#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t h LEU 2 N 0.00 -0.16 0.00 4.03 6.46 -2.07 -3.46 115.31 120.12 1p6t h LEU 2 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1p6t h LEU 2 Cb 0.00 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1p6t h LEU 2 CO 0.00 -0.06 0.00 -1.20 -0.62 0.00 0.00 178.44 176.56 1p6t n SER 3 N -5.18 0.00 -2.23 1.25 7.64 -1.26 -5.04 113.62 108.79 1p6t n SER 3 Ca -0.03 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.82 1p6t n SER 3 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.00 -0.17 -4.21 1.43 2.13 -1.26 -4.95 120.64 113.61 1p6t n GLU 4 Ca 0.00 0.10 -0.24 0.00 0.66 0.00 0.00 57.16 57.67 1p6t n GLU 4 Cb 0.00 -0.22 -0.07 0.00 0.27 0.00 0.00 31.44 31.42 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p6t s GLN 5 N -1.71 2.49 -0.01 5.31 -1.52 -1.26 -4.09 119.66 118.87 1p6t s GLN 5 Ca 0.01 -1.19 -0.04 0.00 -1.95 0.00 0.00 55.36 52.19 1p6t s GLN 5 Cb -0.00 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.44 1p6t s GLN 5 CO 0.09 0.42 0.09 -1.59 -0.25 0.00 0.00 175.29 174.05 1p6t s LYS 6 N -3.37 0.27 0.35 2.91 0.00 0.12 -4.95 119.74 115.06 1p6t s LYS 6 Ca 0.30 -0.17 -0.13 0.00 0.00 0.00 0.00 55.97 55.97 1p6t s LYS 6 Cb -0.08 0.11 -0.08 0.00 0.00 0.00 0.00 37.83 37.79 1p6t s LYS 6 CO 0.20 -0.05 0.73 -1.21 0.00 0.00 0.00 175.35 175.02 1p6t s GLU 7 N -0.70 3.90 -0.06 1.78 8.01 -1.26 -1.17 118.70 129.20 1p6t s GLU 7 Ca -0.08 0.56 -0.03 0.00 0.01 0.00 0.00 54.97 55.43 1p6t s GLU 7 Cb -0.05 -2.43 0.03 0.00 -4.31 0.00 0.00 34.13 27.37 1p6t s GLU 7 CO 0.00 0.10 0.14 -1.50 0.01 0.00 0.00 175.26 174.01 1p6t s ILE 8 N -2.12 -0.04 -0.20 -1.63 -1.16 0.15 -4.97 121.20 111.24 1p6t s ILE 8 Ca 0.52 0.14 -0.01 0.00 -0.51 0.00 0.00 60.65 60.79 1p6t s ILE 8 Cb -0.10 -0.22 0.00 0.00 0.61 0.00 0.00 42.46 42.75 1p6t s ILE 8 CO 0.23 0.06 -0.12 0.00 -2.81 0.00 0.00 174.94 172.30 1p6t s ALA 9 N 0.94 2.58 0.21 1.50 0.00 -1.26 -0.84 121.76 124.89 1p6t s ALA 9 Ca -0.07 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 1p6t s ALA 9 Cb -0.09 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1p6t s ALA 9 CO -0.05 -0.37 0.26 -1.64 0.00 0.00 0.00 175.76 173.97 1p6t s MET 10 N 1.35 1.31 -0.12 0.00 -1.94 0.03 -3.43 119.30 116.50 1p6t s MET 10 Ca 0.05 -1.45 -0.10 0.00 -1.71 0.00 0.00 55.69 52.47 1p6t s MET 10 Cb -0.14 0.35 -0.05 0.00 2.01 0.00 0.00 34.83 37.01 1p6t s MET 10 CO -0.07 -0.48 0.21 -0.65 -0.01 0.00 0.00 175.02 174.02 1p6t s GLN 11 N -4.09 3.77 0.08 2.03 -0.21 -1.26 0.24 119.66 120.22 1p6t s GLN 11 Ca 0.31 -0.02 0.08 0.00 0.02 0.00 0.00 55.36 55.76 1p6t s GLN 11 Cb 0.04 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 1p6t s GLN 11 CO 0.10 0.61 -0.22 0.54 -2.12 0.00 0.00 175.29 174.19 1p6t s VAL 12 N -0.59 1.80 0.46 1.09 0.11 -1.13 -0.92 120.40 121.22 1p6t s VAL 12 Ca 0.16 -1.46 0.07 0.00 -2.93 0.00 0.00 61.98 57.82 1p6t s VAL 12 Cb -0.13 -1.60 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 1p6t s VAL 12 CO 0.05 0.07 0.44 -0.44 -3.33 0.00 0.00 175.10 171.88 1p6t s SER 13 N -1.67 5.00 -0.68 3.54 0.01 0.51 -4.59 113.70 115.83 1p6t s SER 13 Ca 0.08 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1p6t s SER 13 Cb -0.10 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1p6t s SER 13 CO 0.04 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1p6t n GLY 14 N -1.69 0.84 2.98 3.44 0.00 -1.26 -4.17 105.19 105.33 1p6t n GLY 14 Ca 0.04 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1p6t n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 15 N -2.27 2.15 0.30 1.61 2.00 -1.26 -4.72 117.12 114.93 1p6t n MET 15 Ca -0.06 -2.25 0.17 0.00 0.00 0.00 0.00 57.70 55.55 1p6t n MET 15 Cb 0.28 -3.13 0.96 0.00 0.00 0.00 0.00 33.22 31.33 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 4.38 0.39 -4.44 2.03 2.02 -1.97 -3.46 112.91 111.86 1p6t h THR 16 Ca 0.48 -0.10 -0.28 0.00 0.77 0.00 0.00 66.41 67.28 1p6t h THR 16 Cb 0.68 1.07 0.10 0.00 -1.74 0.00 0.00 68.15 68.26 1p6t h THR 16 CO 1.88 0.02 -0.49 0.00 0.37 0.00 0.00 175.52 177.31 1p6t s ALA 18 N -3.23 -1.04 0.00 0.00 0.00 -1.26 -4.95 121.76 111.28 1p6t s ALA 18 Ca 0.37 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1p6t s ALA 18 Cb -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1p6t s ALA 18 CO 0.51 -2.15 0.00 0.00 0.00 0.00 0.00 175.76 174.12 1p6t n ALA 19 N 4.32 0.00 0.22 0.00 0.00 -1.26 -4.79 120.51 119.01 1p6t n ALA 19 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 19 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.45 0.68 -0.81 0.00 0.00 -1.87 -1.61 119.26 114.21 1p6t h ALA 21 Ca -0.05 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1p6t h ALA 21 Cb 0.53 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1p6t h ALA 21 CO 0.04 0.13 0.45 0.00 0.00 0.00 0.00 179.25 179.86 1p6t h ALA 22 N 1.19 1.15 -0.58 0.00 0.00 -1.86 0.27 119.26 119.45 1p6t h ALA 22 Ca 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1p6t h ALA 22 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1p6t h ALA 22 CO -0.04 0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.53 1p6t h ARG 23 N 0.74 0.83 0.38 0.00 2.47 0.08 0.10 114.38 118.99 1p6t h ARG 23 Ca 0.40 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1p6t h ARG 23 Cb 0.40 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1p6t h ARG 23 CO -0.26 0.69 -0.21 0.82 0.56 0.00 0.00 179.97 181.56 1p6t h ILE 24 N 0.78 0.00 -0.81 2.04 2.04 -0.05 0.20 117.51 121.72 1p6t h ILE 24 Ca 0.20 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.20 1p6t h ILE 24 Cb 0.13 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.12 1p6t h ILE 24 CO -0.02 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 178.17 1p6t h GLU 25 N -0.55 0.51 -0.29 2.37 4.39 -0.48 0.26 114.58 120.80 1p6t h GLU 25 Ca -0.05 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1p6t h GLU 25 Cb 0.43 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1p6t h GLU 25 CO 0.07 0.34 0.02 -0.22 -1.16 0.00 0.00 179.01 178.05 1p6t h LYS 26 N 0.53 0.50 -0.44 2.33 3.64 -0.79 0.17 116.57 122.50 1p6t h LYS 26 Ca 0.44 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1p6t h LYS 26 Cb 0.66 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1p6t h LYS 26 CO -0.39 0.63 0.24 0.78 -2.27 0.00 0.00 179.45 178.45 1p6t h GLY 27 N 0.30 0.66 1.04 5.01 0.00 0.12 -2.58 103.07 107.60 1p6t h GLY 27 Ca 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1p6t h GLY 27 CO 0.01 0.29 0.30 1.41 0.00 0.00 0.00 176.54 178.55 1p6t h LEU 28 N 0.58 1.03 -2.23 3.11 -0.00 -0.48 -1.32 115.31 116.00 1p6t h LEU 28 Ca 0.16 -0.17 0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1p6t h LEU 28 Cb 0.05 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.44 1p6t h LEU 28 CO -0.02 0.92 0.26 0.50 -0.00 0.00 0.00 178.44 180.10 1p6t h LYS 29 N 1.08 0.00 0.00 1.13 1.63 -0.28 0.82 116.57 120.95 1p6t h LYS 29 Ca 0.25 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1p6t h LYS 29 Cb 0.21 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1p6t h LYS 29 CO -0.02 0.00 -0.15 -0.09 -3.45 0.00 0.00 179.45 175.74 1p6t h ARG 30 N 0.00 0.00 -6.28 1.90 9.65 -0.94 -3.43 114.38 115.29 1p6t h ARG 30 Ca 0.03 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.36 1p6t h ARG 30 Cb 0.54 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1p6t h ARG 30 CO -0.00 0.15 0.90 -1.64 2.80 0.00 0.00 179.97 182.18 1p6t s MET 31 N -4.65 4.25 -1.12 0.20 -1.94 0.28 -4.91 119.30 111.42 1p6t s MET 31 Ca -0.04 1.91 -0.22 0.00 -1.71 0.00 0.00 55.69 55.63 1p6t s MET 31 Cb 0.16 -3.72 -0.08 0.00 2.01 0.00 0.00 34.83 33.19 1p6t s MET 31 CO 0.68 -0.66 1.92 -0.35 -0.01 0.00 0.00 175.02 176.59 1p6t n PRO 32 N 6.10 1.78 0.00 2.03 -0.04 -1.26 -2.11 135.00 141.50 1p6t n PRO 32 Ca 0.14 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1p6t n PRO 32 Cb 0.44 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 1p6t n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p6t n GLY 33 N 5.46 0.03 3.64 0.55 0.00 -1.26 -4.63 105.19 108.97 1p6t n GLY 33 Ca 0.46 -0.02 -0.47 0.00 0.00 0.00 0.00 46.02 46.00 1p6t n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p6t n VAL 34 N -0.45 0.53 -0.07 1.61 0.31 -0.90 -0.39 118.33 118.97 1p6t n VAL 34 Ca 0.00 -0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 1p6t n VAL 34 Cb 0.00 -2.04 -0.08 0.00 -0.91 0.00 0.00 33.84 30.80 1p6t n VAL 34 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1p6t h THR 35 N 5.98 1.02 -3.66 2.52 2.02 -1.03 -3.48 112.91 116.28 1p6t h THR 35 Ca -0.45 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 64.80 1p6t h THR 35 Cb 1.27 2.02 -0.12 0.00 -1.74 0.00 0.00 68.15 69.58 1p6t h THR 35 CO 0.96 0.35 -0.19 -0.62 0.37 0.00 0.00 175.52 176.39 1p6t s ASP 36 N -6.14 -0.07 -0.19 4.18 2.15 -0.27 -5.02 116.67 111.30 1p6t s ASP 36 Ca -0.16 -0.72 -0.04 0.00 0.43 0.00 0.00 52.55 52.06 1p6t s ASP 36 Cb -0.00 0.49 0.10 0.00 -0.30 0.00 0.00 42.92 43.21 1p6t s ASP 36 CO 0.46 -0.96 0.28 0.00 -0.17 0.00 0.00 175.17 174.78 1p6t s ALA 37 N -3.93 -0.58 0.17 3.66 0.00 -1.26 -0.58 121.76 119.24 1p6t s ALA 37 Ca 0.14 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1p6t s ALA 37 Cb 0.02 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1p6t s ALA 37 CO -0.01 -1.05 -0.04 -0.80 0.00 0.00 0.00 175.76 173.86 1p6t s ASN 38 N 2.42 1.54 -0.26 0.00 0.02 0.29 -4.92 114.94 114.03 1p6t s ASN 38 Ca 0.06 -1.12 -0.01 0.00 -1.02 0.00 0.00 52.86 50.78 1p6t s ASN 38 Cb -0.14 0.05 0.15 0.00 0.02 0.00 0.00 41.25 41.32 1p6t s ASN 38 CO -0.12 -0.47 0.40 0.54 0.02 0.00 0.00 177.10 177.47 1p6t s VAL 39 N -3.49 -0.64 -1.39 1.60 0.11 -1.26 -0.32 120.40 115.01 1p6t s VAL 39 Ca 0.21 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.97 1p6t s VAL 39 Cb 0.05 -0.88 0.06 0.00 -1.53 0.00 0.00 36.38 34.07 1p6t s VAL 39 CO 0.03 -0.17 2.02 0.59 -3.33 0.00 0.00 175.10 174.24 1p6t n ASN 40 N 5.36 4.34 0.01 3.54 4.13 0.91 -4.72 115.26 128.84 1p6t n ASN 40 Ca -0.02 -2.88 0.21 0.00 1.68 0.00 0.00 54.58 53.57 1p6t n ASN 40 Cb 0.50 -1.69 0.72 0.00 -1.54 0.00 0.00 39.78 37.76 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 11.04 0.00 -1.41 3.41 8.10 -1.92 0.98 115.31 135.51 1p6t h LEU 41 Ca 0.52 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.70 1p6t h LEU 41 Cb 0.74 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.89 1p6t h LEU 41 CO 1.70 0.00 0.59 0.00 -4.11 0.00 0.00 178.44 176.63 1p6t h ALA 42 N 1.66 2.07 -0.15 0.17 0.00 -1.95 -0.37 119.26 120.68 1p6t h ALA 42 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1p6t h ALA 42 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1p6t h ALA 42 CO -0.00 -0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.14 1p6t n THR 43 N -4.55 1.37 -4.14 0.00 -2.24 0.16 -4.99 114.28 99.89 1p6t n THR 43 Ca 0.19 -1.37 -0.34 0.00 -2.27 0.00 0.00 64.05 60.27 1p6t n THR 43 Cb 0.64 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.35 -3.50 -3.81 -0.78 1.02 -0.15 -4.95 120.64 108.12 1p6t n GLU 44 Ca 0.10 0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 57.28 1p6t n GLU 44 Cb 0.48 -5.05 -0.13 0.00 -0.02 0.00 0.00 31.44 26.72 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 -3.41 3.38 -0.15 2.62 2.01 -0.27 -2.83 115.64 116.99 1p6t s THR 45 Ca 0.61 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.92 1p6t s THR 45 Cb -0.33 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1p6t s THR 45 CO 0.91 -0.25 0.93 0.54 -0.69 0.00 0.00 174.62 176.06 1p6t s VAL 46 N 1.30 4.81 -0.32 3.82 0.11 0.14 -0.06 120.40 130.19 1p6t s VAL 46 Ca -0.01 1.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.89 1p6t s VAL 46 Cb -0.20 -4.23 0.07 0.00 -1.53 0.00 0.00 36.38 30.49 1p6t s VAL 46 CO -0.00 -0.01 0.03 0.20 -3.33 0.00 0.00 175.10 171.99 1p6t s ASN 47 N 1.14 4.86 -0.09 3.54 0.01 0.56 -0.79 114.94 124.16 1p6t s ASN 47 Ca 0.43 -1.62 -0.01 0.00 -0.71 0.00 0.00 52.86 50.95 1p6t s ASN 47 Cb -0.17 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 1p6t s ASN 47 CO 0.14 -0.33 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.69 1p6t s VAL 48 N 1.13 4.11 -0.19 1.60 1.01 -0.02 -0.55 120.40 127.50 1p6t s VAL 48 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1p6t s VAL 48 Cb -0.20 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1p6t s VAL 48 CO -0.04 0.59 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 1p6t s ILE 49 N -0.69 1.82 0.26 2.22 1.01 0.26 -0.67 121.20 125.41 1p6t s ILE 49 Ca 0.11 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1p6t s ILE 49 Cb -0.12 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1p6t s ILE 49 CO 0.02 0.35 0.53 -0.72 0.00 0.00 0.00 174.94 175.12 1p6t s TYR 50 N 1.35 0.28 -0.08 3.97 -0.85 -0.32 -0.35 117.35 121.35 1p6t s TYR 50 Ca 0.02 -0.67 -0.30 0.00 -0.52 0.00 0.00 57.07 55.60 1p6t s TYR 50 Cb -0.15 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.47 1p6t s TYR 50 CO -0.10 -1.07 1.02 0.34 -1.52 0.00 0.00 175.55 174.22 1p6t s ASP 51 N -3.01 7.25 0.00 -0.18 -1.08 0.48 -0.70 116.67 119.43 1p6t s ASP 51 Ca 0.20 1.58 0.01 0.00 -0.52 0.00 0.00 52.55 53.83 1p6t s ASP 51 Cb -0.02 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.92 1p6t s ASP 51 CO 0.09 -0.43 0.87 -0.81 0.52 0.00 0.00 175.17 175.42 1p6t n PRO 52 N 4.81 0.84 0.00 4.34 -0.04 -1.26 -3.45 135.00 140.24 1p6t n PRO 52 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1p6t n PRO 52 Cb 0.49 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.51 0.86 -0.08 0.55 0.00 -1.26 -4.73 120.51 115.33 1p6t n ALA 53 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1p6t n ALA 53 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.46 0.71 0.00 0.00 1.02 -1.23 -4.97 120.64 115.70 1p6t n GLU 54 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1p6t n GLU 54 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.90 0.00 0.00 2.62 -1.04 -1.22 -4.92 114.28 106.82 1p6t n THR 55 Ca -0.29 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1p6t n THR 55 Cb 0.85 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 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 3.47 2.33 0.33 3.41 0.00 -1.26 -4.48 105.19 108.99 1p6t n GLY 56 Ca 0.00 -1.30 0.27 0.00 0.00 0.00 0.00 46.02 44.99 1p6t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6t h THR 57 N 0.00 0.17 -0.59 2.61 1.03 -1.91 0.48 112.91 114.70 1p6t h THR 57 Ca 0.00 -0.06 -0.05 0.00 -0.01 0.00 0.00 66.41 66.29 1p6t h THR 57 Cb 0.00 -0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 67.02 1p6t h THR 57 CO 0.00 0.03 0.17 0.00 -0.01 0.00 0.00 175.52 175.72 1p6t h ALA 58 N 1.91 0.78 -0.16 0.00 0.00 -1.90 -2.01 119.26 117.88 1p6t h ALA 58 Ca 0.78 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 1p6t h ALA 58 Cb 1.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1p6t h ALA 58 CO -0.67 0.46 -0.28 0.00 0.00 0.00 0.00 179.25 178.75 1p6t h ALA 59 N 1.05 1.22 0.25 0.00 0.00 -0.30 0.29 119.26 121.77 1p6t h ALA 59 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p6t h ALA 59 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1p6t h ALA 59 CO -0.00 0.52 -0.25 0.82 0.00 0.00 0.00 179.25 180.33 1p6t h ILE 60 N 0.27 0.46 -0.65 0.00 1.08 -0.83 0.56 117.51 118.40 1p6t h ILE 60 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1p6t h ILE 60 Cb 0.65 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1p6t h ILE 60 CO 0.05 0.00 0.42 0.06 -0.69 0.00 0.00 178.15 177.99 1p6t h GLN 61 N -0.54 0.87 -0.70 2.37 3.07 -1.07 -1.19 115.11 117.91 1p6t h GLN 61 Ca -0.01 -0.06 0.14 0.00 0.09 0.00 0.00 58.65 58.81 1p6t h GLN 61 Cb 0.50 -0.19 -0.10 0.00 0.08 0.00 0.00 27.48 27.77 1p6t h GLN 61 CO -0.06 0.59 0.22 1.49 0.09 0.00 0.00 178.83 181.16 1p6t h GLU 62 N 0.89 0.33 -0.06 0.06 4.81 -0.56 0.29 114.58 120.34 1p6t h GLU 62 Ca 0.24 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1p6t h GLU 62 Cb -0.08 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1p6t h GLU 62 CO -0.05 0.22 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.23 1p6t h LYS 63 N 0.34 0.12 -0.54 1.92 1.63 0.10 0.38 116.57 120.52 1p6t h LYS 63 Ca 0.39 -0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.26 1p6t h LYS 63 Cb 0.60 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.13 1p6t h LYS 63 CO -0.43 0.41 -0.04 0.82 -3.45 0.00 0.00 179.45 176.76 1p6t h ILE 64 N -0.19 0.53 0.16 2.00 2.04 -0.49 0.23 117.51 121.79 1p6t h ILE 64 Ca 0.02 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1p6t h ILE 64 Cb 0.36 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1p6t h ILE 64 CO 0.00 0.01 -0.08 -0.33 0.00 0.00 0.00 178.15 177.76 1p6t h GLU 65 N 0.08 -0.21 -0.73 2.37 5.08 -0.74 -2.45 114.58 117.99 1p6t h GLU 65 Ca 0.27 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.76 1p6t h GLU 65 Cb 0.42 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1p6t h GLU 65 CO -0.49 -0.03 0.48 0.87 -1.00 0.00 0.00 179.01 178.84 1p6t h LYS 66 N -0.34 0.55 0.00 2.33 1.57 -0.43 0.96 116.57 121.21 1p6t h LYS 66 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1p6t h LYS 66 Cb 0.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1p6t h LYS 66 CO 0.04 0.36 0.00 1.28 -0.57 0.00 0.00 179.45 180.56 1p6t n LEU 67 N -4.49 0.32 -0.12 2.94 4.77 0.77 -4.85 117.00 116.33 1p6t n LEU 67 Ca 0.12 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1p6t n LEU 67 Cb 0.38 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1p6t n LEU 67 CO 0.33 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 1p6t n GLY 68 N -0.58 0.89 3.42 -0.72 0.00 0.33 -5.04 105.19 103.50 1p6t n GLY 68 Ca 0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.05 1.74 0.00 1.61 2.02 -1.07 -5.01 117.35 114.60 1p6t s TYR 69 Ca 0.00 -1.41 -0.01 0.00 -0.37 0.00 0.00 57.07 55.28 1p6t s TYR 69 Cb 0.00 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1p6t s TYR 69 CO 0.00 -0.49 0.02 -1.58 -1.57 0.00 0.00 175.55 171.92 1p6t s HIS 70 N -3.34 0.08 -0.05 2.71 2.46 -1.26 -4.18 115.29 111.71 1p6t s HIS 70 Ca 0.30 -0.15 -0.11 0.00 0.47 0.00 0.00 55.06 55.57 1p6t s HIS 70 Cb 0.03 -0.06 -0.05 0.00 -0.13 0.00 0.00 32.58 32.36 1p6t s HIS 70 CO 0.19 -0.10 0.29 0.14 -2.47 0.00 0.00 174.74 172.78 1p6t s VAL 71 N -0.61 5.25 -1.45 0.89 -7.23 -1.26 -0.36 120.40 115.63 1p6t s VAL 71 Ca -0.07 0.53 -0.10 0.00 -1.81 0.00 0.00 61.98 60.52 1p6t s VAL 71 Cb -0.04 -3.57 0.04 0.00 0.56 0.00 0.00 36.38 33.37 1p6t s VAL 71 CO -0.00 0.58 2.41 0.52 -0.31 0.00 0.00 175.10 178.30 1p6t n VAL 72 N 1.83 4.22 -4.35 1.32 0.31 -0.10 -4.88 118.33 116.67 1p6t n VAL 72 Ca -0.16 -3.39 -0.19 0.00 -0.01 0.00 0.00 64.34 60.58 1p6t n VAL 72 Cb 0.53 -2.47 -0.14 0.00 -0.91 0.00 0.00 33.84 30.86 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 1.54 0.94 0.03 2.52 2.01 -1.26 -4.30 115.64 117.13 1p6t s THR 73 Ca 0.54 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1p6t s THR 73 Cb 0.15 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1p6t s THR 73 CO -0.06 0.05 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.14 1p6t s GLU 74 N -0.86 1.12 -0.96 4.92 0.41 -1.24 -4.98 118.70 117.12 1p6t s GLU 74 Ca 0.01 -0.78 -0.20 0.00 -0.41 0.00 0.00 54.97 53.59 1p6t s GLU 74 Cb -0.07 -1.16 0.11 0.00 -1.78 0.00 0.00 34.13 31.23 1p6t s GLU 74 CO 0.01 0.30 1.22 -1.59 -0.49 0.00 0.00 175.26 174.70 1p6t s LYS 75 N -1.02 3.60 0.53 1.61 -2.85 -1.26 -2.95 119.74 117.39 1p6t s LYS 75 Ca 0.04 -1.57 -0.09 0.00 -1.00 0.00 0.00 55.97 53.35 1p6t s LYS 75 Cb -0.08 -5.05 -0.04 0.00 -2.06 0.00 0.00 37.83 30.60 1p6t s LYS 75 CO 0.01 -1.90 0.89 0.00 0.10 0.00 0.00 175.35 174.45 1p6t s ALA 76 N 3.36 3.25 -0.11 0.59 0.00 0.41 -4.85 121.76 124.41 1p6t s ALA 76 Ca 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1p6t s ALA 76 Cb -0.03 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.27 1p6t s ALA 76 CO -0.10 -0.44 -0.11 -1.21 0.00 0.00 0.00 175.76 173.91 1p6t s GLU 77 N -4.77 1.78 0.05 0.00 2.02 -1.26 -0.33 118.70 116.20 1p6t s GLU 77 Ca 0.52 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.21 1p6t s GLU 77 Cb -0.11 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 1p6t s GLU 77 CO 0.46 -0.19 -0.18 -0.06 0.02 0.00 0.00 175.26 175.31 1p6t s PHE 78 N 1.40 2.54 0.05 1.61 0.08 -0.00 -1.91 117.98 121.76 1p6t s PHE 78 Ca 0.00 -0.26 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 1p6t s PHE 78 Cb -0.13 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1p6t s PHE 78 CO -0.06 0.27 0.21 0.34 -0.10 0.00 0.00 175.22 175.87 1p6t s ASP 79 N -1.53 6.34 -0.18 1.36 -1.08 0.35 -0.46 116.67 121.48 1p6t s ASP 79 Ca 0.15 0.27 0.01 0.00 -0.52 0.00 0.00 52.55 52.46 1p6t s ASP 79 Cb -0.10 -1.95 0.03 0.00 -1.46 0.00 0.00 42.92 39.43 1p6t s ASP 79 CO 0.06 0.18 -0.17 -0.63 0.52 0.00 0.00 175.17 175.13 1p6t s ILE 80 N -1.49 1.87 -0.84 4.11 1.01 -0.18 0.09 121.20 125.76 1p6t s ILE 80 Ca 0.34 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 1p6t s ILE 80 Cb -0.13 -1.74 0.22 0.00 0.01 0.00 0.00 42.46 40.81 1p6t s ILE 80 CO 0.27 0.45 0.76 -1.61 0.00 0.00 0.00 174.94 174.80 1p6t s GLU 81 N 1.35 3.44 0.00 2.79 2.02 -0.82 -4.50 118.70 122.98 1p6t s GLU 81 Ca 0.04 -2.70 0.00 0.00 0.02 0.00 0.00 54.97 52.32 1p6t s GLU 81 Cb -0.14 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.85 1p6t s GLU 81 CO -0.11 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.32 1p6t n GLY 82 N 3.46 -0.16 3.66 -1.39 0.00 -1.26 -3.18 105.19 106.32 1p6t n GLY 82 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1p6t n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1p6t s MET 83 N 0.00 4.14 -0.23 1.61 0.23 -1.26 -4.85 119.30 118.94 1p6t s MET 83 Ca 0.00 2.61 0.20 0.00 -1.03 0.00 0.00 55.69 57.47 1p6t s MET 83 Cb 0.00 -4.13 0.49 0.00 -1.53 0.00 0.00 34.83 29.66 1p6t s MET 83 CO 0.00 -0.95 1.14 0.25 -2.03 0.00 0.00 175.02 173.43 1p6t n THR 84 N 5.51 1.37 -2.80 3.16 -2.24 -1.26 -4.97 114.28 113.05 1p6t n THR 84 Ca 0.20 -2.92 -0.09 0.00 -2.27 0.00 0.00 64.05 58.96 1p6t n THR 84 Cb 0.41 0.79 0.04 0.00 -2.10 0.00 0.00 70.33 69.47 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 -2.90 3.83 -2.16 0.00 0.00 -1.26 -4.97 120.51 113.05 1p6t n ALA 86 Ca -0.09 -3.42 -0.13 0.00 0.00 0.00 0.00 53.44 49.80 1p6t n ALA 86 Cb 0.56 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.36 -0.61 -0.05 0.00 0.00 -1.26 -4.84 120.51 113.39 1p6t n ALA 87 Ca 0.20 0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1p6t n ALA 87 Cb 0.80 -1.51 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 0.57 1.51 -0.42 0.00 0.00 -1.95 0.11 119.26 119.08 1p6t h ALA 89 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1p6t h ALA 89 Cb 0.79 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1p6t h ALA 89 CO 0.05 0.24 -0.17 -0.91 0.00 0.00 0.00 179.25 178.46 1p6t h ASN 90 N 1.01 0.81 0.35 0.00 4.21 -1.69 0.14 115.58 120.41 1p6t h ASN 90 Ca 0.50 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 1p6t h ASN 90 Cb 0.47 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1p6t h ASN 90 CO -0.26 0.97 -0.17 0.03 -1.29 0.00 0.00 177.43 176.71 1p6t h ARG 91 N 0.71 -0.45 -0.17 0.81 2.47 -0.05 -2.79 114.38 114.90 1p6t h ARG 91 Ca 0.11 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.80 1p6t h ARG 91 Cb 0.67 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1p6t h ARG 91 CO 0.05 -0.19 -0.15 -0.84 0.56 0.00 0.00 179.97 179.40 1p6t h ILE 92 N -0.66 1.20 0.31 2.04 3.07 -0.71 -2.81 117.51 119.94 1p6t h ILE 92 Ca -0.05 -0.87 -0.00 0.00 1.55 0.00 0.00 64.86 65.49 1p6t h ILE 92 Cb 0.47 1.23 -0.03 0.00 -0.27 0.00 0.00 36.82 38.22 1p6t h ILE 92 CO 0.08 0.27 -0.44 -0.08 -1.05 0.00 0.00 178.15 176.93 1p6t h GLU 93 N 0.26 -0.75 -0.11 0.16 4.22 -0.73 0.15 114.58 117.78 1p6t h GLU 93 Ca 0.05 0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.57 1p6t h GLU 93 Cb 0.42 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1p6t h GLU 93 CO 0.03 -0.50 0.23 0.87 -2.18 0.00 0.00 179.01 177.45 1p6t h LYS 94 N -0.78 0.00 0.00 1.92 6.56 -1.25 0.18 116.57 123.20 1p6t h LYS 94 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1p6t h LYS 94 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1p6t h LYS 94 CO -0.13 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 177.80 1p6t n ARG 95 N -3.36 0.00 -0.32 3.15 3.00 -0.65 -4.46 116.66 114.02 1p6t n ARG 95 Ca 0.00 0.39 0.12 0.00 -0.01 0.00 0.00 57.85 58.35 1p6t n ARG 95 Cb 0.32 -1.05 0.30 0.00 0.00 0.00 0.00 32.46 32.02 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 0.55 -0.54 0.55 3.38 0.29 -1.49 115.31 118.05 1p6t h LEU 96 Ca 0.00 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.27 1p6t h LEU 96 Cb 0.00 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 1p6t h LEU 96 CO 0.00 0.15 0.14 -3.20 0.09 0.00 0.00 178.44 175.62 1p6t n ASN 97 N -4.90 0.06 -2.84 -0.43 2.85 0.55 -3.20 115.26 107.33 1p6t n ASN 97 Ca 0.22 0.90 -0.03 0.00 -0.11 0.00 0.00 54.58 55.56 1p6t n ASN 97 Cb 0.58 -0.38 0.01 0.00 1.24 0.00 0.00 39.78 41.23 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 -5.12 0.93 0.00 1.20 0.00 -0.58 -4.41 119.74 111.77 1p6t s LYS 98 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 55.97 55.10 1p6t s LYS 98 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.99 1p6t s LYS 98 CO 0.42 -1.19 0.47 -0.89 0.00 0.00 0.00 175.35 174.17 1p6t n ILE 99 N 3.23 0.00 0.00 3.79 5.41 -1.11 -4.98 119.36 125.70 1p6t n ILE 99 Ca 0.16 0.88 0.00 0.00 1.00 0.00 0.00 62.75 64.79 1p6t n ILE 99 Cb 0.57 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1p6t n ILE 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p6t n GLU 100 N -0.90 0.00 -1.17 0.38 1.02 -1.26 -4.94 120.64 113.76 1p6t n GLU 100 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1p6t n GLU 100 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 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 2.25 3.46 3.46 0.62 0.00 -1.22 -4.36 105.19 109.40 1p6t n GLY 101 Ca 0.00 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.01 4.21 -0.05 1.61 1.01 -1.26 -0.37 120.40 125.54 1p6t s VAL 102 Ca 0.64 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 1p6t s VAL 102 Cb 0.34 -2.94 -0.15 0.00 0.00 0.00 0.00 36.38 33.62 1p6t s VAL 102 CO -0.07 0.38 0.86 0.00 0.00 0.00 0.00 175.10 176.27 1p6t h ALA 103 N 7.85 -0.26 -2.88 5.51 0.00 -0.67 -3.43 119.26 125.38 1p6t h ALA 103 Ca -0.37 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1p6t h ALA 103 Cb 1.17 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1p6t h ALA 103 CO 0.60 -0.33 -0.05 -0.80 0.00 0.00 0.00 179.25 178.67 1p6t s ASN 104 N -5.40 0.01 -0.48 0.00 0.01 -0.74 -4.59 114.94 103.75 1p6t s ASN 104 Ca -0.12 -0.97 0.05 0.00 -0.71 0.00 0.00 52.86 51.11 1p6t s ASN 104 Cb 0.01 0.64 0.23 0.00 0.41 0.00 0.00 41.25 42.53 1p6t s ASN 104 CO 0.45 -1.23 0.89 0.00 -1.51 0.00 0.00 177.10 175.70 1p6t n ALA 105 N -0.43 -1.76 -1.76 0.60 0.00 -1.26 -0.53 120.51 115.37 1p6t n ALA 105 Ca -0.02 -1.19 -0.40 0.00 0.00 0.00 0.00 53.44 51.83 1p6t n ALA 105 Cb 0.61 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1p6t n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p6t s PRO 106 N 0.70 4.45 0.06 0.00 0.04 -1.12 -4.68 135.00 134.45 1p6t s PRO 106 Ca 0.31 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.38 1p6t s PRO 106 Cb 0.18 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1p6t s PRO 106 CO -0.19 -0.00 -0.24 0.08 0.04 0.00 0.00 177.00 176.69 1p6t s VAL 107 N -1.20 1.95 0.25 -0.36 1.01 -1.26 -1.07 120.40 119.72 1p6t s VAL 107 Ca 0.48 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1p6t s VAL 107 Cb -0.34 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1p6t s VAL 107 CO 0.44 0.25 0.08 0.20 0.00 0.00 0.00 175.10 176.08 1p6t s ASN 108 N -1.35 4.98 -0.06 3.32 0.02 -0.01 -5.00 114.94 116.84 1p6t s ASN 108 Ca 0.10 -0.46 0.09 0.00 -1.02 0.00 0.00 52.86 51.57 1p6t s ASN 108 Cb -0.10 -1.10 0.14 0.00 0.02 0.00 0.00 41.25 40.21 1p6t s ASN 108 CO 0.03 -0.01 1.04 0.33 0.02 0.00 0.00 177.10 178.51 1p6t n PHE 109 N -0.95 0.00 0.00 2.20 -0.00 -1.26 -3.79 117.46 113.65 1p6t n PHE 109 Ca -0.07 -0.67 0.00 0.00 -0.00 0.00 0.00 57.45 56.71 1p6t n PHE 109 Cb 0.58 -0.09 0.00 0.00 -0.00 0.00 0.00 39.48 39.97 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1p6t n ALA 110 N -0.87 2.74 0.18 3.13 0.00 -1.26 -4.70 120.51 119.73 1p6t n ALA 110 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1p6t n ALA 110 Cb 0.48 0.32 0.19 0.00 0.00 0.00 0.00 19.45 20.44 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 -1.42 0.00 3.38 -2.01 -3.48 115.31 111.78 1p6t h LEU 111 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1p6t h LEU 111 Cb 0.65 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.48 1p6t h LEU 111 CO 0.00 0.35 -0.37 -0.62 0.09 0.00 0.00 178.44 177.89 1p6t n GLU 112 N -3.27 -3.71 -4.29 1.13 1.02 -1.26 -4.92 120.64 105.34 1p6t n GLU 112 Ca 0.02 0.43 -0.17 0.00 -0.02 0.00 0.00 57.16 57.42 1p6t n GLU 112 Cb 0.61 -4.23 -0.10 0.00 -0.02 0.00 0.00 31.44 27.69 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 1.45 -0.12 2.62 -4.23 -1.25 -1.01 115.64 109.93 1p6t s THR 113 Ca 0.13 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1p6t s THR 113 Cb -0.06 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.94 1p6t s THR 113 CO 0.37 -0.61 -0.15 0.54 -0.54 0.00 0.00 174.62 174.24 1p6t s VAL 114 N -2.90 1.52 0.12 2.29 0.11 0.39 -0.83 120.40 121.09 1p6t s VAL 114 Ca 0.17 -0.64 -0.24 0.00 -2.93 0.00 0.00 61.98 58.34 1p6t s VAL 114 Cb -0.01 -1.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.37 1p6t s VAL 114 CO 0.04 0.45 0.74 -0.89 -3.33 0.00 0.00 175.10 172.11 1p6t s THR 115 N 1.16 4.53 -0.08 5.04 2.01 -0.23 -0.82 115.64 127.24 1p6t s THR 115 Ca -0.03 1.62 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 1p6t s THR 115 Cb -0.14 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.30 1p6t s THR 115 CO -0.05 0.48 -0.03 0.54 -0.69 0.00 0.00 174.62 174.88 1p6t s VAL 116 N -0.81 0.61 -0.63 3.82 0.11 0.56 -2.77 120.40 121.29 1p6t s VAL 116 Ca 0.36 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.23 1p6t s VAL 116 Cb -0.22 -0.71 0.16 0.00 -1.53 0.00 0.00 36.38 34.08 1p6t s VAL 116 CO 0.24 0.30 0.58 -1.61 -3.33 0.00 0.00 175.10 171.27 1p6t s GLU 117 N 1.82 3.15 0.03 1.54 2.02 0.31 -0.45 118.70 127.13 1p6t s GLU 117 Ca 0.04 -1.96 -0.08 0.00 0.02 0.00 0.00 54.97 52.98 1p6t s GLU 117 Cb -0.12 -4.31 -0.00 0.00 0.10 0.00 0.00 34.13 29.79 1p6t s GLU 117 CO -0.06 -1.31 0.16 1.52 0.02 0.00 0.00 175.26 175.60 1p6t s TYR 118 N 1.11 0.09 -0.32 1.61 1.13 -1.15 0.05 117.35 119.87 1p6t s TYR 118 Ca 0.08 -0.31 -0.29 0.00 -1.41 0.00 0.00 57.07 55.14 1p6t s TYR 118 Cb -0.23 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 1p6t s TYR 118 CO -0.01 -0.39 1.29 1.21 -2.51 0.00 0.00 175.55 175.14 1p6t s ASN 119 N -1.99 6.66 -0.00 -0.18 2.47 0.50 -3.66 114.94 118.73 1p6t s ASN 119 Ca -0.06 1.14 -0.00 0.00 0.42 0.00 0.00 52.86 54.36 1p6t s ASN 119 Cb -0.02 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1p6t s ASN 119 CO -0.03 -1.10 2.03 -0.81 -3.72 0.00 0.00 177.10 173.46 1p6t n PRO 120 N 7.37 1.02 0.08 0.43 -0.04 -1.26 -2.96 135.00 139.64 1p6t n PRO 120 Ca 0.15 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1p6t n PRO 120 Cb 0.47 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 1.51 0.00 -0.30 0.54 4.76 -1.26 -4.83 118.16 118.58 1p6t n LYS 121 Ca 0.01 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.47 1p6t n LYS 121 Cb 0.51 -0.31 0.21 0.00 -1.84 0.00 0.00 35.03 33.60 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N 0.00 1.07 -4.82 1.97 3.07 -1.91 -3.44 114.58 110.51 1p6t h GLU 122 Ca 0.00 -0.06 -0.37 0.00 -0.50 0.00 0.00 59.36 58.43 1p6t h GLU 122 Cb 0.00 -0.24 -0.14 0.00 -0.84 0.00 0.00 28.75 27.53 1p6t h GLU 122 CO 0.00 0.71 -0.58 0.00 -1.40 0.00 0.00 179.01 177.74 1p6t s ALA 123 N -5.94 1.74 0.20 3.43 0.00 -1.16 -4.93 121.76 115.10 1p6t s ALA 123 Ca -0.12 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 1p6t s ALA 123 Cb 0.19 1.20 -0.02 0.00 0.00 0.00 0.00 23.12 24.49 1p6t s ALA 123 CO 0.80 -0.52 0.30 -1.12 0.00 0.00 0.00 175.76 175.21 1p6t s SER 124 N -3.32 0.04 0.59 0.00 0.01 -1.26 -4.21 113.70 105.56 1p6t s SER 124 Ca 0.37 -1.04 0.29 0.00 1.31 0.00 0.00 55.95 56.88 1p6t s SER 124 Cb 0.06 0.47 1.61 0.00 0.21 0.00 0.00 66.02 68.37 1p6t s SER 124 CO 0.16 -0.95 2.03 0.58 0.41 0.00 0.00 173.24 175.47 1p6t h VAL 125 N 2.48 0.40 -0.71 3.43 2.07 -1.99 0.22 116.25 122.16 1p6t h VAL 125 Ca -0.31 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1p6t h VAL 125 Cb 1.24 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1p6t h VAL 125 CO 0.46 0.00 0.40 0.28 0.02 0.00 0.00 177.57 178.72 1p6t h SER 126 N 0.00 0.88 -0.02 0.57 0.02 -1.98 0.19 113.55 113.21 1p6t h SER 126 Ca 0.12 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1p6t h SER 126 Cb 0.70 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1p6t h SER 126 CO -0.00 0.71 0.01 -0.78 -1.14 0.00 0.00 176.83 175.63 1p6t h ASP 127 N 0.97 0.03 -0.06 3.07 1.82 -0.96 0.55 116.42 121.84 1p6t h ASP 127 Ca 0.25 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1p6t h ASP 127 Cb 0.02 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 1p6t h ASP 127 CO -0.04 0.12 0.04 -0.07 -1.61 0.00 0.00 179.24 177.67 1p6t h LEU 128 N -0.06 0.07 0.04 2.28 3.38 -1.41 0.13 115.31 119.74 1p6t h LEU 128 Ca 0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1p6t h LEU 128 Cb 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1p6t h LEU 128 CO -0.00 0.05 -0.30 0.11 0.09 0.00 0.00 178.44 178.40 1p6t h LYS 129 N 0.07 -0.45 -0.67 1.13 1.57 -0.90 -0.77 116.57 116.55 1p6t h LYS 129 Ca 0.02 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1p6t h LYS 129 Cb -0.00 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.33 1p6t h LYS 129 CO -0.00 -0.30 0.27 1.49 -0.57 0.00 0.00 179.45 180.34 1p6t h GLU 130 N -0.47 0.44 0.45 3.15 4.22 0.02 0.30 114.58 122.69 1p6t h GLU 130 Ca 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 1p6t h GLU 130 Cb 0.54 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1p6t h GLU 130 CO -0.23 0.29 -0.25 0.00 -2.18 0.00 0.00 179.01 176.65 1p6t h ALA 131 N 1.45 -0.64 -0.35 2.92 0.00 -0.46 0.69 119.26 122.87 1p6t h ALA 131 Ca 0.34 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 131 Cb 0.44 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1p6t h ALA 131 CO -0.32 -0.87 -0.09 0.28 0.00 0.00 0.00 179.25 178.25 1p6t h VAL 132 N -0.65 1.23 0.24 0.00 2.07 -0.36 0.39 116.25 119.17 1p6t h VAL 132 Ca -0.05 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1p6t h VAL 132 Cb 0.52 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1p6t h VAL 132 CO 0.07 0.34 -0.20 0.44 0.02 0.00 0.00 177.57 178.25 1p6t h ASP 133 N 0.55 -0.51 -0.83 0.57 3.32 -0.24 0.08 116.42 119.36 1p6t h ASP 133 Ca 0.10 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1p6t h ASP 133 Cb 0.48 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1p6t h ASP 133 CO 0.03 -0.30 0.55 0.50 -1.72 0.00 0.00 179.24 178.30 1p6t h LYS 134 N -0.45 1.06 0.00 3.56 3.64 -0.38 0.19 116.57 124.20 1p6t h LYS 134 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1p6t h LYS 134 Cb 0.40 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1p6t h LYS 134 CO -0.02 0.70 0.00 -0.07 -2.27 0.00 0.00 179.45 177.79 1p6t h LEU 135 N 1.09 0.00 0.00 5.20 -0.00 -0.57 -3.47 115.31 117.57 1p6t h LEU 135 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 1p6t h LEU 135 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1p6t h LEU 135 CO -0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.97 1p6t n GLY 136 N -0.36 1.85 3.33 0.83 0.00 0.67 -5.05 105.19 106.47 1p6t n GLY 136 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1p6t n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 137 N -2.00 1.71 0.10 1.61 2.02 -0.34 -5.00 117.35 115.45 1p6t s TYR 137 Ca 0.00 -1.55 0.06 0.00 -0.37 0.00 0.00 57.07 55.21 1p6t s TYR 137 Cb 0.00 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1p6t s TYR 137 CO 0.00 -0.71 -0.15 -1.59 -1.57 0.00 0.00 175.55 171.52 1p6t s LYS 138 N -3.58 0.97 0.09 -0.62 0.00 -1.19 -2.94 119.74 112.48 1p6t s LYS 138 Ca 0.37 -1.13 0.02 0.00 0.00 0.00 0.00 55.97 55.22 1p6t s LYS 138 Cb 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 37.83 36.87 1p6t s LYS 138 CO 0.23 0.20 0.19 -0.51 0.00 0.00 0.00 175.35 175.46 1p6t s LEU 139 N -2.12 4.19 0.27 2.77 1.43 -1.26 -1.95 118.68 122.01 1p6t s LEU 139 Ca 0.05 0.15 0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1p6t s LEU 139 Cb -0.08 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1p6t s LEU 139 CO 0.03 0.14 -0.15 -0.54 0.23 0.00 0.00 176.35 176.05 1p6t s LYS 140 N -2.68 1.82 -0.19 1.70 -0.14 0.11 -4.91 119.74 115.45 1p6t s LYS 140 Ca 0.33 -1.68 -0.09 0.00 -1.36 0.00 0.00 55.97 53.18 1p6t s LYS 140 Cb -0.12 -1.87 -0.05 0.00 -1.68 0.00 0.00 37.83 34.12 1p6t s LYS 140 CO 0.26 0.34 0.11 -0.51 -0.76 0.00 0.00 175.35 174.79 1p6t s LEU 141 N -3.53 4.09 -1.47 3.17 1.02 -1.26 -0.50 118.68 120.20 1p6t s LEU 141 Ca 0.30 0.20 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 1p6t s LEU 141 Cb -0.05 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.14 1p6t s LEU 141 CO 0.16 0.20 2.37 0.29 0.02 0.00 0.00 176.35 179.39 1p6t n LYS 142 N 3.39 3.25 0.00 1.70 5.02 -0.80 -4.72 118.16 126.00 1p6t n LYS 142 Ca -0.17 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 1p6t n LYS 142 Cb 0.52 -3.09 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 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 3.67 1.29 2.55 0.72 0.00 -1.26 -4.67 105.19 107.49 1p6t n GLY 143 Ca 0.58 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 1p6t n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6t n GLU 144 N 0.00 -2.37 0.17 1.61 -0.58 -1.26 -4.49 120.64 113.72 1p6t n GLU 144 Ca 0.00 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1p6t n GLU 144 Cb 0.00 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.39 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 -3.10 0.00 -2.79 3.49 6.02 -1.26 -5.09 117.38 114.65 1p6t n GLN 145 Ca -0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.78 1p6t n GLN 145 Cb 0.64 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.91 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 -3.23 -7.97 -1.04 1.08 2.03 -1.26 -4.10 116.55 102.06 1p6t n ASP 146 Ca 0.00 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.26 1p6t n ASP 146 Cb 0.00 -5.25 -0.05 0.00 -0.72 0.00 0.00 41.12 35.10 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1p6t n SER 147 N 0.35 -4.47 -4.07 1.67 2.88 -1.26 -4.98 113.62 103.73 1p6t n SER 147 Ca 0.04 0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 57.52 1p6t n SER 147 Cb 0.19 -3.17 -0.13 0.00 -0.75 0.00 0.00 64.21 60.34 1p6t n SER 147 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1p6t s ILE 148 N -2.49 2.74 -0.19 2.46 1.01 -1.26 -5.05 121.20 118.43 1p6t s ILE 148 Ca 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 60.65 58.46 1p6t s ILE 148 Cb 0.00 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.63 1p6t s ILE 148 CO 0.00 -0.59 0.14 -0.70 0.00 0.00 0.00 174.94 173.79 1p6t s GLU 149 N 1.03 0.11 0.00 2.79 2.12 -1.26 -4.85 118.70 118.64 1p6t s GLU 149 Ca 0.08 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.43 1p6t s GLU 149 Cb -0.21 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.61 1p6t s GLU 149 CO -0.06 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 1p6t n GLY 150 N 5.29 0.96 0.00 -1.50 0.00 -1.26 -5.25 105.19 103.43 1p6t n GLY 150 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19