0.00 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1p6t h ASP 133 Cb 1.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1p6t h ASP 133 CO 0.09 0.52 -0.02 0.11 -1.72 0.00 0.00 179.24 178.22 1p6t h LYS 134 N 0.93 0.01 -0.70 3.56 6.56 0.37 -1.98 116.57 125.32 1p6t h LYS 134 Ca 0.35 -0.00 0.16 0.00 -1.06 0.00 0.00 60.65 60.09 1p6t h LYS 134 Cb 0.13 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 1p6t h LYS 134 CO -0.16 0.01 0.48 -0.07 -2.06 0.00 0.00 179.45 177.65 1p6t h LEU 135 N 0.01 0.27 -0.07 2.94 -0.00 -0.20 -3.46 115.31 114.81 1p6t h LEU 135 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1p6t h LEU 135 Cb 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1p6t h LEU 135 CO -0.09 0.14 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 1p6t n GLY 136 N -1.56 0.85 0.67 0.83 0.00 -0.05 -5.10 105.19 100.84 1p6t n GLY 136 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.10 0.06 -4.18 1.61 4.01 -0.78 -5.03 117.16 112.75 1p6t n TYR 137 Ca 0.00 -0.51 -0.23 0.00 -0.16 0.00 0.00 57.90 57.00 1p6t n TYR 137 Cb 0.03 -0.01 -0.17 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.32 1.15 0.01 -0.72 -2.85 -1.26 -3.87 119.74 109.89 1p6t s LYS 138 Ca 0.03 -0.19 -0.01 0.00 -1.00 0.00 0.00 55.97 54.81 1p6t s LYS 138 Cb 0.00 -1.14 -0.04 0.00 -2.06 0.00 0.00 37.83 34.60 1p6t s LYS 138 CO 0.02 -0.11 0.13 -1.17 0.10 0.00 0.00 175.35 174.32 1p6t s LEU 139 N 1.11 4.09 0.30 2.77 2.96 -1.26 -1.51 118.68 127.15 1p6t s LEU 139 Ca -0.07 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1p6t s LEU 139 Cb -0.14 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1p6t s LEU 139 CO -0.01 0.24 0.20 -0.54 -1.32 0.00 0.00 176.35 174.92 1p6t s LYS 140 N -1.99 1.61 0.03 1.98 -0.14 0.10 -4.95 119.74 116.39 1p6t s LYS 140 Ca 0.27 -1.92 0.05 0.00 -1.36 0.00 0.00 55.97 53.01 1p6t s LYS 140 Cb -0.12 0.09 -0.02 0.00 -1.68 0.00 0.00 37.83 36.09 1p6t s LYS 140 CO 0.18 -0.52 -0.14 -0.51 -0.76 0.00 0.00 175.35 173.60 1p6t s LEU 141 N -3.35 2.15 -1.12 3.17 1.02 -1.26 -0.55 118.68 118.74 1p6t s LEU 141 Ca 0.37 -0.44 -0.21 0.00 0.02 0.00 0.00 54.13 53.87 1p6t s LEU 141 Cb 0.04 -0.63 0.05 0.00 0.02 0.00 0.00 46.19 45.67 1p6t s LEU 141 CO 0.20 0.06 1.57 -0.54 0.02 0.00 0.00 176.35 177.66 1p6t s LYS 142 N -1.05 3.69 0.00 1.70 1.02 -0.78 -4.56 119.74 119.77 1p6t s LYS 142 Ca 0.02 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1p6t s LYS 142 Cb -0.08 -5.42 0.00 0.00 -0.52 0.00 0.00 37.83 31.82 1p6t s LYS 142 CO 0.01 -2.28 0.00 0.41 -0.92 0.00 0.00 175.35 172.57 1p6t n GLY 143 N 6.35 1.65 2.40 -3.33 0.00 -1.26 -4.59 105.19 106.41 1p6t n GLY 143 Ca 0.39 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.51 0.00 1.61 2.13 -1.26 -4.43 120.64 117.18 1p6t n GLU 144 Ca 0.00 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1p6t n GLU 144 Cb 0.00 -5.51 0.00 0.00 0.27 0.00 0.00 31.44 26.20 1p6t n GLU 144 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1p6t n GLN 145 N -2.79 0.00 -2.81 5.31 -0.06 -1.26 -5.02 117.38 110.75 1p6t n GLN 145 Ca -0.22 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.56 1p6t n GLN 145 Cb 0.67 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.87 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1p6t n ASP 146 N -1.99 -6.00 -1.42 1.69 2.03 -1.26 -4.80 116.55 104.79 1p6t n ASP 146 Ca 0.00 -0.19 -0.05 0.00 0.52 0.00 0.00 54.79 55.07 1p6t n ASP 146 Cb 0.00 -4.90 -0.02 0.00 -0.72 0.00 0.00 41.12 35.48 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1p6t n SER 147 N -2.34 -0.95 0.00 1.67 7.64 -1.26 -5.05 113.62 113.32 1p6t n SER 147 Ca -0.16 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1p6t n SER 147 Cb 0.64 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 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 -0.32 0.00 -2.88 0.44 5.41 -1.26 -4.67 119.36 116.08 1p6t n ILE 148 Ca -0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.52 1p6t n ILE 148 Cb 0.77 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.70 1p6t n ILE 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1p6t n GLU 149 N 0.00 0.00 0.00 0.38 2.13 -1.26 -4.86 120.64 117.03 1p6t n GLU 149 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1p6t n GLU 149 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 150 N 0.00 0.98 0.00 8.31 0.00 -1.26 -4.97 105.19 108.25 1p6t n GLY 150 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19