#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7t n SER 2 N 0.00 0.31 -4.56 1.61 7.64 -1.26 -4.93 113.62 112.43 1n7t n SER 2 Ca 0.00 -1.39 -0.43 0.00 1.01 0.00 0.00 58.87 58.05 1n7t n SER 2 Cb 0.00 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.69 1n7t n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1n7t n HIS 3 N -2.67 1.78 0.18 1.43 -0.00 -1.26 -4.83 115.22 109.85 1n7t n HIS 3 Ca 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.89 1n7t n HIS 3 Cb 0.31 -2.67 0.12 0.00 -0.00 0.00 0.00 29.99 27.75 1n7t n HIS 3 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 1n7t h MET 4 N 15.27 0.00 0.00 1.57 1.85 -2.09 -3.47 114.93 128.06 1n7t h MET 4 Ca -0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 1n7t h MET 4 Cb 1.26 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.29 1n7t h MET 4 CO 1.01 0.24 0.00 0.41 -0.40 0.00 0.00 176.91 178.18 1n7t n GLY 5 N 1.11 -2.92 3.82 1.39 0.00 -1.26 -4.98 105.19 102.35 1n7t n GLY 5 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1n7t n GLY 5 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n7t s HIS 6 N -0.76 2.84 0.00 1.61 4.02 -1.26 -5.10 115.29 116.64 1n7t s HIS 6 Ca 0.00 1.06 0.00 0.00 1.02 0.00 0.00 55.06 57.14 1n7t s HIS 6 Cb 0.00 -3.19 0.00 0.00 -1.02 0.00 0.00 32.58 28.37 1n7t s HIS 6 CO 0.00 -1.81 0.00 0.39 1.02 0.00 0.00 174.74 174.34 1n7t n GLU 7 N -3.43 2.89 -1.54 1.40 1.02 -1.26 -5.06 120.64 114.66 1n7t n GLU 7 Ca 0.07 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.75 1n7t n GLU 7 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.95 1n7t n GLU 7 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1n7t n LEU 8 N 0.00 2.81 0.00 -4.62 -0.00 -1.26 -4.84 117.00 109.09 1n7t n LEU 8 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1n7t n LEU 8 Cb 0.00 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 41.98 1n7t n LEU 8 CO 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 177.39 176.68 1n7t n ALA 9 N 11.03 0.00 -1.36 1.96 0.00 -1.26 -5.08 120.51 125.81 1n7t n ALA 9 Ca 0.34 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.25 1n7t n ALA 9 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1n7t n ALA 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n7t n LYS 10 N 0.00 0.35 -2.97 0.00 4.01 -1.26 -4.75 118.16 113.53 1n7t n LYS 10 Ca 0.00 0.08 -0.41 0.00 -0.51 0.00 0.00 58.31 57.47 1n7t n LYS 10 Cb 0.00 -1.85 -0.05 0.00 -0.51 0.00 0.00 35.03 32.62 1n7t n LYS 10 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1n7t s GLN 11 N 6.62 4.20 -0.18 1.97 0.74 -1.08 -4.94 119.66 126.98 1n7t s GLN 11 Ca 1.19 0.83 -0.09 0.00 0.05 0.00 0.00 55.36 57.33 1n7t s GLN 11 Cb -1.23 -3.62 -0.05 0.00 1.10 0.00 0.00 33.01 29.22 1n7t s GLN 11 CO 0.57 -0.40 0.12 -2.00 -0.55 0.00 0.00 175.29 173.02 1n7t s GLU 12 N 2.45 4.04 0.16 1.67 2.56 -1.26 -2.14 118.70 126.17 1n7t s GLU 12 Ca 0.33 -0.24 -0.12 0.00 0.00 0.00 0.00 54.97 54.94 1n7t s GLU 12 Cb -0.16 -3.34 0.01 0.00 2.00 0.00 0.00 34.13 32.64 1n7t s GLU 12 CO 0.09 0.36 0.35 0.96 -0.56 0.00 0.00 175.26 176.46 1n7t s ILE 13 N 0.17 0.07 0.34 -3.70 -0.00 -0.86 -5.03 121.20 112.18 1n7t s ILE 13 Ca 0.08 -1.09 0.09 0.00 -0.00 0.00 0.00 60.65 59.73 1n7t s ILE 13 Cb -0.11 -1.60 -0.06 0.00 -0.00 0.00 0.00 42.46 40.69 1n7t s ILE 13 CO -0.01 -0.31 -0.01 -0.13 -0.00 0.00 0.00 174.94 174.48 1n7t s ARG 14 N -3.90 2.03 0.10 0.37 0.52 -1.26 -0.55 118.95 116.25 1n7t s ARG 14 Ca 0.11 -1.78 -0.08 0.00 -0.52 0.00 0.00 55.73 53.47 1n7t s ARG 14 Cb 0.02 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 1n7t s ARG 14 CO -0.04 0.14 0.18 0.14 0.02 0.00 0.00 175.30 175.74 1n7t s VAL 15 N -2.53 0.14 -0.10 3.52 -7.23 0.89 -4.92 120.40 110.17 1n7t s VAL 15 Ca 0.34 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 59.20 1n7t s VAL 15 Cb 0.00 -1.47 0.02 0.00 0.56 0.00 0.00 36.38 35.49 1n7t s VAL 15 CO 0.19 -0.62 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.71 1n7t s ARG 16 N -3.89 1.25 -0.04 4.82 6.06 -1.26 -1.64 118.95 124.24 1n7t s ARG 16 Ca 0.08 -0.15 0.04 0.00 -2.50 0.00 0.00 55.73 53.20 1n7t s ARG 16 Cb 0.05 -1.37 -0.00 0.00 0.06 0.00 0.00 34.95 33.68 1n7t s ARG 16 CO -0.08 -0.26 -0.18 0.08 -2.50 0.00 0.00 175.30 172.36 1n7t s VAL 17 N 1.71 1.46 -0.18 7.11 1.01 -0.53 -4.95 120.40 126.02 1n7t s VAL 17 Ca 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1n7t s VAL 17 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1n7t s VAL 17 CO -0.07 0.42 0.00 -1.61 0.00 0.00 0.00 175.10 173.85 1n7t s GLU 18 N 0.00 3.73 -0.29 2.72 8.01 -1.26 0.52 118.70 132.13 1n7t s GLU 18 Ca -0.03 -0.47 -0.29 0.00 0.01 0.00 0.00 54.97 54.19 1n7t s GLU 18 Cb -0.11 -3.06 -0.02 0.00 -4.31 0.00 0.00 34.13 26.63 1n7t s GLU 18 CO 0.02 0.16 1.62 0.21 0.01 0.00 0.00 175.26 177.28 1n7t s LYS 19 N 0.62 3.62 -0.36 1.61 2.47 0.42 -4.74 119.74 123.37 1n7t s LYS 19 Ca -0.00 1.43 -0.06 0.00 -1.56 0.00 0.00 55.97 55.79 1n7t s LYS 19 Cb -0.14 -4.08 0.20 0.00 -1.46 0.00 0.00 37.83 32.36 1n7t s LYS 19 CO 0.02 -1.51 1.03 0.34 0.16 0.00 0.00 175.35 175.39 1n7t s ASP 20 N 4.67 -0.46 0.25 1.43 2.15 -1.26 -4.73 116.67 118.73 1n7t s ASP 20 Ca 0.71 -0.44 0.18 0.00 0.43 0.00 0.00 52.55 53.44 1n7t s ASP 20 Cb -0.22 0.60 0.07 0.00 -0.30 0.00 0.00 42.92 43.07 1n7t s ASP 20 CO 0.31 -0.03 1.28 1.55 -0.17 0.00 0.00 175.17 178.11 1n7t h PRO 21 N 4.77 0.00 0.00 4.34 0.14 -2.05 -3.49 132.00 135.70 1n7t h PRO 21 Ca -0.01 0.00 -0.41 0.00 0.14 0.00 0.00 66.00 65.72 1n7t h PRO 21 Cb 1.18 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 32.22 1n7t h PRO 21 CO -0.08 0.27 -0.38 0.39 0.14 0.00 0.00 178.00 178.33 1n7t n GLU 22 N -3.04 0.42 0.17 0.86 -0.58 -1.26 -5.08 120.64 112.13 1n7t n GLU 22 Ca -0.00 -2.77 -0.14 0.00 -0.42 0.00 0.00 57.16 53.83 1n7t n GLU 22 Cb 0.68 2.05 -0.08 0.00 -0.57 0.00 0.00 31.44 33.53 1n7t n GLU 22 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1n7t h LEU 23 N 0.00 -0.36 0.00 -4.62 4.07 -1.95 -3.42 115.31 109.03 1n7t h LEU 23 Ca -0.21 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1n7t h LEU 23 Cb 0.99 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1n7t h LEU 23 CO 0.32 -0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.25 1n7t n GLY 24 N -0.49 1.71 3.88 0.83 0.00 -1.26 -4.06 105.19 105.80 1n7t n GLY 24 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1n7t n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n7t s PHE 25 N -2.00 0.09 0.18 1.61 -0.12 -1.26 -3.64 117.98 112.84 1n7t s PHE 25 Ca 0.00 -0.53 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 1n7t s PHE 25 Cb 0.00 0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 43.07 1n7t s PHE 25 CO 0.00 -1.02 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.55 1n7t s SER 26 N -3.39 1.81 0.14 1.98 1.04 -1.20 -5.04 113.70 109.04 1n7t s SER 26 Ca 0.22 -1.10 0.07 0.00 0.48 0.00 0.00 55.95 55.61 1n7t s SER 26 Cb -0.03 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1n7t s SER 26 CO 0.06 -0.41 -0.16 0.27 0.98 0.00 0.00 173.24 173.99 1n7t s ILE 27 N -3.37 1.55 0.17 -1.02 -4.36 -1.26 -3.44 121.20 109.48 1n7t s ILE 27 Ca 0.22 -1.81 -0.06 0.00 -0.26 0.00 0.00 60.65 58.74 1n7t s ILE 27 Cb 0.04 -1.68 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 1n7t s ILE 27 CO 0.04 -0.37 0.23 -0.55 0.24 0.00 0.00 174.94 174.53 1n7t s SER 28 N -2.55 0.10 0.00 4.36 0.15 -0.33 -4.89 113.70 110.55 1n7t s SER 28 Ca 0.12 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1n7t s SER 28 Cb -0.05 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1n7t s SER 28 CO 0.05 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1n7t n GLY 29 N -0.21 0.26 0.00 9.45 0.00 -1.13 -1.40 105.19 112.16 1n7t n GLY 29 Ca -0.05 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1n7t n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7t n GLY 30 N 0.00 2.52 3.59 -0.02 0.00 -0.21 -4.01 105.19 107.06 1n7t n GLY 30 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1n7t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7t s VAL 31 N -2.30 4.10 0.00 1.61 1.01 -0.45 -3.22 120.40 121.15 1n7t s VAL 31 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1n7t s VAL 31 Cb 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1n7t s VAL 31 CO 0.00 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.54 1n7t n GLY 32 N 4.97 0.82 0.00 4.51 0.00 -1.26 -4.43 105.19 109.80 1n7t n GLY 32 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1n7t n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7t n GLY 33 N -2.00 1.10 0.17 -0.02 0.00 -1.20 -4.96 105.19 98.28 1n7t n GLY 33 Ca 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1n7t n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n7t h ARG 34 N 0.00 0.00 0.00 1.61 3.08 -1.87 -3.49 114.38 113.71 1n7t h ARG 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n7t h ARG 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n7t h ARG 34 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1n7t n GLY 35 N 1.18 -2.72 3.13 0.04 0.00 -1.26 -4.95 105.19 100.61 1n7t n GLY 35 Ca 0.04 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1n7t n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7t s ASN 36 N -1.94 0.93 -0.07 1.61 2.20 -1.26 -2.85 114.94 113.55 1n7t s ASN 36 Ca 0.00 -0.90 0.06 0.00 -0.94 0.00 0.00 52.86 51.08 1n7t s ASN 36 Cb 0.00 0.10 0.31 0.00 -2.00 0.00 0.00 41.25 39.67 1n7t s ASN 36 CO 0.00 -0.44 1.05 -0.81 -2.94 0.00 0.00 177.10 173.96 1n7t n PRO 37 N 0.33 2.35 -0.12 3.55 -0.04 -1.26 -3.96 135.00 135.85 1n7t n PRO 37 Ca -0.15 -1.21 -0.18 0.00 -0.04 0.00 0.00 63.50 61.93 1n7t n PRO 37 Cb 0.59 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1n7t n PRO 37 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n7t n PHE 38 N 0.27 0.00 -4.52 0.54 3.01 -1.26 -4.97 117.46 110.53 1n7t n PHE 38 Ca 0.11 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.34 1n7t n PHE 38 Cb 0.54 -0.91 -0.16 0.00 -0.01 0.00 0.00 39.48 38.94 1n7t n PHE 38 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1n7t s ARG 39 N -2.47 1.41 -0.02 -1.08 1.81 -1.25 -5.05 118.95 112.29 1n7t s ARG 39 Ca -0.32 -0.37 -0.14 0.00 -1.72 0.00 0.00 55.73 53.18 1n7t s ARG 39 Cb 0.09 -1.22 -0.33 0.00 -0.45 0.00 0.00 34.95 33.04 1n7t s ARG 39 CO 0.54 0.06 0.80 -1.00 -0.68 0.00 0.00 175.30 175.02 1n7t h PRO 40 N 6.76 0.45 -0.02 3.54 0.13 -1.94 -3.37 132.00 137.55 1n7t h PRO 40 Ca -0.33 -0.77 0.00 0.00 -0.87 0.00 0.00 66.00 64.04 1n7t h PRO 40 Cb 1.18 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1n7t h PRO 40 CO 0.48 1.37 -0.42 -0.25 -0.23 0.00 0.00 178.00 178.94 1n7t n ASP 41 N -3.69 2.14 -4.65 1.44 8.00 -1.26 -4.92 116.55 113.62 1n7t n ASP 41 Ca -0.21 -1.57 -0.40 0.00 0.71 0.00 0.00 54.79 53.32 1n7t n ASP 41 Cb 1.07 0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 42.53 1n7t n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n7t s ASP 42 N -2.42 6.59 -0.64 -2.24 -1.08 -1.26 -4.96 116.67 110.65 1n7t s ASP 42 Ca 0.20 0.71 -0.01 0.00 -0.52 0.00 0.00 52.55 52.93 1n7t s ASP 42 Cb 0.18 -2.32 0.44 0.00 -1.46 0.00 0.00 42.92 39.77 1n7t s ASP 42 CO 0.54 -0.26 1.95 -0.90 0.52 0.00 0.00 175.17 177.02 1n7t n ASP 43 N 5.13 7.40 -2.23 -0.34 5.68 -1.26 -4.82 116.55 126.10 1n7t n ASP 43 Ca -0.03 -3.79 -0.02 0.00 -0.50 0.00 0.00 54.79 50.46 1n7t n ASP 43 Cb 0.50 -0.92 0.01 0.00 -1.14 0.00 0.00 41.12 39.57 1n7t n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n7t n GLY 44 N -0.87 1.76 3.44 6.12 0.00 -1.26 -3.17 105.19 111.21 1n7t n GLY 44 Ca 0.60 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1n7t n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n7t s ILE 45 N 0.61 3.68 0.05 -0.61 -1.09 -1.26 -1.04 121.20 121.54 1n7t s ILE 45 Ca 0.05 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 1n7t s ILE 45 Cb -0.00 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1n7t s ILE 45 CO 0.03 0.48 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.69 1n7t s PHE 46 N 0.62 1.43 -1.24 3.97 0.40 -0.50 -1.51 117.98 121.15 1n7t s PHE 46 Ca -0.03 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1n7t s PHE 46 Cb -0.15 -0.83 0.14 0.00 0.51 0.00 0.00 43.02 42.69 1n7t s PHE 46 CO 0.02 0.07 1.55 0.28 0.70 0.00 0.00 175.22 177.85 1n7t n VAL 47 N 1.68 4.16 -0.32 -0.44 0.31 -1.23 -1.19 118.33 121.31 1n7t n VAL 47 Ca -0.19 -4.52 -0.02 0.00 -0.01 0.00 0.00 64.34 59.61 1n7t n VAL 47 Cb 0.54 -2.43 0.01 0.00 -0.91 0.00 0.00 33.84 31.05 1n7t n VAL 47 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1n7t n THR 48 N 5.09 -0.45 -3.77 2.52 5.66 -1.22 -1.28 114.28 120.84 1n7t n THR 48 Ca 0.41 1.91 -0.09 0.00 -3.05 0.00 0.00 64.05 63.24 1n7t n THR 48 Cb 0.43 -2.50 0.03 0.00 -1.55 0.00 0.00 70.33 66.75 1n7t n THR 48 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1n7t n ARG 49 N -5.16 1.10 -4.00 1.09 1.85 -1.26 -4.11 116.66 106.17 1n7t n ARG 49 Ca 0.07 -2.14 -0.12 0.00 -1.00 0.00 0.00 57.85 54.66 1n7t n ARG 49 Cb 0.30 2.68 -0.12 0.00 -1.05 0.00 0.00 32.46 34.27 1n7t n ARG 49 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1n7t s VAL 50 N -2.13 0.22 -0.02 8.89 1.01 -1.26 -3.24 120.40 123.88 1n7t s VAL 50 Ca 0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1n7t s VAL 50 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1n7t s VAL 50 CO 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 175.10 174.95 1n7t n GLN 51 N 2.21 0.05 -2.67 2.72 6.02 -1.24 -4.94 117.38 119.52 1n7t n GLN 51 Ca -0.19 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.40 1n7t n GLN 51 Cb 0.57 -0.49 -0.02 0.00 1.02 0.00 0.00 30.24 31.31 1n7t n GLN 51 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1n7t s PRO 52 N -1.22 3.89 -1.30 -1.09 0.04 -1.26 -4.94 135.00 129.13 1n7t s PRO 52 Ca -0.03 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.62 1n7t s PRO 52 Cb 0.00 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 1n7t s PRO 52 CO 0.04 -1.07 2.15 0.39 0.04 0.00 0.00 177.00 178.55 1n7t n GLU 53 N 7.14 2.54 0.00 4.56 1.02 -1.26 -4.21 120.64 130.44 1n7t n GLU 53 Ca 0.11 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 1n7t n GLU 53 Cb 0.48 -3.21 0.00 0.00 -0.02 0.00 0.00 31.44 28.68 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n7t n GLY 54 N 4.25 -0.63 0.00 0.62 0.00 -1.26 -4.85 105.19 103.31 1n7t n GLY 54 Ca 0.51 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1n7t n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n7t n PRO 55 N -2.28 0.00 -1.94 1.61 -0.04 -1.26 -3.85 135.00 127.24 1n7t n PRO 55 Ca 0.00 0.44 -0.35 0.00 -0.04 0.00 0.00 63.50 63.55 1n7t n PRO 55 Cb 0.00 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1n7t n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n7t n ALA 56 N -1.77 6.06 -0.06 0.55 0.00 -1.26 -4.67 120.51 119.36 1n7t n ALA 56 Ca 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 53.44 49.40 1n7t n ALA 56 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.93 1n7t n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n7t h SER 57 N 2.66 0.00 -0.14 0.00 4.64 -1.82 -3.32 113.55 115.57 1n7t h SER 57 Ca 0.50 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1n7t h SER 57 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1n7t h SER 57 CO 1.29 0.60 0.00 1.17 -0.87 0.00 0.00 176.83 179.02 1n7t n LYS 58 N -4.72 1.62 -0.04 4.77 3.00 -1.26 -4.38 118.16 117.15 1n7t n LYS 58 Ca -0.03 -0.93 -0.03 0.00 -0.00 0.00 0.00 58.31 57.32 1n7t n LYS 58 Cb 0.10 -1.38 -0.01 0.00 0.00 0.00 0.00 35.03 33.74 1n7t n LYS 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1n7t n LEU 59 N 0.16 0.94 -4.88 3.14 7.99 -1.26 -4.99 117.00 118.11 1n7t n LEU 59 Ca 0.16 0.38 -0.34 0.00 -0.01 0.00 0.00 56.01 56.20 1n7t n LEU 59 Cb 0.29 -0.67 -0.05 0.00 -0.11 0.00 0.00 43.42 42.87 1n7t n LEU 59 CO 0.12 -0.46 -0.18 -0.76 -1.51 0.00 0.00 177.39 174.61 1n7t s LEU 60 N -6.44 4.28 -0.04 2.23 1.43 -1.25 -5.00 118.68 113.89 1n7t s LEU 60 Ca -0.09 0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1n7t s LEU 60 Cb 0.01 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1n7t s LEU 60 CO 0.14 0.28 0.00 0.00 0.23 0.00 0.00 176.35 177.00 1n7t s GLN 61 N -1.81 2.89 0.18 1.70 -2.07 -1.26 -4.76 119.66 114.54 1n7t s GLN 61 Ca 0.25 -0.51 -0.33 0.00 -1.82 0.00 0.00 55.36 52.95 1n7t s GLN 61 Cb -0.12 -2.73 -0.14 0.00 -1.09 0.00 0.00 33.01 28.92 1n7t s GLN 61 CO 0.16 0.66 1.53 -2.30 -1.32 0.00 0.00 175.29 174.02 1n7t n PRO 62 N 1.74 2.09 -1.93 9.60 -0.02 -1.26 -2.70 135.00 142.52 1n7t n PRO 62 Ca -0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1n7t n PRO 62 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1n7t n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n7t n GLY 63 N 3.04 0.61 0.00 -1.23 0.00 -0.40 -5.01 105.19 102.21 1n7t n GLY 63 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1n7t n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n7t n ASP 64 N 1.72 0.00 -3.76 1.61 -0.08 -1.10 -4.83 116.55 110.11 1n7t n ASP 64 Ca 0.00 -0.95 -0.18 0.00 -1.51 0.00 0.00 54.79 52.15 1n7t n ASP 64 Cb 0.46 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.75 1n7t n ASP 64 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1n7t s LYS 65 N -2.40 0.18 -0.24 -0.67 2.20 -1.25 -3.49 119.74 114.08 1n7t s LYS 65 Ca 0.00 0.18 -0.16 0.00 -0.36 0.00 0.00 55.97 55.64 1n7t s LYS 65 Cb 0.00 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 1n7t s LYS 65 CO 0.00 -0.22 0.41 0.42 -0.36 0.00 0.00 175.35 175.60 1n7t s ILE 66 N 1.49 5.16 -0.19 5.43 1.01 -0.57 -2.26 121.20 131.28 1n7t s ILE 66 Ca -0.03 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.37 1n7t s ILE 66 Cb -0.13 -3.74 -0.15 0.00 0.01 0.00 0.00 42.46 38.45 1n7t s ILE 66 CO -0.03 0.19 -0.10 -0.38 0.00 0.00 0.00 174.94 174.62 1n7t n ILE 67 N 4.75 1.13 -3.78 2.92 2.08 -1.07 -4.54 119.36 120.86 1n7t n ILE 67 Ca -0.07 -0.51 -0.13 0.00 0.56 0.00 0.00 62.75 62.59 1n7t n ILE 67 Cb 0.51 -1.01 -0.09 0.00 -0.75 0.00 0.00 39.64 38.30 1n7t n ILE 67 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1n7t s GLN 68 N -2.40 0.63 -0.11 0.38 -0.44 -1.24 -1.09 119.66 115.39 1n7t s GLN 68 Ca -0.21 -0.19 -0.04 0.00 -2.50 0.00 0.00 55.36 52.42 1n7t s GLN 68 Cb 0.06 0.28 0.06 0.00 -1.64 0.00 0.00 33.01 31.77 1n7t s GLN 68 CO 0.52 -0.17 0.23 0.00 0.50 0.00 0.00 175.29 176.37 1n7t s ALA 69 N -1.26 -0.44 -1.53 1.58 0.00 -0.14 -1.07 121.76 118.90 1n7t s ALA 69 Ca -0.13 0.84 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1n7t s ALA 69 Cb -0.05 -0.87 0.14 0.00 0.00 0.00 0.00 23.12 22.34 1n7t s ALA 69 CO 0.04 -0.51 0.64 0.09 0.00 0.00 0.00 175.76 176.02 1n7t n ASN 70 N 5.07 -3.07 0.00 0.00 4.13 -0.95 0.32 115.26 120.75 1n7t n ASN 70 Ca -0.11 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1n7t n ASN 70 Cb 0.50 -2.55 0.00 0.00 -1.54 0.00 0.00 39.78 36.20 1n7t n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n7t n GLY 71 N -1.23 0.60 3.29 7.41 0.00 -1.26 -5.04 105.19 108.96 1n7t n GLY 71 Ca 0.06 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1n7t n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n7t s TYR 72 N -2.00 2.91 0.20 1.61 2.02 0.15 -5.10 117.35 117.14 1n7t s TYR 72 Ca 0.00 -0.98 -0.30 0.00 -0.37 0.00 0.00 57.07 55.42 1n7t s TYR 72 Cb 0.00 -2.03 -0.08 0.00 -0.40 0.00 0.00 41.96 39.44 1n7t s TYR 72 CO 0.00 -0.52 1.19 -1.54 -1.57 0.00 0.00 175.55 173.11 1n7t s SER 73 N 1.25 7.10 -0.28 2.29 1.04 -1.26 -0.96 113.70 122.87 1n7t s SER 73 Ca 0.03 2.25 0.12 0.00 0.48 0.00 0.00 55.95 58.83 1n7t s SER 73 Cb -0.14 -2.61 0.67 0.00 0.10 0.00 0.00 66.02 64.04 1n7t s SER 73 CO -0.03 -0.35 1.67 0.49 0.98 0.00 0.00 173.24 176.00 1n7t n PHE 74 N 2.30 1.89 -3.73 5.02 3.01 -0.25 -4.90 117.46 120.80 1n7t n PHE 74 Ca 0.04 -1.13 -0.37 0.00 1.01 0.00 0.00 57.45 56.99 1n7t n PHE 74 Cb 0.45 -0.56 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 1n7t n PHE 74 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1n7t s ILE 75 N -2.97 5.32 -1.38 4.37 -1.09 -1.26 -4.24 121.20 119.95 1n7t s ILE 75 Ca 0.51 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1n7t s ILE 75 Cb 0.41 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1n7t s ILE 75 CO 0.11 0.60 0.00 0.59 -1.23 0.00 0.00 174.94 175.01 1n7t n ASN 76 N 1.95 -5.49 -4.96 3.58 4.13 -1.26 -4.97 115.26 108.24 1n7t n ASN 76 Ca -0.18 0.32 -0.22 0.00 1.68 0.00 0.00 54.58 56.19 1n7t n ASN 76 Cb 0.54 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.65 1n7t n ASN 76 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1n7t s ILE 77 N -2.18 4.23 0.21 2.41 -4.36 -1.26 -4.91 121.20 115.35 1n7t s ILE 77 Ca 0.00 -0.63 -0.09 0.00 -0.26 0.00 0.00 60.65 59.67 1n7t s ILE 77 Cb 0.00 -3.53 -0.07 0.00 1.25 0.00 0.00 42.46 40.11 1n7t s ILE 77 CO 0.00 -0.32 0.52 -1.61 0.24 0.00 0.00 174.94 173.76 1n7t s GLU 78 N -4.41 3.78 0.20 0.37 2.02 -1.26 -1.34 118.70 118.06 1n7t s GLU 78 Ca 0.46 0.22 -0.17 0.00 0.02 0.00 0.00 54.97 55.50 1n7t s GLU 78 Cb -0.10 -2.70 0.19 0.00 0.10 0.00 0.00 34.13 31.63 1n7t s GLU 78 CO 0.36 0.35 1.60 1.25 0.02 0.00 0.00 175.26 178.84 1n7t h HIS 79 N 2.66 -0.61 -0.27 1.61 -0.00 -1.80 0.12 115.15 116.85 1n7t h HIS 79 Ca -0.47 0.06 0.08 0.00 -0.00 0.00 0.00 60.37 60.04 1n7t h HIS 79 Cb 1.17 0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 28.93 1n7t h HIS 79 CO 0.62 -0.33 0.25 0.78 -0.00 0.00 0.00 177.93 179.25 1n7t h GLY 80 N -0.08 0.00 0.92 5.26 0.00 -1.95 -1.33 103.07 105.89 1n7t h GLY 80 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.43 1n7t h GLY 80 CO -0.67 0.00 -0.63 -1.61 0.00 0.00 0.00 176.54 173.62 1n7t h GLN 81 N 0.00 0.54 -0.60 4.80 -0.00 -1.17 -0.66 115.11 118.01 1n7t h GLN 81 Ca 0.13 -0.50 -0.04 0.00 -0.00 0.00 0.00 58.65 58.25 1n7t h GLN 81 Cb 0.63 0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 1n7t h GLN 81 CO -0.00 1.13 0.24 0.00 0.00 0.00 0.00 178.83 180.19 1n7t h ALA 82 N 0.42 0.78 -0.13 3.38 0.00 -0.93 0.13 119.26 122.92 1n7t h ALA 82 Ca -0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1n7t h ALA 82 Cb 1.30 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1n7t h ALA 82 CO 0.13 0.40 -0.73 0.28 0.00 0.00 0.00 179.25 179.33 1n7t h VAL 83 N 0.84 1.30 -0.28 0.00 2.07 -1.44 -2.82 116.25 115.91 1n7t h VAL 83 Ca 0.20 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1n7t h VAL 83 Cb 0.21 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1n7t h VAL 83 CO -0.02 0.61 0.14 -1.28 0.02 0.00 0.00 177.57 177.05 1n7t h SER 84 N 0.41 0.36 -0.02 0.57 0.87 -0.98 -0.99 113.55 113.77 1n7t h SER 84 Ca -0.06 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1n7t h SER 84 Cb 1.37 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1n7t h SER 84 CO 0.15 0.38 0.01 -0.07 -0.53 0.00 0.00 176.83 176.77 1n7t h LEU 85 N 0.33 0.02 -0.94 2.23 3.38 -1.03 -1.19 115.31 118.10 1n7t h LEU 85 Ca 0.10 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1n7t h LEU 85 Cb 0.11 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1n7t h LEU 85 CO -0.01 0.07 0.13 -0.07 0.09 0.00 0.00 178.44 178.65 1n7t h LEU 86 N -0.03 0.84 -0.32 1.67 3.38 -1.45 -2.76 115.31 116.64 1n7t h LEU 86 Ca 0.01 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.63 1n7t h LEU 86 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1n7t h LEU 86 CO -0.00 0.83 -0.52 0.11 0.09 0.00 0.00 178.44 178.95 1n7t h LYS 87 N 0.86 0.88 0.00 1.13 1.79 -1.04 -3.24 116.57 116.95 1n7t h LYS 87 Ca 0.18 -0.54 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 1n7t h LYS 87 Cb 0.33 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1n7t h LYS 87 CO 0.00 1.18 -0.43 0.00 -1.08 0.00 0.00 179.45 179.12 1n7t h THR 88 N 0.68 1.04 -1.71 -0.16 1.03 -1.13 -3.46 112.91 109.20 1n7t h THR 88 Ca 0.02 -1.65 -0.44 0.00 -0.01 0.00 0.00 66.41 64.34 1n7t h THR 88 Cb 1.13 1.96 0.23 0.00 -1.07 0.00 0.00 68.15 70.40 1n7t h THR 88 CO 0.12 0.43 -1.67 0.49 -0.01 0.00 0.00 175.52 174.87 1n7t n PHE 89 N -3.63 -1.42 -0.05 0.00 3.72 -1.05 -5.04 117.46 109.98 1n7t n PHE 89 Ca -0.01 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 1n7t n PHE 89 Cb 0.53 -1.47 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 1n7t n PHE 89 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1n7t n GLN 90 N -0.11 3.63 0.00 -1.08 3.00 -1.26 -5.05 117.38 116.51 1n7t n GLN 90 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1n7t n GLN 90 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.88 1n7t n GLN 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1n7t n ASN 91 N 0.00 0.00 -4.68 1.08 3.02 -1.26 -4.68 115.26 108.74 1n7t n ASN 91 Ca 0.00 0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 54.62 1n7t n ASN 91 Cb 0.00 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 1n7t n ASN 91 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n7t s THR 92 N -1.02 4.25 -0.17 3.41 -4.23 -1.26 -0.44 115.64 116.18 1n7t s THR 92 Ca 0.00 1.55 0.01 0.00 -1.18 0.00 0.00 61.69 62.08 1n7t s THR 92 Cb 0.00 -4.00 0.02 0.00 1.34 0.00 0.00 72.50 69.86 1n7t s THR 92 CO 0.00 -0.05 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.15 1n7t s VAL 93 N 2.66 1.95 -0.45 2.29 1.01 0.18 -4.97 120.40 123.07 1n7t s VAL 93 Ca 0.56 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 1n7t s VAL 93 Cb -0.24 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.43 1n7t s VAL 93 CO 0.20 0.52 0.36 -0.70 0.00 0.00 0.00 175.10 175.48 1n7t s GLU 94 N 1.26 2.98 0.28 2.72 -6.30 -1.26 -1.45 118.70 116.92 1n7t s GLU 94 Ca 0.03 -1.21 0.08 0.00 -2.50 0.00 0.00 54.97 51.37 1n7t s GLU 94 Cb -0.13 -4.07 -0.03 0.00 0.00 0.00 0.00 34.13 29.89 1n7t s GLU 94 CO -0.11 -0.92 0.20 -0.51 0.02 0.00 0.00 175.26 173.94 1n7t s LEU 95 N 1.67 3.65 -0.07 2.70 1.02 -0.65 -2.24 118.68 124.76 1n7t s LEU 95 Ca 0.05 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1n7t s LEU 95 Cb -0.22 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1n7t s LEU 95 CO 0.08 -0.14 -0.20 -0.63 0.02 0.00 0.00 176.35 175.49 1n7t s ILE 96 N -2.22 1.67 0.41 -0.59 1.01 -0.23 -0.07 121.20 121.18 1n7t s ILE 96 Ca 0.35 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1n7t s ILE 96 Cb -0.07 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1n7t s ILE 96 CO 0.25 0.47 0.07 0.27 0.00 0.00 0.00 174.94 176.00 1n7t s ILE 97 N 0.26 0.98 -0.09 2.92 -4.36 0.29 -2.59 121.20 118.60 1n7t s ILE 97 Ca -0.12 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.13 1n7t s ILE 97 Cb -0.15 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.13 1n7t s ILE 97 CO 0.05 0.00 0.35 -0.69 0.24 0.00 0.00 174.94 174.90 1n7t s VAL 98 N -3.11 0.02 -0.25 8.37 1.01 -0.96 -2.03 120.40 123.46 1n7t s VAL 98 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1n7t s VAL 98 Cb 0.04 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1n7t s VAL 98 CO 0.12 -0.10 -0.03 -0.13 0.00 0.00 0.00 175.10 174.96 1n7t s ARG 99 N -0.41 3.07 0.70 2.72 3.00 -0.91 -3.78 118.95 123.34 1n7t s ARG 99 Ca -0.05 -0.83 -0.15 0.00 0.00 0.00 0.00 55.73 54.70 1n7t s ARG 99 Cb -0.03 -3.05 0.02 0.00 0.00 0.00 0.00 34.95 31.89 1n7t s ARG 99 CO 0.02 -0.33 1.16 -1.21 0.00 0.00 0.00 175.30 174.94 1n7t s GLU 100 N 1.41 2.42 0.09 3.54 2.02 -1.26 -2.64 118.70 124.27 1n7t s GLU 100 Ca 0.03 1.58 0.08 0.00 0.02 0.00 0.00 54.97 56.68 1n7t s GLU 100 Cb -0.16 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1n7t s GLU 100 CO -0.03 -1.58 -0.16 0.14 0.02 0.00 0.00 175.26 173.64 1n7t s VAL 101 N -2.16 2.95 -0.11 2.63 -7.23 -1.26 -4.93 120.40 110.28 1n7t s VAL 101 Ca 0.71 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1n7t s VAL 101 Cb -0.25 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1n7t s VAL 101 CO 0.44 0.17 1.12 -0.94 -0.31 0.00 0.00 175.10 175.57 1n7t s SER 102 N -1.96 7.12 0.00 4.85 1.04 -1.26 -4.96 113.70 118.54 1n7t s SER 102 Ca 0.18 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1n7t s SER 102 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1n7t s SER 102 CO 0.09 -0.56 0.17 -1.20 0.98 0.00 0.00 173.24 172.72