#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssn n SER 2 N 0.00 0.00 0.01 4.04 3.41 -1.18 -4.64 113.62 115.27 1ssn n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ssn n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ssn n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ssn n SER 3 N -0.34 -0.16 -3.57 4.04 3.41 -1.26 -3.00 113.62 112.74 1ssn n SER 3 Ca 0.00 0.04 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 1ssn n SER 3 Cb 0.00 0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1ssn n SER 3 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ssn s PHE 4 N -1.06 -0.70 0.33 7.33 5.36 -1.26 -4.05 117.98 123.92 1ssn s PHE 4 Ca 0.00 1.45 -0.17 0.00 -0.96 0.00 0.00 56.93 57.25 1ssn s PHE 4 Cb 0.00 0.35 0.03 0.00 -0.34 0.00 0.00 43.02 43.06 1ssn s PHE 4 CO 0.00 -0.50 0.72 0.34 -1.46 0.00 0.00 175.22 174.33 1ssn s ASP 5 N -0.50 -0.09 -1.57 6.13 2.15 -1.26 -4.80 116.67 116.74 1ssn s ASP 5 Ca -0.06 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.03 1ssn s ASP 5 Cb -0.02 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.37 1ssn s ASP 5 CO 0.06 -1.48 0.00 2.29 -0.17 0.00 0.00 175.17 175.87 1ssn n LYS 6 N -0.49 -1.68 0.00 4.34 2.85 -1.26 -4.77 118.16 117.15 1ssn n LYS 6 Ca -0.05 0.88 0.00 0.00 -1.05 0.00 0.00 58.31 58.08 1ssn n LYS 6 Cb 0.60 -5.36 0.00 0.00 -0.65 0.00 0.00 35.03 29.62 1ssn n LYS 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ssn n GLY 7 N -0.62 -0.39 2.56 2.58 0.00 -1.26 -3.56 105.19 104.51 1ssn n GLY 7 Ca -0.18 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 1ssn n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ssn n LYS 8 N -0.64 4.10 -2.76 1.61 5.02 -1.26 -4.63 118.16 119.59 1ssn n LYS 8 Ca 0.00 -3.49 -0.43 0.00 -2.02 0.00 0.00 58.31 52.38 1ssn n LYS 8 Cb 0.00 -2.44 -0.03 0.00 -0.02 0.00 0.00 35.03 32.54 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ssn s TYR 9 N -2.32 2.88 0.00 2.13 5.04 -1.19 -4.72 117.35 119.17 1ssn s TYR 9 Ca 0.52 -1.19 -0.03 0.00 -2.44 0.00 0.00 57.07 53.92 1ssn s TYR 9 Cb 0.26 -4.47 -0.14 0.00 0.35 0.00 0.00 41.96 37.96 1ssn s TYR 9 CO -0.17 -1.68 2.63 0.36 -1.34 0.00 0.00 175.55 175.35 1ssn n LYS 10 N 7.54 1.39 0.00 4.97 2.85 -1.17 -4.27 118.16 129.48 1ssn n LYS 10 Ca 0.29 -0.53 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1ssn n LYS 10 Cb 0.50 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ssn n LYS 11 N 2.18 0.00 0.00 -1.58 3.00 -1.26 -3.83 118.16 116.67 1ssn n LYS 11 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1ssn n LYS 11 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ssn n GLY 12 N 0.00 0.22 3.64 3.14 0.00 -1.26 -5.12 105.19 105.82 1ssn n GLY 12 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 46.02 45.46 1ssn n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ssn n ASP 13 N 0.00 2.55 -3.64 1.61 8.00 -1.25 -4.94 116.55 118.88 1ssn n ASP 13 Ca 0.00 0.91 -0.04 0.00 0.71 0.00 0.00 54.79 56.37 1ssn n ASP 13 Cb 0.00 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.12 39.82 1ssn n ASP 13 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ssn s ASP 14 N 4.49 -0.43 -0.14 -2.24 2.15 -1.26 -4.96 116.67 114.28 1ssn s ASP 14 Ca 1.00 0.72 -0.30 0.00 0.43 0.00 0.00 52.55 54.41 1ssn s ASP 14 Cb -0.95 1.03 0.11 0.00 -0.30 0.00 0.00 42.92 42.80 1ssn s ASP 14 CO 0.60 -0.12 0.89 0.00 -0.17 0.00 0.00 175.17 176.36 1ssn s ALA 15 N 0.93 -1.88 -0.30 3.66 0.00 -1.26 -4.93 121.76 117.98 1ssn s ALA 15 Ca -0.05 1.55 -0.07 0.00 0.00 0.00 0.00 51.96 53.39 1ssn s ALA 15 Cb -0.04 -0.57 0.16 0.00 0.00 0.00 0.00 23.12 22.67 1ssn s ALA 15 CO -0.12 -0.32 0.67 0.45 0.00 0.00 0.00 175.76 176.44 1ssn s SER 16 N -0.95 -1.17 0.43 0.00 0.15 -1.26 -5.06 113.70 105.85 1ssn s SER 16 Ca -0.04 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1ssn s SER 16 Cb -0.01 2.17 0.00 0.00 -1.71 0.00 0.00 66.02 66.47 1ssn s SER 16 CO 0.04 -0.22 0.00 -1.22 1.20 0.00 0.00 173.24 173.04 1ssn n TYR 17 N 5.41 -3.58 -2.73 3.44 4.01 -1.26 -5.03 117.16 117.42 1ssn n TYR 17 Ca -0.07 1.85 -0.01 0.00 -0.16 0.00 0.00 57.90 59.51 1ssn n TYR 17 Cb 0.50 -3.25 0.00 0.00 -0.31 0.00 0.00 39.34 36.28 1ssn n TYR 17 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ssn n PHE 18 N -4.21 -3.98 -0.69 -0.72 7.35 -1.26 -4.96 117.46 108.99 1ssn n PHE 18 Ca -0.03 1.75 0.03 0.00 -0.76 0.00 0.00 57.45 58.45 1ssn n PHE 18 Cb 0.64 -4.04 -0.02 0.00 0.35 0.00 0.00 39.48 36.42 1ssn n PHE 18 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ssn n GLU 19 N 0.62 -1.71 -1.91 -4.13 1.02 -1.26 -4.63 120.64 108.64 1ssn n GLU 19 Ca 0.01 1.36 -0.35 0.00 -0.02 0.00 0.00 57.16 58.16 1ssn n GLU 19 Cb 0.04 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 1ssn n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ssn s PRO 20 N -4.19 2.44 -0.14 3.49 0.04 -1.26 -4.74 135.00 130.64 1ssn s PRO 20 Ca 0.00 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1ssn s PRO 20 Cb 0.00 -4.56 -0.05 0.00 0.04 0.00 0.00 34.50 29.93 1ssn s PRO 20 CO 0.00 -3.06 -0.28 0.25 0.04 0.00 0.00 177.00 173.95 1ssn n THR 21 N 7.58 1.42 -3.18 1.26 -2.24 -1.26 -4.93 114.28 112.93 1ssn n THR 21 Ca 0.28 0.13 0.04 0.00 -2.27 0.00 0.00 64.05 62.24 1ssn n THR 21 Cb 0.51 -2.15 -0.01 0.00 -2.10 0.00 0.00 70.33 66.58 1ssn n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ssn s GLY 22 N -4.81 -0.73 0.79 3.38 0.00 -1.26 -5.05 107.32 99.64 1ssn s GLY 22 Ca -0.24 2.23 -0.12 0.00 0.00 0.00 0.00 44.72 46.59 1ssn s GLY 22 CO 0.35 3.51 1.16 2.56 0.00 0.00 0.00 173.10 180.68 1ssn s PRO 23 N 2.88 2.07 0.23 2.90 0.04 -1.26 -4.53 135.00 137.33 1ssn s PRO 23 Ca 0.12 0.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.06 1ssn s PRO 23 Cb -0.13 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1ssn s PRO 23 CO -0.17 -1.52 0.81 1.52 0.04 0.00 0.00 177.00 177.67 1ssn s TYR 24 N -3.54 -0.17 -0.34 0.56 -0.85 -0.77 -4.39 117.35 107.86 1ssn s TYR 24 Ca 0.61 -0.24 -0.01 0.00 -0.52 0.00 0.00 57.07 56.91 1ssn s TYR 24 Cb -0.11 0.69 0.12 0.00 0.38 0.00 0.00 41.96 43.04 1ssn s TYR 24 CO 0.49 -1.09 0.17 -1.17 -1.52 0.00 0.00 175.55 172.43 1ssn s LEU 25 N -2.93 1.31 -0.57 -3.49 2.96 -1.16 -2.03 118.68 112.76 1ssn s LEU 25 Ca 0.12 -1.87 -0.23 0.00 -0.22 0.00 0.00 54.13 51.92 1ssn s LEU 25 Cb -0.04 -0.56 0.05 0.00 0.50 0.00 0.00 46.19 46.14 1ssn s LEU 25 CO 0.05 -0.36 0.92 -0.32 -1.32 0.00 0.00 176.35 175.32 1ssn s MET 26 N 1.39 3.26 -0.62 1.98 -2.45 -0.58 -4.27 119.30 118.01 1ssn s MET 26 Ca 0.14 -0.46 -0.15 0.00 -1.25 0.00 0.00 55.69 53.97 1ssn s MET 26 Cb -0.20 -4.10 0.15 0.00 1.25 0.00 0.00 34.83 31.94 1ssn s MET 26 CO -0.16 -1.54 0.56 0.08 1.05 0.00 0.00 175.02 175.02 1ssn s VAL 27 N 3.85 5.22 0.28 10.11 1.01 -1.26 -1.96 120.40 137.66 1ssn s VAL 27 Ca 0.27 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.22 1ssn s VAL 27 Cb -0.14 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1ssn s VAL 27 CO 0.16 -0.91 0.74 0.20 0.00 0.00 0.00 175.10 175.29 1ssn s ASN 28 N 3.08 -0.25 -0.02 3.32 -0.87 -1.26 -4.75 114.94 114.20 1ssn s ASN 28 Ca 0.08 -0.62 -0.02 0.00 -1.57 0.00 0.00 52.86 50.73 1ssn s ASN 28 Cb -0.24 0.72 0.01 0.00 -0.02 0.00 0.00 41.25 41.72 1ssn s ASN 28 CO -0.01 -1.34 0.05 0.68 -2.57 0.00 0.00 177.10 173.92 1ssn s VAL 29 N -3.83 -0.00 -0.63 1.60 -7.23 -1.26 -3.93 120.40 105.11 1ssn s VAL 29 Ca 0.11 0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 1ssn s VAL 29 Cb -0.06 -0.09 -0.00 0.00 0.56 0.00 0.00 36.38 36.79 1ssn s VAL 29 CO 0.07 0.00 1.65 -0.89 -0.31 0.00 0.00 175.10 175.63 1ssn s THR 30 N 0.09 3.51 -1.17 5.32 2.01 -1.02 -4.65 115.64 119.72 1ssn s THR 30 Ca -0.01 0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.16 1ssn s THR 30 Cb -0.01 -4.25 0.13 0.00 0.01 0.00 0.00 72.50 68.39 1ssn s THR 30 CO -0.00 -1.17 1.45 -0.83 -0.69 0.00 0.00 174.62 173.38 1ssn s GLY 31 N 6.43 2.09 0.48 4.40 0.00 -1.23 -2.35 107.32 117.13 1ssn s GLY 31 Ca 0.57 -3.10 -0.09 0.00 0.00 0.00 0.00 44.72 42.11 1ssn s GLY 31 CO 0.20 2.23 0.83 -1.34 0.00 0.00 0.00 173.10 175.03 1ssn s VAL 32 N 2.56 4.81 -0.00 1.40 -7.23 -1.00 -1.08 120.40 119.85 1ssn s VAL 32 Ca 0.44 0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 61.14 1ssn s VAL 32 Cb -0.01 -3.81 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 1ssn s VAL 32 CO -0.00 -0.77 0.28 -0.78 -0.31 0.00 0.00 175.10 173.52 1ssn h ASP 33 N 0.56 -0.01 0.00 4.85 3.58 -1.56 -2.09 116.42 121.75 1ssn h ASP 33 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1ssn h ASP 33 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1ssn h ASP 33 CO 0.62 0.01 0.00 -1.20 -2.88 0.00 0.00 179.24 175.79 1ssn n SER 34 N -2.13 -2.27 -2.09 2.28 7.64 -1.26 -3.01 113.62 112.78 1ssn n SER 34 Ca -0.00 0.54 -0.22 0.00 1.01 0.00 0.00 58.87 60.20 1ssn n SER 34 Cb 0.01 2.27 0.03 0.00 -1.01 0.00 0.00 64.21 65.51 1ssn n SER 34 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ssn n LYS 35 N -3.12 2.07 -3.07 1.43 4.76 -1.26 -4.79 118.16 114.18 1ssn n LYS 35 Ca 0.00 -2.01 -0.23 0.00 -2.87 0.00 0.00 58.31 53.20 1ssn n LYS 35 Cb 0.00 -1.83 0.04 0.00 -1.84 0.00 0.00 35.03 31.40 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ssn n GLY 36 N 0.23 -0.53 3.28 0.72 0.00 -1.26 -4.96 105.19 102.67 1ssn n GLY 36 Ca 0.39 0.15 -0.44 0.00 0.00 0.00 0.00 46.02 46.11 1ssn n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ssn s ASN 37 N -2.76 6.17 -0.48 1.61 0.01 -1.26 -4.94 114.94 113.28 1ssn s ASN 37 Ca 0.33 -2.17 -0.27 0.00 -0.71 0.00 0.00 52.86 50.05 1ssn s ASN 37 Cb -0.15 -2.14 -0.08 0.00 0.41 0.00 0.00 41.25 39.30 1ssn s ASN 37 CO 0.41 -0.70 2.41 1.21 -1.51 0.00 0.00 177.10 178.92 1ssn n GLU 38 N 4.66 1.09 0.08 -0.60 2.13 -1.26 -1.64 120.64 125.09 1ssn n GLU 38 Ca -0.03 0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.82 1ssn n GLU 38 Cb 0.42 -3.28 -0.02 0.00 0.27 0.00 0.00 31.44 28.83 1ssn n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1ssn h LEU 39 N 18.45 -0.22 -9.03 4.31 3.38 -1.42 -3.44 115.31 127.34 1ssn h LEU 39 Ca -0.25 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.12 1ssn h LEU 39 Cb 1.27 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 1ssn h LEU 39 CO 1.15 0.08 0.12 -0.76 0.09 0.00 0.00 178.44 179.12 1ssn s LEU 40 N -7.24 4.09 -0.50 1.67 1.43 -0.95 -4.99 118.68 112.18 1ssn s LEU 40 Ca -0.04 0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 1ssn s LEU 40 Cb 0.00 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1ssn s LEU 40 CO 0.11 -0.33 0.87 -0.44 0.23 0.00 0.00 176.35 176.80 1ssn s SER 41 N 1.39 6.39 1.00 2.29 0.01 -1.26 -3.54 113.70 119.99 1ssn s SER 41 Ca 0.26 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.28 1ssn s SER 41 Cb -0.16 -2.42 0.07 0.00 0.21 0.00 0.00 66.02 63.72 1ssn s SER 41 CO 0.09 -1.07 0.39 -0.81 0.41 0.00 0.00 173.24 172.25 1ssn n PRO 42 N 7.10 -0.39 -2.39 12.44 -0.04 -1.26 -4.77 135.00 145.69 1ssn n PRO 42 Ca 0.03 -0.60 -0.06 0.00 -0.04 0.00 0.00 63.50 62.82 1ssn n PRO 42 Cb 0.48 -0.40 0.03 0.00 -0.04 0.00 0.00 33.50 33.57 1ssn n PRO 42 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ssn n HIS 43 N -2.54 -0.91 -0.02 0.54 8.25 -1.26 -4.57 115.22 114.70 1ssn n HIS 43 Ca 0.05 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1ssn n HIS 43 Cb 0.17 -3.18 0.00 0.00 1.12 0.00 0.00 29.99 28.10 1ssn n HIS 43 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1ssn n TYR 44 N -2.21 0.00 -4.19 4.41 0.18 -1.26 -3.06 117.16 111.03 1ssn n TYR 44 Ca -0.07 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.55 1ssn n TYR 44 Cb 0.56 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.38 1ssn n TYR 44 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1ssn s VAL 45 N -0.23 0.53 0.00 -3.48 -7.23 -1.26 -4.34 120.40 104.39 1ssn s VAL 45 Ca 0.00 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1ssn s VAL 45 Cb 0.00 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1ssn s VAL 45 CO 0.00 0.03 0.00 1.21 -0.31 0.00 0.00 175.10 176.03 1ssn n GLU 46 N 2.60 0.00 -0.45 4.82 2.13 -1.26 -4.03 120.64 124.44 1ssn n GLU 46 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1ssn n GLU 46 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1ssn n GLU 46 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ssn n PHE 47 N -0.52 -1.26 -1.14 4.31 7.35 -1.26 -4.44 117.46 120.50 1ssn n PHE 47 Ca 0.00 0.67 -0.31 0.00 -0.76 0.00 0.00 57.45 57.05 1ssn n PHE 47 Cb 0.00 -1.72 0.11 0.00 0.35 0.00 0.00 39.48 38.22 1ssn n PHE 47 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1ssn s PRO 48 N -5.37 1.93 0.32 -7.13 0.04 -1.26 -3.00 135.00 120.54 1ssn s PRO 48 Ca 0.00 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1ssn s PRO 48 Cb 0.00 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1ssn s PRO 48 CO 0.00 -1.91 1.52 -1.50 0.04 0.00 0.00 177.00 175.15 1ssn s ILE 49 N -2.75 2.15 -0.26 0.56 1.10 -1.26 -4.62 121.20 116.12 1ssn s ILE 49 Ca 0.64 0.14 -0.04 0.00 -0.51 0.00 0.00 60.65 60.88 1ssn s ILE 49 Cb -0.20 -3.09 0.09 0.00 0.15 0.00 0.00 42.46 39.42 1ssn s ILE 49 CO 0.55 0.03 0.11 -0.54 -2.11 0.00 0.00 174.94 172.98 1ssn s LYS 50 N -1.21 0.26 0.96 3.50 1.02 -1.26 -5.00 119.74 118.01 1ssn s LYS 50 Ca 0.58 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.91 1ssn s LYS 50 Cb -0.46 -1.47 0.18 0.00 -0.52 0.00 0.00 37.83 35.56 1ssn s LYS 50 CO 0.54 -0.92 1.25 -1.25 -0.92 0.00 0.00 175.35 174.05 1ssn s PRO 51 N 2.03 0.71 0.00 -1.68 0.04 -1.26 -4.54 135.00 130.29 1ssn s PRO 51 Ca 0.07 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1ssn s PRO 51 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ssn s PRO 51 CO -0.28 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1ssn n GLY 52 N -3.14 1.61 3.77 0.56 0.00 -1.19 -5.01 105.19 101.78 1ssn n GLY 52 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1ssn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssn s THR 53 N -1.90 2.79 0.40 2.61 -1.32 -1.26 -4.63 115.64 112.33 1ssn s THR 53 Ca 0.00 0.73 -0.25 0.00 -1.21 0.00 0.00 61.69 60.96 1ssn s THR 53 Cb 0.00 -3.44 -0.08 0.00 -1.51 0.00 0.00 72.50 67.47 1ssn s THR 53 CO 0.00 0.12 1.15 -0.89 -2.21 0.00 0.00 174.62 172.80 1ssn s THR 54 N -1.25 3.23 -0.48 5.08 2.01 -1.26 -2.47 115.64 120.49 1ssn s THR 54 Ca 0.54 1.02 0.06 0.00 0.31 0.00 0.00 61.69 63.61 1ssn s THR 54 Cb -0.37 -3.56 0.21 0.00 0.01 0.00 0.00 72.50 68.79 1ssn s THR 54 CO 0.48 0.08 0.48 -0.11 -0.69 0.00 0.00 174.62 174.86 1ssn n LEU 55 N 0.05 0.88 -4.94 4.42 -0.00 -0.61 -4.90 117.00 111.91 1ssn n LEU 55 Ca 0.04 -4.76 -0.21 0.00 -0.00 0.00 0.00 56.01 51.08 1ssn n LEU 55 Cb 0.47 0.20 -0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1ssn n LEU 55 CO 0.50 1.94 0.11 0.42 -0.00 0.00 0.00 177.39 180.36 1ssn s THR 56 N -0.95 2.39 0.11 1.96 -4.23 -1.26 -3.72 115.64 109.93 1ssn s THR 56 Ca 0.33 -1.25 -0.23 0.00 -1.18 0.00 0.00 61.69 59.36 1ssn s THR 56 Cb 0.09 -2.64 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 1ssn s THR 56 CO -0.14 0.00 1.71 0.50 -0.54 0.00 0.00 174.62 176.15 1ssn h LYS 57 N 0.73 -0.12 0.00 3.99 3.11 -1.88 -2.10 116.57 120.31 1ssn h LYS 57 Ca -0.38 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.40 1ssn h LYS 57 Cb 1.28 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.53 1ssn h LYS 57 CO 0.52 -0.08 -0.32 1.05 -2.81 0.00 0.00 179.45 177.81 1ssn h GLU 58 N -0.12 0.00 0.19 1.90 -0.00 -1.94 0.09 114.58 114.70 1ssn h GLU 58 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.39 1ssn h GLU 58 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1ssn h GLU 58 CO -0.09 0.32 -0.09 0.87 -0.00 0.00 0.00 179.01 180.02 1ssn h LYS 59 N 0.00 -0.25 -0.94 1.06 1.79 -1.89 -3.27 116.57 113.07 1ssn h LYS 59 Ca -0.00 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.58 1ssn h LYS 59 Cb 0.64 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.26 1ssn h LYS 59 CO 0.04 0.13 0.57 0.82 -1.08 0.00 0.00 179.45 179.93 1ssn h ILE 60 N -0.69 0.95 -0.13 1.86 1.08 -1.15 -2.79 117.51 116.64 1ssn h ILE 60 Ca -0.03 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1ssn h ILE 60 Cb 0.49 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 1ssn h ILE 60 CO 0.04 0.17 -0.31 -0.08 -0.69 0.00 0.00 178.15 177.29 1ssn h GLU 61 N 0.95 -0.28 -0.10 2.37 4.81 -1.03 -1.59 114.58 119.72 1ssn h GLU 61 Ca 0.45 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.58 1ssn h GLU 61 Cb 0.39 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1ssn h GLU 61 CO -0.24 -0.18 -0.45 0.10 -0.73 0.00 0.00 179.01 177.51 1ssn h TYR 62 N -0.29 0.30 -0.01 0.92 -0.00 -1.65 -3.19 116.97 113.05 1ssn h TYR 62 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 58.73 58.67 1ssn h TYR 62 Cb 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 36.73 37.03 1ssn h TYR 62 CO -0.58 0.66 0.00 -0.92 -0.00 0.00 0.00 178.16 177.32 1ssn h TYR 63 N 0.20 0.02 -0.23 0.10 3.20 -1.16 -1.46 116.97 117.64 1ssn h TYR 63 Ca 0.01 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1ssn h TYR 63 Cb 0.88 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1ssn h TYR 63 CO 0.02 0.27 -0.26 -0.39 -1.64 0.00 0.00 178.16 176.16 1ssn h VAL 64 N -0.24 1.27 -0.15 1.81 -1.51 -1.41 -1.56 116.25 114.45 1ssn h VAL 64 Ca 0.00 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.19 1ssn h VAL 64 Cb 0.26 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 1ssn h VAL 64 CO 0.00 0.40 0.07 -0.33 -1.23 0.00 0.00 177.57 176.49 1ssn h GLU 65 N 0.40 0.22 -0.70 5.19 5.08 -1.51 -0.61 114.58 122.65 1ssn h GLU 65 Ca 0.06 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1ssn h GLU 65 Cb 0.67 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1ssn h GLU 65 CO 0.05 0.26 0.23 -1.49 -1.00 0.00 0.00 179.01 177.06 1ssn h TRP 66 N 0.12 1.11 0.03 4.33 -0.00 -1.13 -0.97 115.95 119.44 1ssn h TRP 66 Ca 0.05 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.89 58.83 1ssn h TRP 66 Cb 0.12 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 28.95 1ssn h TRP 66 CO -0.03 0.89 -0.01 0.00 -0.00 0.00 0.00 178.44 179.28 1ssn h ALA 67 N 1.10 -0.04 0.00 1.49 0.00 -1.14 -3.01 119.26 117.66 1ssn h ALA 67 Ca 0.23 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ssn h ALA 67 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ssn h ALA 67 CO -0.01 -0.50 -0.55 1.37 0.00 0.00 0.00 179.25 179.57 1ssn h LEU 68 N -0.09 0.00 0.00 0.00 8.10 -1.04 -2.88 115.31 119.40 1ssn h LEU 68 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ssn h LEU 68 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1ssn h LEU 68 CO 0.01 0.55 0.00 0.47 -4.11 0.00 0.00 178.44 175.35 1ssn n ASP 69 N -3.81 0.00 -0.28 0.17 8.00 -0.37 -2.37 116.55 117.90 1ssn n ASP 69 Ca -0.01 -0.40 0.07 0.00 0.71 0.00 0.00 54.79 55.16 1ssn n ASP 69 Cb 0.57 -0.06 0.22 0.00 -0.02 0.00 0.00 41.12 41.83 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn h ALA 70 N 2.97 1.19 0.04 2.24 0.00 -1.48 -3.02 119.26 121.21 1ssn h ALA 70 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1ssn h ALA 70 Cb 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ssn h ALA 70 CO 0.00 -0.19 -1.02 1.79 0.00 0.00 0.00 179.25 179.83 1ssn h THR 71 N 0.50 1.15 0.00 0.00 1.35 -1.73 -3.47 112.91 110.71 1ssn h THR 71 Ca 0.45 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1ssn h THR 71 Cb 0.70 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 1ssn h THR 71 CO -0.41 0.51 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 1ssn n ALA 72 N -3.08 0.00 -0.73 6.62 0.00 -1.14 -1.77 120.51 120.40 1ssn n ALA 72 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ssn n ALA 72 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1ssn n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ssn n TYR 73 N 0.00 -2.00 0.00 0.00 4.19 -1.20 -3.07 117.16 115.08 1ssn n TYR 73 Ca 0.00 1.07 0.00 0.00 3.31 0.00 0.00 57.90 62.28 1ssn n TYR 73 Cb 0.00 -2.05 0.00 0.00 0.49 0.00 0.00 39.34 37.78 1ssn n TYR 73 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1ssn n LYS 74 N -1.44 0.00 -1.37 2.98 4.76 -1.26 -4.20 118.16 117.63 1ssn n LYS 74 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1ssn n LYS 74 Cb 0.10 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.46 1ssn n LYS 74 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ssn s GLU 75 N 0.00 0.47 0.28 1.97 8.01 -1.26 -4.86 118.70 123.30 1ssn s GLU 75 Ca 0.00 0.25 0.00 0.00 0.01 0.00 0.00 54.97 55.23 1ssn s GLU 75 Cb 0.00 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.05 1ssn s GLU 75 CO 0.00 -2.64 0.00 0.34 0.01 0.00 0.00 175.26 172.97 1ssn n PHE 76 N -4.07 -2.10 -3.65 1.61 -0.00 -1.16 -4.75 117.46 103.33 1ssn n PHE 76 Ca 0.08 1.13 -0.10 0.00 -0.00 0.00 0.00 57.45 58.56 1ssn n PHE 76 Cb 0.59 -2.08 -0.08 0.00 -0.00 0.00 0.00 39.48 37.91 1ssn n PHE 76 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1ssn s ARG 77 N -4.75 0.69 -0.08 -4.13 3.52 -1.19 -4.99 118.95 108.02 1ssn s ARG 77 Ca 0.00 1.05 -0.25 0.00 -0.13 0.00 0.00 55.73 56.40 1ssn s ARG 77 Cb 0.00 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1ssn s ARG 77 CO 0.00 -0.13 0.77 0.08 -0.81 0.00 0.00 175.30 175.21 1ssn s VAL 78 N 1.11 4.99 -0.01 7.11 1.01 -1.26 -0.92 120.40 132.43 1ssn s VAL 78 Ca -0.06 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.39 1ssn s VAL 78 Cb -0.05 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1ssn s VAL 78 CO -0.11 0.19 0.65 0.58 0.00 0.00 0.00 175.10 176.42 1ssn h VAL 79 N 4.86 0.00 -1.77 2.92 2.07 -1.59 -3.46 116.25 119.28 1ssn h VAL 79 Ca -0.39 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1ssn h VAL 79 Cb 1.19 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.72 1ssn h VAL 79 CO 0.77 0.00 0.30 -0.70 0.02 0.00 0.00 177.57 177.96 1ssn s GLU 80 N -2.91 0.64 0.85 1.57 -6.30 -1.24 -5.06 118.70 106.26 1ssn s GLU 80 Ca -0.05 0.79 -0.12 0.00 -2.50 0.00 0.00 54.97 53.08 1ssn s GLU 80 Cb 0.01 0.30 0.10 0.00 0.00 0.00 0.00 34.13 34.54 1ssn s GLU 80 CO 0.15 -0.08 1.17 -0.48 0.02 0.00 0.00 175.26 176.04 1ssn s LEU 81 N 0.40 2.32 0.12 2.70 2.34 -1.26 -2.85 118.68 122.44 1ssn s LEU 81 Ca 0.01 0.83 -0.31 0.00 0.06 0.00 0.00 54.13 54.72 1ssn s LEU 81 Cb -0.05 -3.25 -0.08 0.00 -0.56 0.00 0.00 46.19 42.25 1ssn s LEU 81 CO -0.04 -2.17 1.45 -1.81 -1.06 0.00 0.00 176.35 172.71 1ssn s ASP 82 N -4.39 6.76 0.28 1.48 1.01 -1.21 -4.91 116.67 115.69 1ssn s ASP 82 Ca 0.63 2.39 -0.00 0.00 0.71 0.00 0.00 52.55 56.28 1ssn s ASP 82 Cb -0.12 -2.59 0.39 0.00 1.01 0.00 0.00 42.92 41.61 1ssn s ASP 82 CO 0.51 -0.71 1.77 1.55 0.21 0.00 0.00 175.17 178.49 1ssn h PRO 83 N 6.94 0.68 -3.42 8.23 0.13 -1.95 -3.10 132.00 139.50 1ssn h PRO 83 Ca -0.42 -0.19 -0.76 0.00 -0.87 0.00 0.00 66.00 63.76 1ssn h PRO 83 Cb 1.21 -0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 1ssn h PRO 83 CO 0.88 0.74 2.02 0.43 -0.23 0.00 0.00 178.00 181.84 1ssn n SER 84 N -4.20 5.29 -4.30 1.44 7.64 -1.26 -4.91 113.62 113.32 1ssn n SER 84 Ca 0.02 -3.12 -0.29 0.00 1.01 0.00 0.00 58.87 56.48 1ssn n SER 84 Cb 0.32 -1.46 0.22 0.00 -1.01 0.00 0.00 64.21 62.28 1ssn n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssn s ALA 85 N 0.19 0.32 -0.00 -0.43 0.00 -1.17 -4.85 121.76 115.82 1ssn s ALA 85 Ca 0.40 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 1ssn s ALA 85 Cb 0.10 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.19 1ssn s ALA 85 CO 0.00 -3.47 0.39 -1.59 0.00 0.00 0.00 175.76 171.10 1ssn s LYS 86 N -4.97 0.80 -0.32 0.00 -2.85 -1.26 -1.29 119.74 109.85 1ssn s LYS 86 Ca 0.68 -0.18 0.02 0.00 -1.00 0.00 0.00 55.97 55.49 1ssn s LYS 86 Cb -0.17 0.36 0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1ssn s LYS 86 CO 0.59 -0.24 0.06 0.42 0.10 0.00 0.00 175.35 176.27 1ssn s ILE 87 N -1.66 1.65 -1.14 3.79 1.09 -0.76 -4.01 121.20 120.15 1ssn s ILE 87 Ca -0.11 -1.85 -0.04 0.00 -1.10 0.00 0.00 60.65 57.55 1ssn s ILE 87 Cb -0.03 -2.19 0.25 0.00 -1.06 0.00 0.00 42.46 39.43 1ssn s ILE 87 CO 0.03 -0.57 1.91 -0.62 -0.10 0.00 0.00 174.94 175.59 1ssn n GLU 88 N 4.53 4.83 -1.96 2.79 4.71 -0.39 -2.85 120.64 132.31 1ssn n GLU 88 Ca -0.00 -4.20 -0.42 0.00 -0.01 0.00 0.00 57.16 52.52 1ssn n GLU 88 Cb 0.42 -2.57 -0.03 0.00 -1.01 0.00 0.00 31.44 28.25 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1ssn s VAL 89 N -2.67 3.33 -0.31 2.62 0.11 -1.13 -3.72 120.40 118.63 1ssn s VAL 89 Ca 0.41 0.58 0.02 0.00 -2.93 0.00 0.00 61.98 60.06 1ssn s VAL 89 Cb 0.15 -3.37 0.07 0.00 -1.53 0.00 0.00 36.38 31.70 1ssn s VAL 89 CO -0.06 -0.03 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.78 1ssn s THR 90 N 3.46 2.51 -0.16 5.04 2.01 -0.87 -1.81 115.64 125.82 1ssn s THR 90 Ca 0.75 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1ssn s THR 90 Cb -0.37 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.58 1ssn s THR 90 CO 0.32 -0.27 -0.14 -0.72 -0.69 0.00 0.00 174.62 173.12 1ssn s TYR 91 N 1.09 2.23 -0.41 4.92 1.13 -1.23 -0.93 117.35 124.15 1ssn s TYR 91 Ca -0.01 -1.30 0.11 0.00 -1.41 0.00 0.00 57.07 54.46 1ssn s TYR 91 Cb -0.20 -1.61 0.39 0.00 -1.10 0.00 0.00 41.96 39.43 1ssn s TYR 91 CO -0.05 -0.69 0.90 2.48 -2.51 0.00 0.00 175.55 175.68 1ssn n TYR 92 N 4.75 1.82 -2.46 -3.49 0.18 -1.26 -2.79 117.16 113.91 1ssn n TYR 92 Ca -0.17 -3.47 -0.41 0.00 1.88 0.00 0.00 57.90 55.74 1ssn n TYR 92 Cb 0.49 -0.37 -0.04 0.00 -0.38 0.00 0.00 39.34 39.05 1ssn n TYR 92 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1ssn s ASP 93 N -3.03 7.22 -1.19 9.48 1.47 -1.26 -4.45 116.67 124.91 1ssn s ASP 93 Ca 0.40 2.20 -0.07 0.00 1.18 0.00 0.00 52.55 56.26 1ssn s ASP 93 Cb 0.37 -2.61 0.23 0.00 -0.34 0.00 0.00 42.92 40.57 1ssn s ASP 93 CO -0.08 -0.22 1.70 1.17 0.68 0.00 0.00 175.17 178.42 1ssn n LYS 94 N 1.88 3.98 0.01 2.11 4.81 -1.26 -2.12 118.16 127.58 1ssn n LYS 94 Ca 0.01 -3.97 0.00 0.00 -0.87 0.00 0.00 58.31 53.49 1ssn n LYS 94 Cb 0.45 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ssn n ASN 95 N 2.81 -0.05 0.00 3.14 3.02 -1.26 -4.79 115.26 118.13 1ssn n ASN 95 Ca 0.34 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1ssn n ASN 95 Cb 0.35 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1ssn n ASN 95 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1ssn n LYS 96 N -2.56 0.00 -0.09 3.52 -0.00 -1.26 -5.03 118.16 112.74 1ssn n LYS 96 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1ssn n LYS 96 Cb 0.00 -0.10 -0.08 0.00 -0.00 0.00 0.00 35.03 34.85 1ssn n LYS 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ssn h LYS 97 N 0.00 0.00 0.00 -1.58 1.63 -1.97 -3.52 116.57 111.13 1ssn h LYS 97 Ca 0.00 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.94 1ssn h LYS 97 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1ssn h LYS 97 CO 0.00 0.65 -0.19 1.17 -3.45 0.00 0.00 179.45 177.63 1ssn n LYS 98 N -4.52 -1.04 -2.16 1.90 4.81 -0.90 -4.88 118.16 111.37 1ssn n LYS 98 Ca -0.21 0.68 -0.42 0.00 -0.87 0.00 0.00 58.31 57.49 1ssn n LYS 98 Cb 0.50 -1.27 -0.03 0.00 0.02 0.00 0.00 35.03 34.26 1ssn n LYS 98 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ssn s GLU 99 N -1.22 4.29 -0.25 1.64 2.12 -1.25 -4.28 118.70 119.76 1ssn s GLU 99 Ca 0.00 2.06 -0.03 0.00 0.36 0.00 0.00 54.97 57.36 1ssn s GLU 99 Cb 0.00 -3.41 0.10 0.00 0.26 0.00 0.00 34.13 31.08 1ssn s GLU 99 CO 0.00 -0.52 0.18 -1.21 -0.54 0.00 0.00 175.26 173.17 1ssn s GLU 100 N 1.75 0.19 -0.51 4.30 2.02 -1.12 -4.97 118.70 120.37 1ssn s GLU 100 Ca 0.65 -0.19 -0.28 0.00 0.02 0.00 0.00 54.97 55.17 1ssn s GLU 100 Cb -0.35 -1.21 0.03 0.00 0.10 0.00 0.00 34.13 32.70 1ssn s GLU 100 CO 0.29 -0.87 1.13 0.99 0.02 0.00 0.00 175.26 176.82 1ssn s THR 101 N 2.21 4.18 -0.41 3.63 2.01 -1.26 -3.46 115.64 122.54 1ssn s THR 101 Ca 0.07 1.05 -0.06 0.00 0.31 0.00 0.00 61.69 63.06 1ssn s THR 101 Cb -0.15 -4.62 0.10 0.00 0.01 0.00 0.00 72.50 67.83 1ssn s THR 101 CO -0.25 -1.09 0.23 -0.54 -0.69 0.00 0.00 174.62 172.28 1ssn s LYS 102 N 4.51 2.34 -1.29 4.92 -0.14 -0.75 -4.98 119.74 124.35 1ssn s LYS 102 Ca 0.45 -1.64 -0.07 0.00 -1.36 0.00 0.00 55.97 53.35 1ssn s LYS 102 Cb -0.08 -3.68 0.15 0.00 -1.68 0.00 0.00 37.83 32.55 1ssn s LYS 102 CO 0.29 -1.01 2.12 -1.13 -0.76 0.00 0.00 175.35 174.86 1ssn n SER 103 N 4.77 6.74 -4.76 2.83 3.41 -1.26 -2.85 113.62 122.50 1ssn n SER 103 Ca -0.07 -3.16 -0.39 0.00 -0.26 0.00 0.00 58.87 54.99 1ssn n SER 103 Cb 0.42 -1.40 -0.05 0.00 -0.26 0.00 0.00 64.21 62.92 1ssn n SER 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ssn s PHE 104 N -0.69 3.67 0.87 7.33 -0.71 -1.13 -4.77 117.98 122.56 1ssn s PHE 104 Ca 0.47 1.77 -0.13 0.00 -1.04 0.00 0.00 56.93 58.00 1ssn s PHE 104 Cb 0.14 -3.11 0.12 0.00 -1.21 0.00 0.00 43.02 38.96 1ssn s PHE 104 CO -0.04 -0.14 1.18 -1.25 -1.34 0.00 0.00 175.22 173.63 1ssn s PRO 105 N -1.63 1.44 0.69 1.99 0.04 -1.26 -1.83 135.00 134.45 1ssn s PRO 105 Ca 0.46 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 1ssn s PRO 105 Cb -0.26 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1ssn s PRO 105 CO 0.33 -1.96 1.06 -1.50 0.04 0.00 0.00 177.00 174.98 1ssn s ILE 106 N -3.48 3.97 -0.06 0.56 1.10 -0.41 -4.79 121.20 118.10 1ssn s ILE 106 Ca 0.64 0.64 0.01 0.00 -0.51 0.00 0.00 60.65 61.43 1ssn s ILE 106 Cb -0.12 -3.48 0.02 0.00 0.15 0.00 0.00 42.46 39.03 1ssn s ILE 106 CO 0.51 -0.84 -0.07 0.42 -2.11 0.00 0.00 174.94 172.85 1ssn s THR 107 N -3.14 0.78 0.47 4.00 -4.23 -1.26 -4.90 115.64 107.36 1ssn s THR 107 Ca 0.58 -0.26 0.17 0.00 -1.18 0.00 0.00 61.69 60.99 1ssn s THR 107 Cb -0.13 -0.77 0.22 0.00 1.34 0.00 0.00 72.50 73.16 1ssn s THR 107 CO 0.54 0.28 2.04 1.05 -0.54 0.00 0.00 174.62 178.00 1ssn h GLU 108 N 7.18 0.00 -0.03 3.99 9.09 -1.94 -2.11 114.58 130.76 1ssn h GLU 108 Ca -0.34 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.07 1ssn h GLU 108 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.26 1ssn h GLU 108 CO 0.46 0.13 -0.01 0.87 0.05 0.00 0.00 179.01 180.52 1ssn h LYS 109 N 0.00 -0.00 0.00 1.06 1.57 -1.95 -3.45 116.57 113.79 1ssn h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ssn h LYS 109 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ssn h LYS 109 CO 0.02 -0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1ssn n GLY 110 N -1.11 1.53 3.57 3.86 0.00 -0.79 -4.98 105.19 107.27 1ssn n GLY 110 Ca -0.06 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ssn s PHE 111 N -1.90 -0.83 0.12 1.61 -0.71 -1.24 -4.96 117.98 110.07 1ssn s PHE 111 Ca 0.00 1.85 -0.31 0.00 -1.04 0.00 0.00 56.93 57.43 1ssn s PHE 111 Cb 0.00 0.37 -0.08 0.00 -1.21 0.00 0.00 43.02 42.11 1ssn s PHE 111 CO 0.00 -0.41 1.32 0.08 -1.34 0.00 0.00 175.22 174.88 1ssn s VAL 112 N 0.84 3.46 -0.20 -2.49 1.01 -1.26 -1.58 120.40 120.19 1ssn s VAL 112 Ca -0.04 1.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.72 1ssn s VAL 112 Cb -0.05 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1ssn s VAL 112 CO -0.07 0.10 2.15 0.52 0.00 0.00 0.00 175.10 177.80 1ssn n VAL 113 N 3.66 0.39 0.00 2.92 0.31 -1.03 -4.91 118.33 119.67 1ssn n VAL 113 Ca 0.10 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1ssn n VAL 113 Cb 0.43 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1ssn n VAL 113 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ssn n PRO 114 N 8.24 0.00 -3.56 5.55 -0.04 -1.26 -3.18 135.00 140.76 1ssn n PRO 114 Ca 0.30 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 1ssn n PRO 114 Cb 0.38 -0.04 -0.06 0.00 -0.04 0.00 0.00 33.50 33.74 1ssn n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ssn s ASP 115 N -1.15 -0.58 -0.86 3.54 2.15 -1.26 -4.78 116.67 113.72 1ssn s ASP 115 Ca 0.00 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1ssn s ASP 115 Cb 0.00 0.51 0.34 0.00 -0.30 0.00 0.00 42.92 43.46 1ssn s ASP 115 CO 0.00 -0.59 1.68 0.00 -0.17 0.00 0.00 175.17 176.09 1ssn n LEU 116 N 0.94 6.73 0.00 -1.34 -0.00 -1.26 -5.03 117.00 117.04 1ssn n LEU 116 Ca -0.19 -5.29 0.00 0.00 -0.00 0.00 0.00 56.01 50.53 1ssn n LEU 116 Cb 0.57 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1ssn n LEU 116 CO 0.23 2.04 0.00 -0.24 -0.00 0.00 0.00 177.39 179.43 1ssn n SER 117 N -0.24 0.00 0.04 1.45 2.88 -1.26 -4.39 113.62 112.10 1ssn n SER 117 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ssn n SER 117 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1ssn n SER 117 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ssn n GLU 118 N 0.00 0.00 -0.17 -1.46 2.13 -1.26 -4.95 120.64 114.92 1ssn n GLU 118 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1ssn n GLU 118 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 1ssn n GLU 118 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 1ssn h HIS 119 N 0.00 0.70 -3.60 4.31 2.07 -2.06 -3.39 115.15 113.18 1ssn h HIS 119 Ca 0.00 -0.02 -0.59 0.00 -2.85 0.00 0.00 60.37 56.91 1ssn h HIS 119 Cb 0.00 -0.22 -0.09 0.00 2.57 0.00 0.00 27.41 29.66 1ssn h HIS 119 CO 0.00 0.53 0.65 -1.50 -3.07 0.00 0.00 177.93 174.54 1ssn s ILE 120 N -5.82 4.47 -0.30 6.12 1.10 -1.26 -4.89 121.20 120.62 1ssn s ILE 120 Ca -0.13 1.01 0.17 0.00 -0.51 0.00 0.00 60.65 61.19 1ssn s ILE 120 Cb 0.12 -4.43 0.48 0.00 0.15 0.00 0.00 42.46 38.78 1ssn s ILE 120 CO 0.76 -0.75 1.08 0.29 -2.11 0.00 0.00 174.94 174.20 1ssn n LYS 121 N 7.13 2.02 -2.70 3.50 5.02 -1.26 -4.60 118.16 127.27 1ssn n LYS 121 Ca 0.08 -3.64 -0.06 0.00 -2.02 0.00 0.00 58.31 52.67 1ssn n LYS 121 Cb 0.48 -1.67 0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ssn n ASN 122 N -0.45 -0.45 -4.66 4.39 0.23 -1.26 -4.09 115.26 108.97 1ssn n ASN 122 Ca 0.16 -2.45 -0.40 0.00 -0.53 0.00 0.00 54.58 51.37 1ssn n ASN 122 Cb 0.82 0.33 0.03 0.00 -2.08 0.00 0.00 39.78 38.88 1ssn n ASN 122 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1ssn n PRO 123 N -0.59 1.46 -3.65 -0.53 -0.02 -1.26 -4.10 135.00 126.32 1ssn n PRO 123 Ca -0.01 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 61.73 1ssn n PRO 123 Cb 0.84 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1ssn n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ssn n GLY 124 N 1.02 3.87 3.55 -1.23 0.00 -0.11 -1.85 105.19 110.44 1ssn n GLY 124 Ca 0.10 -2.38 -0.34 0.00 0.00 0.00 0.00 46.02 43.40 1ssn n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ssn s PHE 125 N -1.49 1.69 -0.45 1.61 0.08 -0.86 -2.04 117.98 116.52 1ssn s PHE 125 Ca 0.31 0.75 -0.23 0.00 0.12 0.00 0.00 56.93 57.88 1ssn s PHE 125 Cb 0.04 -4.06 0.03 0.00 -0.57 0.00 0.00 43.02 38.45 1ssn s PHE 125 CO -0.13 -2.13 0.81 -0.80 -0.10 0.00 0.00 175.22 172.87 1ssn s ASN 126 N 8.16 6.42 -0.78 1.36 0.02 -1.24 -1.53 114.94 127.35 1ssn s ASN 126 Ca 0.69 -0.09 -0.03 0.00 -1.02 0.00 0.00 52.86 52.41 1ssn s ASN 126 Cb -0.11 -2.40 0.20 0.00 0.02 0.00 0.00 41.25 38.96 1ssn s ASN 126 CO 0.14 -0.94 2.36 0.18 0.02 0.00 0.00 177.10 178.85 1ssn n LEU 127 N 6.80 7.16 -4.74 0.60 7.99 -0.83 -1.27 117.00 132.71 1ssn n LEU 127 Ca 0.03 -4.60 -0.37 0.00 -0.01 0.00 0.00 56.01 51.06 1ssn n LEU 127 Cb 0.48 -1.19 -0.07 0.00 -0.11 0.00 0.00 43.42 42.54 1ssn n LEU 127 CO 0.60 1.83 0.06 -0.63 -1.51 0.00 0.00 177.39 177.74 1ssn s ILE 128 N -3.28 5.24 -0.12 -0.08 1.09 -1.25 -4.11 121.20 118.70 1ssn s ILE 128 Ca 0.54 0.72 -0.11 0.00 -1.10 0.00 0.00 60.65 60.70 1ssn s ILE 128 Cb 0.35 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 38.07 1ssn s ILE 128 CO -0.26 0.38 0.32 -0.89 -0.10 0.00 0.00 174.94 174.40 1ssn s THR 129 N 0.40 0.00 0.19 2.92 2.01 -1.26 -4.46 115.64 115.45 1ssn s THR 129 Ca 0.21 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1ssn s THR 129 Cb -0.14 -0.47 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 1ssn s THR 129 CO 0.07 -0.02 1.19 -0.75 -0.69 0.00 0.00 174.62 174.42 1ssn s LYS 130 N 0.08 4.51 -0.02 4.92 2.36 -1.26 -2.44 119.74 127.88 1ssn s LYS 130 Ca -0.01 1.86 0.02 0.00 -2.55 0.00 0.00 55.97 55.30 1ssn s LYS 130 Cb -0.02 -3.24 0.00 0.00 -1.05 0.00 0.00 37.83 33.52 1ssn s LYS 130 CO 0.01 -0.06 -0.08 0.14 1.55 0.00 0.00 175.35 176.91 1ssn s VAL 131 N -0.15 0.66 -0.04 4.02 -7.23 -0.99 -3.30 120.40 113.37 1ssn s VAL 131 Ca 0.52 -0.30 -0.25 0.00 -1.81 0.00 0.00 61.98 60.14 1ssn s VAL 131 Cb -0.32 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 1ssn s VAL 131 CO 0.37 0.21 0.78 -0.69 -0.31 0.00 0.00 175.10 175.46 1ssn s VAL 132 N 0.21 4.99 -0.07 1.32 1.01 -1.13 -2.39 120.40 124.34 1ssn s VAL 132 Ca -0.03 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.61 1ssn s VAL 132 Cb -0.08 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1ssn s VAL 132 CO 0.00 0.23 -0.20 -0.63 0.00 0.00 0.00 175.10 174.50 1ssn s ILE 133 N 0.82 1.73 -0.59 2.22 1.01 -0.78 -1.48 121.20 124.12 1ssn s ILE 133 Ca 0.41 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 1ssn s ILE 133 Cb -0.19 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1ssn s ILE 133 CO 0.21 0.49 0.91 -0.70 0.00 0.00 0.00 174.94 175.85 1ssn s GLU 134 N 0.28 3.22 0.33 2.79 2.12 -0.09 -4.60 118.70 122.74 1ssn s GLU 134 Ca -0.13 -0.57 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 1ssn s GLU 134 Cb -0.16 -4.13 -0.10 0.00 0.26 0.00 0.00 34.13 30.01 1ssn s GLU 134 CO 0.06 -1.59 1.20 -1.59 -0.54 0.00 0.00 175.26 172.79 1ssn s LYS 135 N 3.84 4.40 0.00 4.30 -2.85 -1.26 -3.18 119.74 125.00 1ssn s LYS 135 Ca 0.25 1.97 0.00 0.00 -1.00 0.00 0.00 55.97 57.19 1ssn s LYS 135 Cb -0.15 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 1ssn s LYS 135 CO 0.15 -0.06 0.32 1.63 0.10 0.00 0.00 175.35 177.49