#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 -2.89 3.17 7.94 -1.26 -3.63 117.00 120.32 1p6t n LEU 2 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1p6t n LEU 2 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 1p6t n LEU 2 CO 0.00 0.00 0.14 -1.20 -1.11 0.00 0.00 177.39 175.22 1p6t n SER 3 N 1.18 -1.22 -1.96 1.96 7.64 -1.26 -4.95 113.62 115.02 1p6t n SER 3 Ca 0.00 -3.46 -0.04 0.00 1.01 0.00 0.00 58.87 56.39 1p6t n SER 3 Cb 0.00 1.02 0.05 0.00 -1.01 0.00 0.00 64.21 64.27 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1p6t n GLU 4 N 0.34 0.78 -1.49 1.43 2.13 -1.24 -5.11 120.64 117.49 1p6t n GLU 4 Ca 0.13 -1.05 0.00 0.00 0.66 0.00 0.00 57.16 56.90 1p6t n GLU 4 Cb 0.68 0.44 0.00 0.00 0.27 0.00 0.00 31.44 32.83 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1p6t n GLN 5 N -0.89 -3.96 -4.65 5.31 3.00 -1.26 -4.88 117.38 110.05 1p6t n GLN 5 Ca -0.20 3.05 -0.28 0.00 -0.01 0.00 0.00 57.00 59.57 1p6t n GLN 5 Cb 0.78 -3.75 -0.14 0.00 0.00 0.00 0.00 30.24 27.13 1p6t n GLN 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1p6t s LYS 6 N -5.09 1.51 -0.02 -1.09 -2.85 -0.30 -4.76 119.74 107.14 1p6t s LYS 6 Ca 0.00 -1.10 -0.26 0.00 -1.00 0.00 0.00 55.97 53.62 1p6t s LYS 6 Cb 0.00 -1.73 -0.04 0.00 -2.06 0.00 0.00 37.83 34.00 1p6t s LYS 6 CO 0.00 0.43 0.79 -1.83 0.10 0.00 0.00 175.35 174.84 1p6t s GLU 7 N -1.44 4.49 -0.22 1.78 1.03 -1.26 -2.50 118.70 120.57 1p6t s GLU 7 Ca 0.10 1.07 0.01 0.00 0.03 0.00 0.00 54.97 56.18 1p6t s GLU 7 Cb -0.10 -3.43 0.05 0.00 -0.80 0.00 0.00 34.13 29.86 1p6t s GLU 7 CO 0.03 0.09 -0.09 -1.50 -1.33 0.00 0.00 175.26 172.46 1p6t s ILE 8 N 0.64 1.71 -0.24 1.83 2.07 0.11 -4.99 121.20 122.32 1p6t s ILE 8 Ca 0.42 -1.22 -0.09 0.00 -1.41 0.00 0.00 60.65 58.35 1p6t s ILE 8 Cb -0.19 -1.86 -0.04 0.00 0.13 0.00 0.00 42.46 40.49 1p6t s ILE 8 CO 0.22 0.03 0.13 0.00 -1.91 0.00 0.00 174.94 173.41 1p6t s ALA 9 N 1.34 3.46 0.30 1.50 0.00 -1.26 -1.08 121.76 126.02 1p6t s ALA 9 Ca -0.05 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1p6t s ALA 9 Cb -0.18 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1p6t s ALA 9 CO -0.07 -0.28 0.49 -1.64 0.00 0.00 0.00 175.76 174.26 1p6t s MET 10 N 1.22 1.75 -0.08 0.00 1.00 0.37 -3.65 119.30 119.92 1p6t s MET 10 Ca 0.06 -1.51 -0.00 0.00 0.00 0.00 0.00 55.69 54.24 1p6t s MET 10 Cb -0.14 0.46 -0.03 0.00 0.00 0.00 0.00 34.83 35.12 1p6t s MET 10 CO 0.05 -0.73 -0.05 -1.14 0.00 0.00 0.00 175.02 173.14 1p6t s GLN 11 N -3.44 2.87 -0.08 2.03 0.74 -1.26 -0.04 119.66 120.49 1p6t s GLN 11 Ca 0.26 -0.52 -0.07 0.00 0.05 0.00 0.00 55.36 55.08 1p6t s GLN 11 Cb -0.01 -2.65 0.02 0.00 1.10 0.00 0.00 33.01 31.47 1p6t s GLN 11 CO 0.14 0.63 0.20 0.54 -0.55 0.00 0.00 175.29 176.26 1p6t s VAL 12 N -0.71 -0.00 0.80 1.34 0.11 -1.26 -0.94 120.40 119.73 1p6t s VAL 12 Ca 0.11 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1p6t s VAL 12 Cb -0.11 -0.29 0.14 0.00 -1.53 0.00 0.00 36.38 34.59 1p6t s VAL 12 CO 0.02 0.00 1.12 -0.44 -3.33 0.00 0.00 175.10 172.47 1p6t s SER 13 N 0.16 4.00 -0.26 3.54 0.01 0.16 -4.47 113.70 116.84 1p6t s SER 13 Ca -0.00 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1p6t s SER 13 Cb -0.02 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1p6t s SER 13 CO -0.00 -2.12 0.00 0.61 0.41 0.00 0.00 173.24 172.14 1p6t n GLY 14 N -3.19 0.53 2.67 3.44 0.00 -1.26 -4.45 105.19 102.92 1p6t n GLY 14 Ca 0.14 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.92 2.81 -0.33 1.61 2.00 -1.26 -4.76 117.12 115.27 1p6t n MET 15 Ca -0.02 -2.29 0.22 0.00 0.00 0.00 0.00 57.70 55.60 1p6t n MET 15 Cb 0.21 -3.04 0.49 0.00 0.00 0.00 0.00 33.22 30.87 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 3.77 0.51 0.00 2.03 2.02 -1.96 -3.44 112.91 115.83 1p6t h THR 16 Ca 0.62 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1p6t h THR 16 Cb 0.51 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1p6t h THR 16 CO 1.84 0.08 0.00 0.00 0.37 0.00 0.00 175.52 177.81 1p6t n ALA 18 N 0.00 0.00 -0.15 0.00 0.00 -1.26 -4.70 120.51 114.39 1p6t n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.43 0.00 -0.15 0.00 0.00 -1.26 -3.01 120.51 116.52 1p6t n ALA 19 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1p6t n ALA 19 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.13 -0.39 -0.93 0.00 0.00 -1.84 -2.65 119.26 113.32 1p6t h ALA 21 Ca 0.07 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1p6t h ALA 21 Cb 0.52 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1p6t h ALA 21 CO -0.56 -0.74 0.55 0.00 0.00 0.00 0.00 179.25 178.49 1p6t h ALA 22 N 0.34 1.42 -0.38 0.00 0.00 -1.69 0.11 119.26 119.06 1p6t h ALA 22 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 22 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1p6t h ALA 22 CO -0.05 0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.47 1p6t h ARG 23 N 0.81 0.53 0.65 0.00 2.47 -0.28 0.11 114.38 118.67 1p6t h ARG 23 Ca 0.49 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.12 1p6t h ARG 23 Cb 0.60 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1p6t h ARG 23 CO -0.31 0.43 -0.31 0.82 0.56 0.00 0.00 179.97 181.15 1p6t h ILE 24 N 0.49 0.31 -0.77 2.04 2.04 -0.76 0.10 117.51 120.97 1p6t h ILE 24 Ca 0.13 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1p6t h ILE 24 Cb 0.05 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1p6t h ILE 24 CO -0.02 0.02 0.44 -0.33 0.00 0.00 0.00 178.15 178.25 1p6t h GLU 25 N -0.98 0.74 -0.01 2.37 4.39 -0.92 0.24 114.58 120.42 1p6t h GLU 25 Ca -0.09 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1p6t h GLU 25 Cb 0.70 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1p6t h GLU 25 CO 0.15 0.49 0.00 -0.22 -1.16 0.00 0.00 179.01 178.27 1p6t h LYS 26 N 0.76 0.01 -1.00 2.33 3.64 -0.72 0.16 116.57 121.75 1p6t h LYS 26 Ca 0.36 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 1p6t h LYS 26 Cb 0.28 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 1p6t h LYS 26 CO -0.22 0.04 0.65 0.78 -2.27 0.00 0.00 179.45 178.43 1p6t h GLY 27 N -0.03 1.52 1.20 5.01 0.00 0.67 -2.17 103.07 109.27 1p6t h GLY 27 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 1p6t h GLY 27 CO -0.00 0.35 -0.58 1.41 0.00 0.00 0.00 176.54 177.72 1p6t h LEU 28 N 1.20 0.93 -2.28 3.11 -0.00 -0.37 -3.01 115.31 114.89 1p6t h LEU 28 Ca 0.43 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1p6t h LEU 28 Cb 0.14 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1p6t h LEU 28 CO -0.16 1.31 0.24 0.50 -0.00 0.00 0.00 178.44 180.32 1p6t h LYS 29 N 0.63 0.00 -0.02 1.13 1.63 -0.02 0.35 116.57 120.26 1p6t h LYS 29 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1p6t h LYS 29 Cb 1.19 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1p6t h LYS 29 CO 0.13 0.00 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.02 1p6t h ARG 30 N 0.00 0.03 -6.97 1.90 9.65 -1.37 -3.44 114.38 114.18 1p6t h ARG 30 Ca 0.00 -0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.37 1p6t h ARG 30 Cb 0.48 -0.01 0.06 0.00 -1.39 0.00 0.00 29.97 29.11 1p6t h ARG 30 CO -0.00 0.05 0.49 -1.64 2.80 0.00 0.00 179.97 181.67 1p6t s MET 31 N -5.03 3.94 0.10 0.20 -1.94 0.11 -4.97 119.30 111.72 1p6t s MET 31 Ca -0.05 1.80 -0.15 0.00 -1.71 0.00 0.00 55.69 55.59 1p6t s MET 31 Cb 0.17 -2.56 -0.07 0.00 2.01 0.00 0.00 34.83 34.37 1p6t s MET 31 CO 0.68 -0.41 1.45 -1.00 -0.01 0.00 0.00 175.02 175.73 1p6t h PRO 32 N 2.39 0.69 0.00 2.03 0.13 -1.88 -3.14 132.00 132.23 1p6t h PRO 32 Ca -0.49 -0.33 -0.06 0.00 -0.87 0.00 0.00 66.00 64.25 1p6t h PRO 32 Cb 1.24 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1p6t h PRO 32 CO 0.62 0.94 -0.28 0.78 -0.23 0.00 0.00 178.00 179.82 1p6t h GLY 33 N 0.45 0.00 -7.11 1.56 0.00 -1.89 -3.42 103.07 92.66 1p6t h GLY 33 Ca 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.84 1p6t h GLY 33 CO 0.06 0.00 1.45 0.14 0.00 0.00 0.00 176.54 178.18 1p6t s VAL 34 N -4.18 3.17 -0.09 4.60 1.01 -1.19 -0.90 120.40 122.82 1p6t s VAL 34 Ca -0.03 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1p6t s VAL 34 Cb 0.14 -3.27 -0.28 0.00 0.00 0.00 0.00 36.38 32.96 1p6t s VAL 34 CO 0.68 -0.20 0.70 0.74 0.00 0.00 0.00 175.10 177.02 1p6t h THR 35 N 7.14 1.33 -3.76 3.92 2.02 -1.03 -3.47 112.91 119.06 1p6t h THR 35 Ca -0.34 -2.43 -0.08 0.00 0.77 0.00 0.00 66.41 64.32 1p6t h THR 35 Cb 1.22 2.98 -0.12 0.00 -1.74 0.00 0.00 68.15 70.48 1p6t h THR 35 CO 1.04 0.66 -0.25 -0.62 0.37 0.00 0.00 175.52 176.73 1p6t s ASP 36 N -6.87 -0.02 -0.22 4.18 2.15 -0.06 -5.03 116.67 110.80 1p6t s ASP 36 Ca -0.18 -0.78 -0.03 0.00 0.43 0.00 0.00 52.55 51.99 1p6t s ASP 36 Cb 0.02 0.46 0.11 0.00 -0.30 0.00 0.00 42.92 43.21 1p6t s ASP 36 CO 0.77 -0.92 0.30 0.00 -0.17 0.00 0.00 175.17 175.15 1p6t s ALA 37 N -3.94 -0.68 0.22 3.66 0.00 -1.26 -0.49 121.76 119.26 1p6t s ALA 37 Ca 0.15 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1p6t s ALA 37 Cb 0.02 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1p6t s ALA 37 CO -0.01 -1.20 -0.10 -0.80 0.00 0.00 0.00 175.76 173.64 1p6t s ASN 38 N 2.44 2.44 -0.27 0.00 0.02 0.24 -4.88 114.94 114.93 1p6t s ASN 38 Ca 0.09 -1.08 -0.02 0.00 -1.02 0.00 0.00 52.86 50.83 1p6t s ASN 38 Cb -0.15 -0.11 0.16 0.00 0.02 0.00 0.00 41.25 41.16 1p6t s ASN 38 CO -0.14 -0.27 0.49 0.54 0.02 0.00 0.00 177.10 177.74 1p6t s VAL 39 N -3.08 -0.80 -1.34 1.60 0.11 -1.26 -0.42 120.40 115.21 1p6t s VAL 39 Ca 0.24 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 1p6t s VAL 39 Cb 0.01 -0.90 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1p6t s VAL 39 CO 0.07 -0.05 1.88 0.59 -3.33 0.00 0.00 175.10 174.26 1p6t n ASN 40 N 5.40 4.63 0.03 3.54 4.13 0.10 -4.72 115.26 128.38 1p6t n ASN 40 Ca -0.03 -2.92 0.22 0.00 1.68 0.00 0.00 54.58 53.53 1p6t n ASN 40 Cb 0.50 -1.68 0.70 0.00 -1.54 0.00 0.00 39.78 37.77 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 11.03 0.00 -1.41 3.41 8.10 -1.94 0.21 115.31 134.70 1p6t h LEU 41 Ca 0.47 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.41 1p6t h LEU 41 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 1p6t h LEU 41 CO 1.59 0.00 -0.14 0.00 -4.11 0.00 0.00 178.44 175.78 1p6t h ALA 42 N 1.36 1.52 0.00 0.17 0.00 -1.94 -3.06 119.26 117.31 1p6t h ALA 42 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 42 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1p6t h ALA 42 CO -0.00 0.34 -0.06 0.25 0.00 0.00 0.00 179.25 179.78 1p6t n THR 43 N -4.27 1.11 -3.76 0.00 -2.24 -0.27 -5.03 114.28 99.82 1p6t n THR 43 Ca -0.01 -1.26 -0.24 0.00 -2.27 0.00 0.00 64.05 60.27 1p6t n THR 43 Cb 0.27 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.75 -1.46 -3.76 -0.78 1.02 0.56 -5.01 120.64 110.47 1p6t n GLU 44 Ca 0.06 0.69 -0.24 0.00 -0.02 0.00 0.00 57.16 57.66 1p6t n GLU 44 Cb 0.49 -2.12 -0.17 0.00 -0.02 0.00 0.00 31.44 29.62 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 -2.96 0.40 0.17 2.62 2.01 -0.59 -4.45 115.64 112.83 1p6t s THR 45 Ca 0.01 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 1p6t s THR 45 Cb -0.01 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.76 1p6t s THR 45 CO 0.86 0.13 0.83 0.54 -0.69 0.00 0.00 174.62 176.29 1p6t s VAL 46 N 1.95 4.34 -0.14 3.82 0.11 0.95 0.02 120.40 131.45 1p6t s VAL 46 Ca 0.03 1.83 -0.02 0.00 -2.93 0.00 0.00 61.98 60.90 1p6t s VAL 46 Cb -0.14 -4.20 0.04 0.00 -1.53 0.00 0.00 36.38 30.55 1p6t s VAL 46 CO -0.06 0.48 -0.00 0.21 -3.33 0.00 0.00 175.10 172.40 1p6t s ASN 47 N -0.93 2.35 -0.09 3.54 2.47 0.44 -0.48 114.94 122.24 1p6t s ASN 47 Ca 0.38 -0.48 0.02 0.00 0.42 0.00 0.00 52.86 53.21 1p6t s ASN 47 Cb -0.24 -0.62 -0.02 0.00 -1.45 0.00 0.00 41.25 38.93 1p6t s ASN 47 CO 0.28 -0.23 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.58 1p6t s VAL 48 N 1.85 2.87 -0.25 -5.21 1.01 -0.24 -0.60 120.40 119.83 1p6t s VAL 48 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1p6t s VAL 48 Cb -0.15 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1p6t s VAL 48 CO -0.07 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 174.84 1p6t s ILE 49 N -0.11 2.21 0.17 2.22 1.01 0.35 -0.71 121.20 126.33 1p6t s ILE 49 Ca -0.02 -1.53 -0.09 0.00 0.00 0.00 0.00 60.65 59.01 1p6t s ILE 49 Cb -0.14 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1p6t s ILE 49 CO 0.04 0.04 0.29 -0.72 0.00 0.00 0.00 174.94 174.59 1p6t s TYR 50 N 1.13 0.39 -0.14 3.97 -0.85 -1.04 -0.49 117.35 120.32 1p6t s TYR 50 Ca -0.07 -0.75 -0.24 0.00 -0.52 0.00 0.00 57.07 55.49 1p6t s TYR 50 Cb -0.19 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 1p6t s TYR 50 CO -0.06 -0.73 0.76 0.34 -1.52 0.00 0.00 175.55 174.34 1p6t s ASP 51 N -2.97 6.91 0.00 -0.18 -1.08 -0.07 -1.14 116.67 118.14 1p6t s ASP 51 Ca 0.17 1.11 -0.02 0.00 -0.52 0.00 0.00 52.55 53.30 1p6t s ASP 51 Cb 0.03 -2.42 -0.08 0.00 -1.46 0.00 0.00 42.92 38.99 1p6t s ASP 51 CO 0.00 -0.29 2.22 -0.81 0.52 0.00 0.00 175.17 176.80 1p6t n PRO 52 N 4.77 1.15 0.00 4.34 -0.04 -1.26 -3.08 135.00 140.89 1p6t n PRO 52 Ca 0.02 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1p6t n PRO 52 Cb 0.50 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.90 0.02 -0.01 0.55 0.00 -1.26 -4.91 120.51 116.80 1p6t n ALA 53 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 1p6t n ALA 53 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.17 0.00 0.00 1.02 -1.18 -5.04 120.64 115.61 1p6t n GLU 54 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1p6t n GLU 54 Cb 0.26 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.51 0.00 0.00 2.62 -1.04 -1.25 -4.87 114.28 107.22 1p6t n THR 55 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1p6t n THR 55 Cb 0.52 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 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 4.11 2.81 0.24 3.41 0.00 -1.26 -4.62 105.19 109.87 1p6t n GLY 56 Ca 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 1.27 -0.29 -0.26 2.61 5.66 -1.26 0.23 114.28 122.24 1p6t n THR 57 Ca 0.00 1.52 -0.04 0.00 -3.05 0.00 0.00 64.05 62.48 1p6t n THR 57 Cb 0.00 -2.22 0.08 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 1.38 0.93 -0.18 1.79 0.00 -1.90 0.67 119.26 121.94 1p6t h ALA 58 Ca 0.42 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 1p6t h ALA 58 Cb 0.88 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1p6t h ALA 58 CO -0.65 0.25 -0.54 0.00 0.00 0.00 0.00 179.25 178.32 1p6t h ALA 59 N 1.30 0.73 0.31 0.00 0.00 -0.47 0.39 119.26 121.51 1p6t h ALA 59 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1p6t h ALA 59 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1p6t h ALA 59 CO -0.10 0.69 -0.40 0.82 0.00 0.00 0.00 179.25 180.25 1p6t h ILE 60 N 0.41 0.18 -0.73 0.00 1.08 -0.29 0.12 117.51 118.28 1p6t h ILE 60 Ca 0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1p6t h ILE 60 Cb 1.07 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1p6t h ILE 60 CO 0.10 0.00 0.45 0.06 -0.69 0.00 0.00 178.15 178.07 1p6t h GLN 61 N -0.76 0.99 -0.92 2.37 3.07 -0.86 -1.14 115.11 117.86 1p6t h GLN 61 Ca -0.02 -0.08 0.08 0.00 0.09 0.00 0.00 58.65 58.72 1p6t h GLN 61 Cb 0.71 -0.21 -0.06 0.00 0.08 0.00 0.00 27.48 28.00 1p6t h GLN 61 CO -0.12 0.69 0.60 1.49 0.09 0.00 0.00 178.83 181.57 1p6t h GLU 62 N 1.00 0.97 -0.35 0.06 4.81 -0.52 0.43 114.58 120.99 1p6t h GLU 62 Ca 0.26 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 1p6t h GLU 62 Cb -0.05 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 1p6t h GLU 62 CO -0.05 0.64 -0.38 -0.22 -0.73 0.00 0.00 179.01 178.28 1p6t h LYS 63 N 1.00 0.87 -0.37 1.92 1.63 0.40 0.17 116.57 122.19 1p6t h LYS 63 Ca 0.41 -0.47 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 1p6t h LYS 63 Cb 0.28 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 1p6t h LYS 63 CO -0.17 1.11 -0.06 0.82 -3.45 0.00 0.00 179.45 177.71 1p6t h ILE 64 N 0.67 0.66 0.30 2.00 2.04 -0.27 0.20 117.51 123.11 1p6t h ILE 64 Ca 0.05 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1p6t h ILE 64 Cb 0.97 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1p6t h ILE 64 CO 0.09 0.01 -0.15 -0.33 0.00 0.00 0.00 178.15 177.77 1p6t h GLU 65 N 0.03 -0.39 -0.35 2.37 5.08 -0.64 -2.55 114.58 118.13 1p6t h GLU 65 Ca 0.18 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1p6t h GLU 65 Cb 0.27 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1p6t h GLU 65 CO -0.36 -0.24 0.24 0.87 -1.00 0.00 0.00 179.01 178.52 1p6t h LYS 66 N -0.44 0.26 0.00 2.33 1.57 -0.45 0.14 116.57 119.99 1p6t h LYS 66 Ca -0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1p6t h LYS 66 Cb 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1p6t h LYS 66 CO 0.07 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.40 1p6t n LEU 67 N -4.48 0.30 -0.03 2.94 7.99 0.68 -4.84 117.00 119.55 1p6t n LEU 67 Ca 0.04 0.60 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 1p6t n LEU 67 Cb 0.23 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1p6t n LEU 67 CO 0.35 -0.57 0.00 0.61 -1.51 0.00 0.00 177.39 176.27 1p6t n GLY 68 N -0.74 0.91 3.39 -0.72 0.00 0.48 -5.03 105.19 103.48 1p6t n GLY 68 Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 1.75 -0.01 1.61 1.51 -1.15 -5.05 117.35 114.13 1p6t s TYR 69 Ca 0.00 -1.49 0.01 0.00 -1.01 0.00 0.00 57.07 54.58 1p6t s TYR 69 Cb 0.00 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1p6t s TYR 69 CO 0.00 -0.60 -0.02 -1.01 -1.11 0.00 0.00 175.55 172.81 1p6t s HIS 70 N -3.35 0.22 0.04 2.71 3.76 -1.26 -4.26 115.29 113.15 1p6t s HIS 70 Ca 0.32 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.94 1p6t s HIS 70 Cb 0.02 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 1p6t s HIS 70 CO 0.21 -0.02 0.81 0.14 -0.85 0.00 0.00 174.74 175.02 1p6t s VAL 71 N 0.10 4.72 -1.45 -0.90 -7.23 -1.26 -0.66 120.40 113.73 1p6t s VAL 71 Ca -0.01 1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 61.79 1p6t s VAL 71 Cb -0.03 -4.15 0.04 0.00 0.56 0.00 0.00 36.38 32.80 1p6t s VAL 71 CO -0.00 0.34 2.49 0.52 -0.31 0.00 0.00 175.10 178.14 1p6t n VAL 72 N 2.94 4.49 -4.22 1.32 0.31 -0.12 -4.86 118.33 118.18 1p6t n VAL 72 Ca -0.01 -3.49 -0.18 0.00 -0.01 0.00 0.00 64.34 60.64 1p6t n VAL 72 Cb 0.50 -2.40 -0.11 0.00 -0.91 0.00 0.00 33.84 30.92 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 0.98 1.27 0.10 2.52 2.01 -1.26 -4.53 115.64 116.72 1p6t s THR 73 Ca 0.56 -1.58 0.05 0.00 0.31 0.00 0.00 61.69 61.04 1p6t s THR 73 Cb 0.16 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1p6t s THR 73 CO -0.07 -0.34 -0.14 -1.61 -0.69 0.00 0.00 174.62 171.78 1p6t s GLU 74 N -2.34 0.91 -1.09 4.92 0.41 -1.20 -4.96 118.70 115.36 1p6t s GLU 74 Ca 0.05 -1.10 -0.13 0.00 -0.41 0.00 0.00 54.97 53.38 1p6t s GLU 74 Cb -0.07 -0.83 0.21 0.00 -1.78 0.00 0.00 34.13 31.67 1p6t s GLU 74 CO 0.03 0.17 1.19 -1.59 -0.49 0.00 0.00 175.26 174.56 1p6t s LYS 75 N -2.27 4.02 0.59 1.61 -2.85 -1.26 -2.08 119.74 117.50 1p6t s LYS 75 Ca 0.04 -2.73 -0.08 0.00 -1.00 0.00 0.00 55.97 52.20 1p6t s LYS 75 Cb -0.07 -4.77 -0.02 0.00 -2.06 0.00 0.00 37.83 30.92 1p6t s LYS 75 CO 0.02 -1.50 0.95 0.00 0.10 0.00 0.00 175.35 174.92 1p6t s ALA 76 N 0.41 3.19 -0.03 0.59 0.00 0.10 -4.86 121.76 121.15 1p6t s ALA 76 Ca 0.34 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1p6t s ALA 76 Cb -0.07 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1p6t s ALA 76 CO -0.05 -0.72 0.03 -1.21 0.00 0.00 0.00 175.76 173.81 1p6t s GLU 77 N -5.06 0.08 -0.06 0.00 2.02 -1.26 -0.34 118.70 114.09 1p6t s GLU 77 Ca 0.53 0.23 0.05 0.00 0.02 0.00 0.00 54.97 55.80 1p6t s GLU 77 Cb -0.11 -0.47 -0.02 0.00 0.10 0.00 0.00 34.13 33.63 1p6t s GLU 77 CO 0.49 -0.24 -0.19 -0.06 0.02 0.00 0.00 175.26 175.28 1p6t s PHE 78 N 1.58 2.58 0.47 1.61 0.40 0.35 -2.65 117.98 122.31 1p6t s PHE 78 Ca -0.02 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 1p6t s PHE 78 Cb -0.13 -1.63 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 1p6t s PHE 78 CO -0.03 -0.03 0.86 0.34 0.70 0.00 0.00 175.22 177.06 1p6t s ASP 79 N -0.39 6.48 -0.25 1.36 2.15 0.97 -0.18 116.67 126.81 1p6t s ASP 79 Ca 0.04 1.25 0.01 0.00 0.43 0.00 0.00 52.55 54.28 1p6t s ASP 79 Cb -0.12 -2.38 0.07 0.00 -0.30 0.00 0.00 42.92 40.19 1p6t s ASP 79 CO 0.02 -0.52 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.84 1p6t s ILE 80 N -2.58 1.48 -1.27 4.11 1.01 -0.25 0.04 121.20 123.76 1p6t s ILE 80 Ca 0.53 -1.30 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1p6t s ILE 80 Cb -0.10 -1.82 0.16 0.00 0.01 0.00 0.00 42.46 40.71 1p6t s ILE 80 CO 0.36 -0.20 2.17 1.21 0.00 0.00 0.00 174.94 178.48 1p6t n GLU 81 N 4.67 4.51 0.00 2.79 0.00 -0.06 -3.56 120.64 128.98 1p6t n GLU 81 Ca -0.10 -3.68 0.00 0.00 0.00 0.00 0.00 57.16 53.38 1p6t n GLU 81 Cb 0.44 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 29.21 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p6t n GLY 82 N 1.70 0.00 1.96 8.31 0.00 -1.26 -3.96 105.19 111.93 1p6t n GLY 82 Ca 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 1p6t n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 83 N -0.14 -3.13 -2.85 1.61 0.00 -1.23 -3.97 117.12 107.41 1p6t n MET 83 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 57.70 56.60 1p6t n MET 83 Cb 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 -4.36 -0.76 -0.07 1.12 5.66 -1.26 -4.84 114.28 109.78 1p6t n THR 84 Ca 0.09 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.94 1p6t n THR 84 Cb 0.35 -1.71 -0.05 0.00 -1.55 0.00 0.00 70.33 67.38 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 -3.53 1.52 -2.74 0.00 0.00 -1.26 -5.02 120.51 109.48 1p6t n ALA 86 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1p6t n ALA 86 Cb 0.70 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.24 1p6t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 87 N -1.47 2.72 -0.07 0.00 0.00 -1.26 -4.99 120.51 115.43 1p6t n ALA 87 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 53.44 51.46 1p6t n ALA 87 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 0.64 0.34 -0.63 0.00 0.00 -1.94 0.24 119.26 117.91 1p6t h ALA 89 Ca 0.03 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1p6t h ALA 89 Cb 0.84 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1p6t h ALA 89 CO 0.07 -0.44 0.41 -0.91 0.00 0.00 0.00 179.25 178.38 1p6t h ASN 90 N 0.01 0.69 -0.11 0.00 4.21 -1.60 0.34 115.58 119.11 1p6t h ASN 90 Ca 0.24 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1p6t h ASN 90 Cb 0.37 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1p6t h ASN 90 CO -0.52 0.49 0.06 0.03 -1.29 0.00 0.00 177.43 176.20 1p6t h ARG 91 N 0.82 0.16 0.00 0.81 3.08 -0.06 -3.06 114.38 116.13 1p6t h ARG 91 Ca 0.24 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 1p6t h ARG 91 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1p6t h ARG 91 CO -0.07 0.19 -0.31 -0.84 -1.07 0.00 0.00 179.97 177.87 1p6t h ILE 92 N 0.08 0.90 0.14 2.04 3.07 0.17 -2.71 117.51 121.21 1p6t h ILE 92 Ca 0.04 -1.22 -0.00 0.00 1.55 0.00 0.00 64.86 65.23 1p6t h ILE 92 Cb 0.08 1.73 -0.02 0.00 -0.27 0.00 0.00 36.82 38.34 1p6t h ILE 92 CO -0.01 0.31 -0.24 -0.08 -1.05 0.00 0.00 178.15 177.08 1p6t h GLU 93 N 0.00 -0.39 -0.52 0.16 4.22 -0.26 0.21 114.58 117.99 1p6t h GLU 93 Ca -0.00 0.03 0.12 0.00 0.08 0.00 0.00 59.36 59.59 1p6t h GLU 93 Cb 0.70 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1p6t h GLU 93 CO 0.04 -0.26 0.36 0.87 -2.18 0.00 0.00 179.01 177.84 1p6t h LYS 94 N -0.41 0.15 0.01 1.92 1.79 -1.43 0.32 116.57 118.91 1p6t h LYS 94 Ca -0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1p6t h LYS 94 Cb 0.38 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1p6t h LYS 94 CO -0.08 0.10 -0.00 0.00 -1.08 0.00 0.00 179.45 178.38 1p6t h ARG 95 N 0.15 -0.01 -0.80 3.15 2.47 -1.15 -3.36 114.38 114.83 1p6t h ARG 95 Ca 0.25 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 59.20 1p6t h ARG 95 Cb 0.77 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 1p6t h ARG 95 CO -0.03 -0.01 0.58 -0.07 0.56 0.00 0.00 179.97 180.99 1p6t h LEU 96 N -0.02 0.02 -0.60 3.04 3.38 -0.26 -1.53 115.31 119.34 1p6t h LEU 96 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1p6t h LEU 96 Cb 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1p6t h LEU 96 CO 0.00 0.01 -0.02 -3.20 0.09 0.00 0.00 178.44 175.32 1p6t n ASN 97 N -4.31 -0.10 -2.97 -0.43 2.85 0.11 -3.37 115.26 107.05 1p6t n ASN 97 Ca 0.16 1.02 -0.03 0.00 -0.11 0.00 0.00 54.58 55.63 1p6t n ASN 97 Cb 0.86 -0.36 -0.00 0.00 1.24 0.00 0.00 39.78 41.51 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 -5.53 0.96 0.00 1.20 0.00 -0.59 -4.39 119.74 111.39 1p6t s LYS 98 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.11 1p6t s LYS 98 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.96 1p6t s LYS 98 CO 0.47 -1.27 0.68 -0.89 0.00 0.00 0.00 175.35 174.33 1p6t n ILE 99 N 3.55 0.00 0.00 3.79 2.08 -1.13 -5.00 119.36 122.65 1p6t n ILE 99 Ca 0.15 1.17 0.00 0.00 0.56 0.00 0.00 62.75 64.64 1p6t n ILE 99 Cb 0.56 -2.17 0.00 0.00 -0.75 0.00 0.00 39.64 37.28 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 -1.98 0.00 -1.29 0.38 1.02 -1.26 -4.97 120.64 112.55 1p6t n GLU 100 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1p6t n GLU 100 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 101 N 1.65 3.94 3.40 0.62 0.00 -1.24 -4.57 105.19 108.98 1p6t n GLY 101 Ca 0.00 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 1.17 4.08 0.02 1.61 1.01 -1.26 -0.66 120.40 126.38 1p6t s VAL 102 Ca 0.67 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1p6t s VAL 102 Cb 0.24 -2.97 -0.17 0.00 0.00 0.00 0.00 36.38 33.49 1p6t s VAL 102 CO -0.05 0.26 1.30 0.00 0.00 0.00 0.00 175.10 176.61 1p6t h ALA 103 N 8.22 -0.49 -2.90 5.51 0.00 -0.42 -3.42 119.26 125.76 1p6t h ALA 103 Ca -0.37 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1p6t h ALA 103 Cb 1.16 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1p6t h ALA 103 CO 0.59 -0.63 -0.05 -0.80 0.00 0.00 0.00 179.25 178.36 1p6t s ASN 104 N -4.96 0.27 -0.39 0.00 0.01 -0.99 -4.63 114.94 104.25 1p6t s ASN 104 Ca -0.15 -1.15 0.03 0.00 -0.71 0.00 0.00 52.86 50.89 1p6t s ASN 104 Cb 0.02 0.67 0.29 0.00 0.41 0.00 0.00 41.25 42.65 1p6t s ASN 104 CO 0.55 -1.31 1.19 0.00 -1.51 0.00 0.00 177.10 176.01 1p6t n ALA 105 N -0.48 -2.40 -1.65 0.60 0.00 -1.26 -0.41 120.51 114.91 1p6t n ALA 105 Ca -0.02 -0.81 -0.34 0.00 0.00 0.00 0.00 53.44 52.27 1p6t n ALA 105 Cb 0.61 -2.35 0.02 0.00 0.00 0.00 0.00 19.45 17.73 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 0.25 3.15 0.10 0.00 0.04 -1.20 -4.68 135.00 132.66 1p6t s PRO 106 Ca 0.25 1.46 0.10 0.00 0.04 0.00 0.00 61.00 62.85 1p6t s PRO 106 Cb 0.25 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1p6t s PRO 106 CO -0.15 -0.98 -0.26 0.14 0.04 0.00 0.00 177.00 175.79 1p6t s VAL 107 N -2.10 2.12 -0.06 -0.36 -7.23 -1.26 -0.65 120.40 110.85 1p6t s VAL 107 Ca 0.69 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1p6t s VAL 107 Cb -0.21 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1p6t s VAL 107 CO 0.34 0.13 -0.21 0.20 -0.31 0.00 0.00 175.10 175.25 1p6t s ASN 108 N -1.82 3.40 -0.06 4.85 0.01 -0.05 -5.00 114.94 116.28 1p6t s ASN 108 Ca 0.12 -0.42 0.15 0.00 -0.71 0.00 0.00 52.86 52.00 1p6t s ASN 108 Cb -0.10 -0.92 0.53 0.00 0.41 0.00 0.00 41.25 41.17 1p6t s ASN 108 CO 0.05 0.26 1.41 0.33 -1.51 0.00 0.00 177.10 177.64 1p6t n PHE 109 N 2.87 1.02 0.00 2.20 7.35 -1.26 -2.85 117.46 126.79 1p6t n PHE 109 Ca -0.17 -0.43 0.00 0.00 -0.76 0.00 0.00 57.45 56.09 1p6t n PHE 109 Cb 0.52 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.21 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 0.90 3.00 0.13 3.13 0.00 -1.26 -4.67 120.51 121.74 1p6t n ALA 110 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1p6t n ALA 110 Cb 0.63 0.47 0.04 0.00 0.00 0.00 0.00 19.45 20.59 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 0.00 0.00 -1.26 0.00 3.38 -2.01 -3.48 115.31 111.94 1p6t h LEU 111 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1p6t h LEU 111 Cb 0.91 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.74 1p6t h LEU 111 CO 0.00 0.61 -0.38 -0.62 0.09 0.00 0.00 178.44 178.14 1p6t n GLU 112 N -3.32 -4.02 -4.02 1.13 1.02 -1.13 -4.92 120.64 105.38 1p6t n GLU 112 Ca 0.01 0.45 -0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1p6t n GLU 112 Cb 0.75 -4.32 -0.12 0.00 -0.02 0.00 0.00 31.44 27.73 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 -3.18 0.29 -0.15 2.62 -4.23 -1.17 -1.09 115.64 108.74 1p6t s THR 113 Ca 0.20 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1p6t s THR 113 Cb -0.09 -0.38 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 1p6t s THR 113 CO 0.39 -0.34 -0.05 0.54 -0.54 0.00 0.00 174.62 174.62 1p6t s VAL 114 N -1.13 3.74 0.26 2.29 0.11 0.74 -0.88 120.40 125.54 1p6t s VAL 114 Ca -0.10 -0.41 -0.25 0.00 -2.93 0.00 0.00 61.98 58.29 1p6t s VAL 114 Cb -0.08 -2.63 -0.09 0.00 -1.53 0.00 0.00 36.38 32.05 1p6t s VAL 114 CO -0.00 0.50 0.86 -0.89 -3.33 0.00 0.00 175.10 172.23 1p6t s THR 115 N 0.33 4.31 -0.15 5.04 2.01 0.17 -0.50 115.64 126.86 1p6t s THR 115 Ca -0.05 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 63.63 1p6t s THR 115 Cb -0.14 -4.03 0.04 0.00 0.01 0.00 0.00 72.50 68.38 1p6t s THR 115 CO 0.03 0.27 -0.03 0.54 -0.69 0.00 0.00 174.62 174.74 1p6t s VAL 116 N -1.46 0.91 -0.75 3.82 0.11 0.54 -3.24 120.40 120.33 1p6t s VAL 116 Ca 0.45 -0.50 -0.13 0.00 -2.93 0.00 0.00 61.98 58.87 1p6t s VAL 116 Cb -0.20 -1.13 0.20 0.00 -1.53 0.00 0.00 36.38 33.72 1p6t s VAL 116 CO 0.24 0.10 0.68 -0.70 -3.33 0.00 0.00 175.10 172.09 1p6t s GLU 117 N 1.72 3.35 0.10 1.54 2.12 0.45 -0.72 118.70 127.26 1p6t s GLU 117 Ca 0.01 -2.34 -0.11 0.00 0.36 0.00 0.00 54.97 52.89 1p6t s GLU 117 Cb -0.15 -4.31 0.01 0.00 0.26 0.00 0.00 34.13 29.94 1p6t s GLU 117 CO -0.07 -1.28 0.25 1.52 -0.54 0.00 0.00 175.26 175.14 1p6t s TYR 118 N 0.37 0.05 -0.42 5.30 1.13 -0.88 0.30 117.35 123.20 1p6t s TYR 118 Ca 0.15 -0.44 -0.22 0.00 -1.41 0.00 0.00 57.07 55.15 1p6t s TYR 118 Cb -0.15 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.76 1p6t s TYR 118 CO -0.06 -0.58 0.70 1.21 -2.51 0.00 0.00 175.55 174.31 1p6t s ASN 119 N -2.81 6.39 0.00 -0.18 3.04 0.16 -3.25 114.94 118.28 1p6t s ASN 119 Ca 0.04 -0.12 0.08 0.00 0.04 0.00 0.00 52.86 52.91 1p6t s ASN 119 Cb 0.04 -2.35 0.50 0.00 -1.54 0.00 0.00 41.25 37.90 1p6t s ASN 119 CO -0.11 -0.79 0.95 -0.81 -3.04 0.00 0.00 177.10 173.30 1p6t n PRO 120 N 6.39 0.48 -0.07 0.43 -0.04 -1.26 -1.13 135.00 139.81 1p6t n PRO 120 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1p6t n PRO 120 Cb 0.48 -1.27 -0.14 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.77 0.69 -0.01 0.54 -0.00 -1.26 -4.59 118.16 112.75 1p6t n LYS 121 Ca 0.06 0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.43 1p6t n LYS 121 Cb 0.03 -1.62 -0.14 0.00 -0.00 0.00 0.00 35.03 33.30 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 0.02 0.08 -3.97 -1.58 4.57 -1.49 -3.48 114.58 108.73 1p6t h GLU 122 Ca -0.48 -0.14 -0.18 0.00 -1.18 0.00 0.00 59.36 57.39 1p6t h GLU 122 Cb 2.04 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 30.59 1p6t h GLU 122 CO 0.02 0.72 -0.20 0.00 -1.18 0.00 0.00 179.01 178.37 1p6t s ALA 123 N -2.59 0.39 0.19 2.92 0.00 -0.63 -4.84 121.76 117.21 1p6t s ALA 123 Ca -0.09 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.52 1p6t s ALA 123 Cb 0.08 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.31 1p6t s ALA 123 CO 0.81 -0.80 0.27 -1.12 0.00 0.00 0.00 175.76 174.93 1p6t s SER 124 N -3.14 0.06 0.36 0.00 0.01 -1.26 -3.98 113.70 105.74 1p6t s SER 124 Ca 0.28 -1.07 0.19 0.00 1.31 0.00 0.00 55.95 56.66 1p6t s SER 124 Cb 0.00 0.45 1.28 0.00 0.21 0.00 0.00 66.02 67.96 1p6t s SER 124 CO 0.15 -0.93 1.55 0.52 0.41 0.00 0.00 173.24 174.94 1p6t n VAL 125 N -0.27 -0.41 -0.28 3.43 0.31 -1.26 -0.20 118.33 119.65 1p6t n VAL 125 Ca -0.03 2.01 0.09 0.00 -0.01 0.00 0.00 64.34 66.40 1p6t n VAL 125 Cb 0.64 -3.24 0.24 0.00 -0.91 0.00 0.00 33.84 30.57 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 0.14 -0.43 4.52 0.02 -1.98 0.11 113.55 115.93 1p6t h SER 126 Ca 0.82 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.92 1p6t h SER 126 Cb 2.13 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.82 1p6t h SER 126 CO -0.77 -0.02 0.28 -0.78 -1.14 0.00 0.00 176.83 174.39 1p6t h ASP 127 N 0.33 0.50 -0.21 3.07 3.58 -1.00 0.13 116.42 122.81 1p6t h ASP 127 Ca 0.48 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1p6t h ASP 127 Cb 0.87 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1p6t h ASP 127 CO -0.53 0.37 0.09 -0.07 -2.88 0.00 0.00 179.24 176.23 1p6t h LEU 128 N 0.58 0.29 0.49 2.28 3.38 -1.21 0.21 115.31 121.33 1p6t h LEU 128 Ca 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1p6t h LEU 128 Cb -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1p6t h LEU 128 CO -0.03 0.37 -0.32 0.11 0.09 0.00 0.00 178.44 178.66 1p6t h LYS 129 N 0.20 -0.75 -0.72 1.13 1.57 -0.69 -0.49 116.57 116.82 1p6t h LYS 129 Ca 0.07 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.06 1p6t h LYS 129 Cb 0.17 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.53 1p6t h LYS 129 CO -0.01 -0.50 0.10 0.93 -0.57 0.00 0.00 179.45 179.40 1p6t h GLU 130 N -0.78 0.18 0.86 3.15 4.39 -0.48 0.27 114.58 122.17 1p6t h GLU 130 Ca -0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1p6t h GLU 130 Cb 0.65 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1p6t h GLU 130 CO 0.04 0.12 -0.45 0.00 -1.16 0.00 0.00 179.01 177.56 1p6t h ALA 131 N 1.63 -1.22 -0.05 3.43 0.00 -0.34 -2.65 119.26 120.08 1p6t h ALA 131 Ca 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 131 Cb 0.69 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1p6t h ALA 131 CO -0.56 -1.19 -0.21 0.28 0.00 0.00 0.00 179.25 177.57 1p6t h VAL 132 N -1.20 1.18 -0.66 0.00 2.07 -0.23 -0.96 116.25 116.44 1p6t h VAL 132 Ca -0.12 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1p6t h VAL 132 Cb 0.94 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1p6t h VAL 132 CO 0.17 0.24 0.35 0.44 0.02 0.00 0.00 177.57 178.79 1p6t h ASP 133 N 0.07 0.50 0.38 0.57 3.32 -0.40 0.23 116.42 121.09 1p6t h ASP 133 Ca 0.01 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1p6t h ASP 133 Cb 0.42 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1p6t h ASP 133 CO 0.03 0.31 -0.14 0.11 -1.72 0.00 0.00 179.24 177.83 1p6t h LYS 134 N 0.63 0.00 0.01 3.56 1.57 -0.81 -1.31 116.57 120.22 1p6t h LYS 134 Ca 0.31 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.89 1p6t h LYS 134 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1p6t h LYS 134 CO -0.21 0.14 -0.89 -0.07 -0.57 0.00 0.00 179.45 177.86 1p6t h LEU 135 N 0.00 0.21 -0.73 2.94 -0.00 -0.78 -3.49 115.31 113.47 1p6t h LEU 135 Ca -0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1p6t h LEU 135 Cb 0.37 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1p6t h LEU 135 CO 0.02 1.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.06 1p6t n GLY 136 N 0.91 0.50 1.27 0.83 0.00 0.61 -5.11 105.19 104.22 1p6t n GLY 136 Ca -0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.40 -0.20 -3.84 1.61 4.01 -1.09 -5.03 117.16 112.20 1p6t n TYR 137 Ca 0.00 -1.08 -0.17 0.00 -0.16 0.00 0.00 57.90 56.49 1p6t n TYR 137 Cb 0.19 0.08 -0.16 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 -2.55 0.18 0.48 -0.72 -2.85 -1.25 -4.21 119.74 108.82 1p6t s LYS 138 Ca 0.13 0.14 -0.10 0.00 -1.00 0.00 0.00 55.97 55.15 1p6t s LYS 138 Cb 0.01 -0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 35.27 1p6t s LYS 138 CO 0.09 -0.18 0.85 -0.51 0.10 0.00 0.00 175.35 175.71 1p6t s LEU 139 N 1.23 3.65 0.06 2.77 1.43 -1.26 -0.88 118.68 125.68 1p6t s LEU 139 Ca -0.07 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.28 1p6t s LEU 139 Cb -0.13 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 1p6t s LEU 139 CO -0.02 -0.55 -0.14 -0.54 0.23 0.00 0.00 176.35 175.32 1p6t s LYS 140 N -4.33 0.83 -0.13 1.70 1.02 0.11 -4.87 119.74 114.07 1p6t s LYS 140 Ca 0.52 -0.89 -0.24 0.00 0.02 0.00 0.00 55.97 55.38 1p6t s LYS 140 Cb -0.10 -0.83 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1p6t s LYS 140 CO 0.39 0.19 0.76 -0.51 -0.92 0.00 0.00 175.35 175.26 1p6t s LEU 141 N -1.57 4.23 -1.40 3.17 1.02 -1.26 -0.02 118.68 122.85 1p6t s LEU 141 Ca -0.01 1.15 -0.14 0.00 0.02 0.00 0.00 54.13 55.15 1p6t s LEU 141 Cb -0.09 -3.14 0.07 0.00 0.02 0.00 0.00 46.19 43.04 1p6t s LEU 141 CO 0.02 -0.27 2.08 0.29 0.02 0.00 0.00 176.35 178.48 1p6t n LYS 142 N 4.64 3.05 0.00 1.70 5.02 -1.09 -4.70 118.16 126.78 1p6t n LYS 142 Ca 0.02 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 1p6t n LYS 142 Cb 0.50 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.26 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6t n GLY 143 N 4.05 1.59 3.14 0.72 0.00 -1.26 -4.75 105.19 108.68 1p6t n GLY 143 Ca 0.49 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.41 0.00 1.61 -0.58 -1.26 -4.04 120.64 112.96 1p6t n GLU 144 Ca 0.00 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1p6t n GLU 144 Cb 0.00 -5.27 0.00 0.00 -0.57 0.00 0.00 31.44 25.60 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 -3.60 0.00 0.00 3.49 6.02 -1.26 -5.05 117.38 116.98 1p6t n GLN 145 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1p6t n GLN 145 Cb 0.57 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.83 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1p6t n ASP 146 N -1.92 0.00 -3.91 1.08 2.03 -1.26 -4.60 116.55 107.98 1p6t n ASP 146 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1p6t n ASP 146 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1p6t n SER 147 N 2.95 6.09 0.00 1.67 3.41 -1.26 -4.83 113.62 121.65 1p6t n SER 147 Ca 0.00 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 1p6t n SER 147 Cb 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1p6t n ILE 148 N 1.94 0.00 -3.64 -1.33 5.41 -1.26 -5.02 119.36 115.46 1p6t n ILE 148 Ca 0.34 1.30 -0.06 0.00 1.00 0.00 0.00 62.75 65.33 1p6t n ILE 148 Cb 0.33 -2.30 -0.02 0.00 -0.71 0.00 0.00 39.64 36.94 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p6t s GLU 149 N -2.60 1.05 -0.35 0.38 2.12 -1.26 -5.13 118.70 112.90 1p6t s GLU 149 Ca 0.00 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 54.87 1p6t s GLU 149 Cb 0.00 0.41 0.30 0.00 0.26 0.00 0.00 34.13 35.10 1p6t s GLU 149 CO 0.00 -0.47 1.31 0.41 -0.54 0.00 0.00 175.26 175.97 1p6t n GLY 150 N -0.37 -0.89 0.72 -1.50 0.00 -1.26 -5.16 105.19 96.72 1p6t n GLY 150 Ca -0.08 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19