#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssn s SER 2 N 0.00 6.30 -1.36 6.43 0.01 -1.26 -4.94 113.70 118.89 1ssn s SER 2 Ca 0.00 -0.90 -0.16 0.00 1.31 0.00 0.00 55.95 56.20 1ssn s SER 2 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.74 1ssn s SER 2 CO 0.00 -1.67 1.92 -1.54 0.41 0.00 0.00 173.24 172.36 1ssn n SER 3 N 9.02 4.54 -4.78 2.44 3.41 -1.26 -4.82 113.62 122.17 1ssn n SER 3 Ca 0.15 -2.90 -0.33 0.00 -0.26 0.00 0.00 58.87 55.53 1ssn n SER 3 Cb 0.50 -1.70 0.02 0.00 -0.26 0.00 0.00 64.21 62.77 1ssn n SER 3 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ssn s PHE 4 N 3.60 2.76 -0.45 7.33 0.40 -1.26 -4.89 117.98 125.47 1ssn s PHE 4 Ca 0.50 1.54 0.07 0.00 -0.60 0.00 0.00 56.93 58.44 1ssn s PHE 4 Cb 0.08 -3.13 0.28 0.00 0.51 0.00 0.00 43.02 40.75 1ssn s PHE 4 CO 0.01 -1.45 0.90 -0.40 0.70 0.00 0.00 175.22 174.98 1ssn n ASP 5 N -2.04 -1.91 -3.33 1.36 5.75 -1.26 -2.81 116.55 112.31 1ssn n ASP 5 Ca 0.10 -3.34 -0.39 0.00 -0.01 0.00 0.00 54.79 51.16 1ssn n ASP 5 Cb 0.52 1.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.90 1ssn n ASP 5 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ssn n LYS 6 N 1.02 4.38 -2.03 0.11 4.76 -1.26 -4.79 118.16 120.35 1ssn n LYS 6 Ca 0.11 -3.78 -0.10 0.00 -2.87 0.00 0.00 58.31 51.67 1ssn n LYS 6 Cb 0.64 -2.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.36 1ssn n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ssn n GLY 7 N 0.62 0.05 4.02 0.72 0.00 -1.26 -2.26 105.19 107.08 1ssn n GLY 7 Ca 0.54 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.37 -3.01 -2.83 1.61 5.02 -1.26 -4.91 118.16 110.41 1ssn n LYS 8 Ca -0.12 0.36 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 1ssn n LYS 8 Cb 0.50 -4.47 -0.04 0.00 -0.02 0.00 0.00 35.03 31.00 1ssn n LYS 8 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1ssn s TYR 9 N -3.95 2.77 -1.28 2.13 2.02 -0.96 -4.70 117.35 113.38 1ssn s TYR 9 Ca 0.07 -0.06 -0.17 0.00 -0.37 0.00 0.00 57.07 56.55 1ssn s TYR 9 Cb -0.04 -4.11 -0.00 0.00 -0.40 0.00 0.00 41.96 37.40 1ssn s TYR 9 CO 0.91 -1.40 2.07 1.63 -1.57 0.00 0.00 175.55 177.18 1ssn n LYS 10 N 7.54 2.58 0.00 -0.62 4.76 -1.26 -3.97 118.16 127.19 1ssn n LYS 10 Ca 0.01 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 52.89 1ssn n LYS 10 Cb 0.47 -3.28 0.00 0.00 -1.84 0.00 0.00 35.03 30.38 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1ssn n LYS 11 N 6.80 0.00 0.00 1.97 0.00 -1.26 -4.49 118.16 121.19 1ssn n LYS 11 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.82 1ssn n LYS 11 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.44 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 3.25 3.52 3.14 0.00 -1.26 -5.04 105.19 108.80 1ssn n GLY 12 Ca 0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -5.96 -4.22 1.61 9.92 -1.26 -4.86 116.55 111.78 1ssn n ASP 13 Ca 0.00 -0.73 -0.43 0.00 -0.53 0.00 0.00 54.79 53.10 1ssn n ASP 13 Cb 0.00 -3.56 0.00 0.00 -0.64 0.00 0.00 41.12 36.92 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ssn n ASP 14 N -2.43 4.78 -3.44 -2.24 8.00 -1.26 -4.79 116.55 115.17 1ssn n ASP 14 Ca -0.12 -2.95 -0.26 0.00 0.71 0.00 0.00 54.79 52.17 1ssn n ASP 14 Cb 0.59 -1.64 -0.09 0.00 -0.02 0.00 0.00 41.12 39.97 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn n ALA 15 N 6.36 3.33 -1.50 2.24 0.00 -1.26 -4.94 120.51 124.74 1ssn n ALA 15 Ca 0.45 -4.12 -0.30 0.00 0.00 0.00 0.00 53.44 49.48 1ssn n ALA 15 Cb 0.42 -0.88 0.19 0.00 0.00 0.00 0.00 19.45 19.18 1ssn n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ssn s SER 16 N -1.60 2.45 -1.34 0.00 0.15 -1.26 -4.92 113.70 107.17 1ssn s SER 16 Ca 0.35 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.46 1ssn s SER 16 Cb 0.11 -0.90 0.07 0.00 -1.71 0.00 0.00 66.02 63.58 1ssn s SER 16 CO -0.09 -3.18 1.87 -1.22 1.20 0.00 0.00 173.24 171.82 1ssn n TYR 17 N -4.13 4.30 -2.93 3.44 4.02 -1.26 -4.64 117.16 115.96 1ssn n TYR 17 Ca 0.12 -2.91 -0.11 0.00 -0.01 0.00 0.00 57.90 54.98 1ssn n TYR 17 Cb 0.59 -2.56 -0.01 0.00 -0.02 0.00 0.00 39.34 37.34 1ssn n TYR 17 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ssn n PHE 18 N 7.39 -2.83 -0.89 -0.72 7.35 -1.26 -5.14 117.46 121.37 1ssn n PHE 18 Ca 0.49 -2.05 0.11 0.00 -0.76 0.00 0.00 57.45 55.24 1ssn n PHE 18 Cb 0.43 1.09 -0.04 0.00 0.35 0.00 0.00 39.48 41.31 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 2.49 -1.93 -1.48 -4.13 1.02 -1.26 -4.63 120.64 110.72 1ssn n GLU 19 Ca 0.19 1.44 -0.47 0.00 -0.02 0.00 0.00 57.16 58.30 1ssn n GLU 19 Cb 0.56 -2.30 -0.07 0.00 -0.02 0.00 0.00 31.44 29.61 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ssn n PRO 20 N -3.61 1.11 -0.05 3.49 -0.02 -1.26 -4.80 135.00 129.86 1ssn n PRO 20 Ca -0.03 0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1ssn n PRO 20 Cb 0.41 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1ssn n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ssn n THR 21 N 7.40 1.38 0.00 3.45 -2.24 -1.26 -5.02 114.28 117.99 1ssn n THR 21 Ca 0.41 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.42 1ssn n THR 21 Cb 0.28 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 1ssn n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssn n GLY 22 N 2.07 1.64 3.66 3.38 0.00 -1.24 -5.03 105.19 109.67 1ssn n GLY 22 Ca -0.09 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1ssn n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ssn s PRO 23 N -2.00 0.86 0.21 1.61 0.02 -1.09 -4.55 135.00 130.05 1ssn s PRO 23 Ca 0.00 1.22 -0.21 0.00 0.02 0.00 0.00 61.00 62.03 1ssn s PRO 23 Cb 0.00 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.83 1ssn s PRO 23 CO 0.00 -2.63 0.61 1.52 -0.33 0.00 0.00 177.00 176.17 1ssn s TYR 24 N -2.70 -0.31 -0.27 6.54 1.13 -1.26 -4.40 117.35 116.08 1ssn s TYR 24 Ca 0.66 -0.02 -0.01 0.00 -1.41 0.00 0.00 57.07 56.29 1ssn s TYR 24 Cb -0.21 0.55 0.13 0.00 -1.10 0.00 0.00 41.96 41.33 1ssn s TYR 24 CO 0.59 -0.99 0.32 -1.17 -2.51 0.00 0.00 175.55 171.79 1ssn s LEU 25 N -2.84 -0.39 -0.22 -3.49 0.20 -1.00 -2.10 118.68 108.84 1ssn s LEU 25 Ca 0.07 -0.44 -0.27 0.00 0.69 0.00 0.00 54.13 54.18 1ssn s LEU 25 Cb -0.03 0.71 0.00 0.00 -0.43 0.00 0.00 46.19 46.44 1ssn s LEU 25 CO -0.04 -0.36 0.94 -0.04 -0.29 0.00 0.00 176.35 176.57 1ssn s MET 26 N 2.42 4.25 -0.47 1.98 -1.94 -0.89 -3.06 119.30 121.58 1ssn s MET 26 Ca 0.10 1.18 -0.01 0.00 -1.71 0.00 0.00 55.69 55.25 1ssn s MET 26 Cb -0.14 -3.63 0.13 0.00 2.01 0.00 0.00 34.83 33.19 1ssn s MET 26 CO -0.26 -0.54 0.25 0.08 -0.01 0.00 0.00 175.02 174.54 1ssn s VAL 27 N 2.90 3.16 0.23 -6.03 1.01 -1.22 -0.87 120.40 119.58 1ssn s VAL 27 Ca 0.40 -2.51 -0.06 0.00 0.00 0.00 0.00 61.98 59.81 1ssn s VAL 27 Cb -0.15 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1ssn s VAL 27 CO 0.08 -0.74 0.42 0.59 0.00 0.00 0.00 175.10 175.45 1ssn n ASN 28 N 4.05 -1.22 -1.14 3.32 4.13 -1.09 -4.53 115.26 118.78 1ssn n ASN 28 Ca 0.02 -2.04 -0.01 0.00 1.68 0.00 0.00 54.58 54.23 1ssn n ASN 28 Cb 0.39 2.09 -0.00 0.00 -1.54 0.00 0.00 39.78 40.72 1ssn n ASN 28 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1ssn n VAL 29 N -0.34 0.00 -3.59 2.41 0.24 -1.20 -3.59 118.33 112.25 1ssn n VAL 29 Ca -0.04 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 1ssn n VAL 29 Cb 0.36 0.08 -0.13 0.00 -1.47 0.00 0.00 33.84 32.68 1ssn n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ssn s THR 30 N -2.10 0.54 -0.71 3.34 2.01 -1.05 -4.64 115.64 113.04 1ssn s THR 30 Ca 0.03 -1.64 -0.22 0.00 0.31 0.00 0.00 61.69 60.16 1ssn s THR 30 Cb 0.00 -1.41 0.08 0.00 0.01 0.00 0.00 72.50 71.18 1ssn s THR 30 CO 0.02 -0.85 1.00 -0.83 -0.69 0.00 0.00 174.62 173.27 1ssn s GLY 31 N 1.23 1.45 0.29 4.40 0.00 -1.26 -2.56 107.32 110.88 1ssn s GLY 31 Ca 0.14 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 42.94 1ssn s GLY 31 CO -0.12 2.07 0.33 -1.34 0.00 0.00 0.00 173.10 174.04 1ssn s VAL 32 N 3.89 4.30 -0.07 1.40 -7.23 -0.91 -2.11 120.40 119.68 1ssn s VAL 32 Ca 0.24 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.98 1ssn s VAL 32 Cb -0.15 -3.45 -0.19 0.00 0.56 0.00 0.00 36.38 33.15 1ssn s VAL 32 CO 0.07 -0.25 0.93 0.44 -0.31 0.00 0.00 175.10 175.97 1ssn h ASP 33 N 1.20 -0.08 0.00 4.85 3.32 -1.48 -1.01 116.42 123.23 1ssn h ASP 33 Ca -0.48 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.03 1ssn h ASP 33 Cb 1.24 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1ssn h ASP 33 CO 0.58 0.57 0.00 -1.20 -1.72 0.00 0.00 179.24 177.47 1ssn n SER 34 N -4.82 -2.23 -3.56 6.45 7.64 -1.26 -4.66 113.62 111.18 1ssn n SER 34 Ca -0.08 0.51 -0.37 0.00 1.01 0.00 0.00 58.87 59.94 1ssn n SER 34 Cb 0.30 2.27 -0.01 0.00 -1.01 0.00 0.00 64.21 65.77 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 -3.06 4.39 0.00 1.43 4.76 -1.26 -4.85 118.16 119.57 1ssn n LYS 35 Ca 0.00 -4.69 0.00 0.00 -2.87 0.00 0.00 58.31 50.75 1ssn n LYS 35 Cb 0.00 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 30.78 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 0.36 1.63 3.48 0.72 0.00 -1.26 -4.96 105.19 105.16 1ssn n GLY 36 Ca 0.36 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1ssn n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ssn n ASN 37 N 1.77 1.50 -4.75 1.61 6.94 -1.26 -4.82 115.26 116.25 1ssn n ASN 37 Ca 0.00 0.08 -0.40 0.00 -0.02 0.00 0.00 54.58 54.24 1ssn n ASN 37 Cb 0.00 -1.23 -0.05 0.00 -2.36 0.00 0.00 39.78 36.14 1ssn n ASN 37 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1ssn s GLU 38 N 7.73 4.55 -0.07 -3.83 2.12 -1.26 -1.68 118.70 126.27 1ssn s GLU 38 Ca 1.15 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 1ssn s GLU 38 Cb -0.82 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.23 1ssn s GLU 38 CO 0.43 0.37 0.07 -0.07 -0.54 0.00 0.00 175.26 175.52 1ssn h LEU 39 N 5.19 -0.04 0.00 2.70 4.07 -1.76 -3.48 115.31 121.99 1ssn h LEU 39 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1ssn h LEU 39 Cb 1.21 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1ssn h LEU 39 CO 0.69 0.34 0.00 0.18 -1.08 0.00 0.00 178.44 178.57 1ssn n LEU 40 N -4.17 0.00 -3.12 1.67 4.77 -1.26 -4.87 117.00 110.02 1ssn n LEU 40 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1ssn n LEU 40 Cb 0.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1ssn n LEU 40 CO 0.01 0.00 -0.21 -1.20 -1.33 0.00 0.00 177.39 174.67 1ssn n SER 41 N 0.00 -0.18 -4.20 -1.43 7.64 -1.13 -4.96 113.62 109.37 1ssn n SER 41 Ca 0.00 -2.85 -0.43 0.00 1.01 0.00 0.00 58.87 56.60 1ssn n SER 41 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1ssn n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ssn n PRO 42 N 1.23 3.19 -2.77 1.43 -0.04 -1.26 -4.47 135.00 132.30 1ssn n PRO 42 Ca 0.20 -3.22 -0.10 0.00 -0.04 0.00 0.00 63.50 60.34 1ssn n PRO 42 Cb 0.57 -3.27 0.07 0.00 -0.04 0.00 0.00 33.50 30.83 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 6.54 -1.44 -2.69 0.54 8.25 -1.26 -3.27 115.22 121.89 1ssn n HIS 43 Ca 0.46 -2.44 -0.06 0.00 -0.26 0.00 0.00 57.72 55.42 1ssn n HIS 43 Cb 0.42 0.90 0.11 0.00 1.12 0.00 0.00 29.99 32.54 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 -0.10 -1.88 -3.64 4.41 0.18 -1.26 -3.72 117.16 111.15 1ssn n TYR 44 Ca 0.06 -2.01 -0.06 0.00 1.88 0.00 0.00 57.90 57.77 1ssn n TYR 44 Cb 0.77 1.31 -0.07 0.00 -0.38 0.00 0.00 39.34 40.97 1ssn n TYR 44 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1ssn s VAL 45 N -0.33 0.00 0.35 -3.48 0.11 -1.25 -4.40 120.40 111.40 1ssn s VAL 45 Ca 0.21 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 1ssn s VAL 45 Cb 0.41 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.32 1ssn s VAL 45 CO -0.08 0.00 0.82 -1.83 -3.33 0.00 0.00 175.10 170.69 1ssn s GLU 46 N 0.57 2.07 0.06 1.54 -1.05 -1.26 -3.45 118.70 117.17 1ssn s GLU 46 Ca -0.00 -1.32 -0.07 0.00 -0.15 0.00 0.00 54.97 53.43 1ssn s GLU 46 Cb -0.05 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.22 1ssn s GLU 46 CO -0.10 -0.97 0.14 -0.06 0.95 0.00 0.00 175.26 175.23 1ssn s PHE 47 N -2.40 0.19 1.02 4.83 0.08 -1.17 -4.78 117.98 115.74 1ssn s PHE 47 Ca 0.16 -0.56 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 1ssn s PHE 47 Cb -0.05 -0.11 0.20 0.00 -0.57 0.00 0.00 43.02 42.49 1ssn s PHE 47 CO 0.10 -0.46 1.08 -1.25 -0.10 0.00 0.00 175.22 174.59 1ssn s PRO 48 N -3.33 0.29 0.49 0.24 0.04 -1.26 -2.37 135.00 129.10 1ssn s PRO 48 Ca 0.01 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 1ssn s PRO 48 Cb 0.03 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 1ssn s PRO 48 CO -0.08 -2.85 1.37 -1.50 0.04 0.00 0.00 177.00 173.98 1ssn s ILE 49 N -2.87 2.16 -0.35 0.56 1.10 -1.26 -4.64 121.20 115.90 1ssn s ILE 49 Ca 0.66 0.13 0.06 0.00 -0.51 0.00 0.00 60.65 60.98 1ssn s ILE 49 Cb -0.20 -3.07 0.18 0.00 0.15 0.00 0.00 42.46 39.52 1ssn s ILE 49 CO 0.59 0.01 0.54 -0.75 -2.11 0.00 0.00 174.94 173.21 1ssn s LYS 50 N -2.66 0.64 0.90 3.50 2.20 -1.26 -5.05 119.74 118.02 1ssn s LYS 50 Ca 0.66 -0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 56.06 1ssn s LYS 50 Cb -0.41 -0.06 0.21 0.00 -1.51 0.00 0.00 37.83 36.06 1ssn s LYS 50 CO 0.51 -1.12 1.23 -0.35 -0.36 0.00 0.00 175.35 175.25 1ssn n PRO 51 N 4.85 -1.21 0.00 4.03 -0.04 -1.26 -4.51 135.00 136.86 1ssn n PRO 51 Ca 0.07 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1ssn n PRO 51 Cb 0.53 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1ssn n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ssn n GLY 52 N -3.02 2.98 3.77 0.55 0.00 -1.01 -4.99 105.19 103.46 1ssn n GLY 52 Ca 0.15 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.32 2.31 0.11 2.61 -1.32 -1.26 -4.47 115.64 112.29 1ssn s THR 53 Ca 0.00 0.27 -0.28 0.00 -1.21 0.00 0.00 61.69 60.48 1ssn s THR 53 Cb 0.00 -3.16 -0.06 0.00 -1.51 0.00 0.00 72.50 67.77 1ssn s THR 53 CO 0.00 0.04 0.86 -0.89 -2.21 0.00 0.00 174.62 172.42 1ssn s THR 54 N -1.23 4.52 -0.10 5.08 2.01 -1.26 -2.70 115.64 121.95 1ssn s THR 54 Ca 0.60 1.86 0.02 0.00 0.31 0.00 0.00 61.69 64.48 1ssn s THR 54 Cb -0.41 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 1ssn s THR 54 CO 0.53 0.38 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.89 1ssn s LEU 55 N -0.31 2.40 0.05 4.42 1.02 -0.51 -4.82 118.68 120.93 1ssn s LEU 55 Ca 0.42 -0.43 -0.28 0.00 0.02 0.00 0.00 54.13 53.86 1ssn s LEU 55 Cb -0.23 -1.50 0.10 0.00 0.02 0.00 0.00 46.19 44.58 1ssn s LEU 55 CO 0.27 0.19 1.18 0.28 0.02 0.00 0.00 176.35 178.28 1ssn s THR 56 N 0.20 0.00 0.50 5.49 -1.32 -1.26 -1.92 115.64 117.34 1ssn s THR 56 Ca -0.11 -0.37 0.17 0.00 -1.21 0.00 0.00 61.69 60.16 1ssn s THR 56 Cb -0.16 -2.20 0.25 0.00 -1.51 0.00 0.00 72.50 68.88 1ssn s THR 56 CO 0.06 0.00 2.11 0.07 -2.21 0.00 0.00 174.62 174.66 1ssn h LYS 57 N 2.00 0.00 0.00 7.08 2.10 -1.77 0.16 116.57 126.14 1ssn h LYS 57 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1ssn h LYS 57 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1ssn h LYS 57 CO 0.29 0.05 -0.24 -0.85 -2.00 0.00 0.00 179.45 176.70 1ssn n GLU 58 N -4.41 0.18 -0.06 0.07 -0.00 -1.26 -3.27 120.64 111.88 1ssn n GLU 58 Ca -0.03 0.10 -0.05 0.00 -0.00 0.00 0.00 57.16 57.19 1ssn n GLU 58 Cb 0.13 -1.66 -0.15 0.00 -0.00 0.00 0.00 31.44 29.76 1ssn n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ssn n LYS 59 N -1.95 0.67 -0.17 3.44 4.76 -0.55 -4.34 118.16 120.03 1ssn n LYS 59 Ca 0.05 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 1ssn n LYS 59 Cb 0.40 -1.57 0.02 0.00 -1.84 0.00 0.00 35.03 32.04 1ssn n LYS 59 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1ssn h ILE 60 N 0.00 1.27 0.31 -0.18 -0.00 -0.81 -3.29 117.51 114.80 1ssn h ILE 60 Ca -0.38 -1.32 -0.02 0.00 -0.00 0.00 0.00 64.86 63.14 1ssn h ILE 60 Cb 1.91 1.05 0.00 0.00 -0.00 0.00 0.00 36.82 39.78 1ssn h ILE 60 CO 0.03 0.46 -0.15 1.05 -0.00 0.00 0.00 178.15 179.54 1ssn h GLU 61 N 0.88 -0.40 -0.31 2.19 -0.00 -1.75 -2.99 114.58 112.20 1ssn h GLU 61 Ca 0.12 0.03 -0.08 0.00 -0.00 0.00 0.00 59.36 59.43 1ssn h GLU 61 Cb 0.74 0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 29.56 1ssn h GLU 61 CO 0.06 -0.07 -0.16 0.10 -0.00 0.00 0.00 179.01 178.94 1ssn h TYR 62 N -0.81 0.59 0.31 2.06 -0.00 -1.76 -2.65 116.97 114.72 1ssn h TYR 62 Ca -0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.73 58.57 1ssn h TYR 62 Cb 0.51 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.09 1ssn h TYR 62 CO 0.03 0.68 -0.15 -0.92 -0.00 0.00 0.00 178.16 177.80 1ssn h TYR 63 N 0.50 -0.39 -0.27 0.10 3.20 -1.63 -2.23 116.97 116.25 1ssn h TYR 63 Ca 0.09 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 1ssn h TYR 63 Cb 0.56 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1ssn h TYR 63 CO 0.02 -0.11 -0.38 -0.39 -1.64 0.00 0.00 178.16 175.65 1ssn h VAL 64 N -0.62 1.29 -0.83 1.81 -1.51 -1.55 -2.80 116.25 112.04 1ssn h VAL 64 Ca -0.04 -1.54 -0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1ssn h VAL 64 Cb 0.45 1.50 -0.04 0.00 -2.13 0.00 0.00 31.29 31.07 1ssn h VAL 64 CO 0.07 0.49 0.50 -0.33 -1.23 0.00 0.00 177.57 177.08 1ssn h GLU 65 N 0.51 1.12 -0.09 5.19 5.08 -1.46 -2.19 114.58 122.73 1ssn h GLU 65 Ca 0.05 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1ssn h GLU 65 Cb 0.89 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ssn h GLU 65 CO 0.08 0.78 -0.59 -1.49 -1.00 0.00 0.00 179.01 176.79 1ssn h TRP 66 N 1.14 0.39 0.28 4.33 -0.00 -1.32 -1.79 115.95 118.98 1ssn h TRP 66 Ca 0.30 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 1ssn h TRP 66 Cb -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 29.04 1ssn h TRP 66 CO -0.00 0.82 -0.13 0.00 -0.00 0.00 0.00 178.44 179.12 1ssn h ALA 67 N 1.15 -0.38 0.00 1.49 0.00 -1.22 -1.47 119.26 118.83 1ssn h ALA 67 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1ssn h ALA 67 Cb 1.10 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ssn h ALA 67 CO 0.10 -0.57 -0.29 1.37 0.00 0.00 0.00 179.25 179.86 1ssn h LEU 68 N -0.66 0.00 -0.98 0.00 8.10 -1.47 -1.86 115.31 118.45 1ssn h LEU 68 Ca -0.04 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.85 1ssn h LEU 68 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 1ssn h LEU 68 CO 0.06 0.29 -0.31 -0.78 -4.11 0.00 0.00 178.44 173.59 1ssn h ASP 69 N 0.00 0.36 -0.04 0.17 3.58 -1.27 0.11 116.42 119.33 1ssn h ASP 69 Ca -0.00 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1ssn h ASP 69 Cb 0.59 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1ssn h ASP 69 CO 0.04 0.66 0.03 0.00 -2.88 0.00 0.00 179.24 177.08 1ssn n ALA 70 N -2.48 2.63 0.08 -0.78 0.00 -0.56 -2.19 120.51 117.21 1ssn n ALA 70 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ssn n ALA 70 Cb 0.43 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1ssn n ALA 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ssn n THR 71 N 0.37 0.00 0.00 0.00 -1.04 -1.05 -4.98 114.28 107.58 1ssn n THR 71 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1ssn n THR 71 Cb 0.52 -0.16 -0.09 0.00 -1.82 0.00 0.00 70.33 68.77 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ssn h ALA 72 N 0.00 -0.09 -1.26 2.41 0.00 -1.12 -3.50 119.26 115.69 1ssn h ALA 72 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ssn h ALA 72 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ssn h ALA 72 CO 0.00 -0.21 -0.34 0.98 0.00 0.00 0.00 179.25 179.68 1ssn n TYR 73 N -4.82 -1.45 0.00 0.00 9.36 -0.93 -4.83 117.16 114.48 1ssn n TYR 73 Ca -0.08 0.79 0.00 0.00 3.32 0.00 0.00 57.90 61.92 1ssn n TYR 73 Cb 0.30 -1.53 0.00 0.00 -0.63 0.00 0.00 39.34 37.49 1ssn n TYR 73 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ssn n LYS 74 N -1.96 0.00 0.00 2.98 4.81 -1.26 -4.43 118.16 118.30 1ssn n LYS 74 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ssn n LYS 74 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1ssn n LYS 74 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 75 N -0.28 0.00 0.00 1.64 2.13 -1.26 -4.87 120.64 118.00 1ssn n GLU 75 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ssn n GLU 75 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ssn n GLU 75 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1ssn n PHE 76 N 0.00 0.00 0.28 4.31 3.72 -1.26 -4.83 117.46 119.68 1ssn n PHE 76 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1ssn n PHE 76 Cb 0.00 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.42 1ssn n PHE 76 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1ssn h ARG 77 N 0.00 -0.97 -5.56 -1.08 9.65 -1.87 -3.48 114.38 111.07 1ssn h ARG 77 Ca 0.00 0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 1ssn h ARG 77 Cb 0.00 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1ssn h ARG 77 CO 0.00 -0.64 -0.49 0.28 2.80 0.00 0.00 179.97 181.91 1ssn n VAL 78 N -5.56 -9.47 0.36 0.20 0.31 -1.26 -4.96 118.33 97.95 1ssn n VAL 78 Ca -0.12 0.43 -0.18 0.00 -0.01 0.00 0.00 64.34 64.46 1ssn n VAL 78 Cb 0.46 -6.46 -0.09 0.00 -0.91 0.00 0.00 33.84 26.84 1ssn n VAL 78 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ssn h VAL 79 N 1.45 0.00 -1.82 2.52 2.07 -1.53 -3.46 116.25 115.48 1ssn h VAL 79 Ca -0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1ssn h VAL 79 Cb 1.08 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.63 1ssn h VAL 79 CO 0.24 0.00 0.08 -0.70 0.02 0.00 0.00 177.57 177.21 1ssn s GLU 80 N -5.65 0.58 0.55 1.57 2.12 -1.24 -5.05 118.70 111.58 1ssn s GLU 80 Ca -0.17 1.12 -0.13 0.00 0.36 0.00 0.00 54.97 56.15 1ssn s GLU 80 Cb 0.03 0.32 -0.06 0.00 0.26 0.00 0.00 34.13 34.68 1ssn s GLU 80 CO 0.55 -0.14 0.97 -0.48 -0.54 0.00 0.00 175.26 175.62 1ssn s LEU 81 N 1.93 3.46 -0.02 2.70 -0.00 -1.26 -2.43 118.68 123.06 1ssn s LEU 81 Ca -0.08 1.42 -0.30 0.00 -0.00 0.00 0.00 54.13 55.17 1ssn s LEU 81 Cb -0.06 -4.41 -0.05 0.00 -0.00 0.00 0.00 46.19 41.66 1ssn s LEU 81 CO -0.19 -0.70 1.47 -1.81 -0.00 0.00 0.00 176.35 175.12 1ssn s ASP 82 N -3.65 6.79 0.33 1.48 1.11 -0.97 -4.90 116.67 116.86 1ssn s ASP 82 Ca 0.56 2.15 0.08 0.00 0.18 0.00 0.00 52.55 55.52 1ssn s ASP 82 Cb -0.10 -2.55 0.57 0.00 1.07 0.00 0.00 42.92 41.90 1ssn s ASP 82 CO 0.42 -0.78 1.76 1.55 1.18 0.00 0.00 175.17 179.31 1ssn h PRO 83 N 8.24 0.19 -2.71 8.23 0.13 -1.95 -3.06 132.00 141.06 1ssn h PRO 83 Ca -0.38 -0.08 -0.74 0.00 -0.87 0.00 0.00 66.00 63.94 1ssn h PRO 83 Cb 1.17 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1ssn h PRO 83 CO 0.92 0.52 2.46 0.43 -0.23 0.00 0.00 178.00 182.10 1ssn n SER 84 N -4.08 7.83 -4.60 1.44 7.64 -1.26 -4.84 113.62 115.75 1ssn n SER 84 Ca -0.01 -3.11 -0.28 0.00 1.01 0.00 0.00 58.87 56.47 1ssn n SER 84 Cb 0.43 -1.38 0.20 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.85 0.44 -0.04 -0.43 0.00 -1.16 -4.96 121.76 114.75 1ssn s ALA 85 Ca 0.54 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 1ssn s ALA 85 Cb 0.18 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.19 1ssn s ALA 85 CO -0.08 -3.21 0.36 -1.59 0.00 0.00 0.00 175.76 171.23 1ssn s LYS 86 N -4.83 0.67 -0.30 0.00 -2.85 -1.26 -3.41 119.74 107.77 1ssn s LYS 86 Ca 0.66 -0.03 0.03 0.00 -1.00 0.00 0.00 55.97 55.64 1ssn s LYS 86 Cb -0.20 0.30 0.08 0.00 -2.06 0.00 0.00 37.83 35.95 1ssn s LYS 86 CO 0.60 -0.18 -0.03 0.42 0.10 0.00 0.00 175.35 176.26 1ssn s ILE 87 N -1.07 2.27 -1.28 3.79 1.09 -0.59 -4.06 121.20 121.36 1ssn s ILE 87 Ca -0.11 -1.96 -0.14 0.00 -1.10 0.00 0.00 60.65 57.34 1ssn s ILE 87 Cb -0.04 -2.50 0.13 0.00 -1.06 0.00 0.00 42.46 38.99 1ssn s ILE 87 CO 0.04 -0.30 1.70 -0.62 -0.10 0.00 0.00 174.94 175.66 1ssn n GLU 88 N 4.36 3.31 -2.07 2.79 1.02 -1.14 -2.35 120.64 126.56 1ssn n GLU 88 Ca -0.06 -3.48 -0.33 0.00 -0.02 0.00 0.00 57.16 53.27 1ssn n GLU 88 Cb 0.42 -3.17 -0.04 0.00 -0.02 0.00 0.00 31.44 28.63 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ssn s VAL 89 N 2.23 3.43 -1.26 2.62 0.11 -1.00 -3.28 120.40 123.24 1ssn s VAL 89 Ca 0.46 -0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.28 1ssn s VAL 89 Cb 0.04 -4.03 0.15 0.00 -1.53 0.00 0.00 36.38 31.01 1ssn s VAL 89 CO 0.01 -0.98 1.69 0.41 -3.33 0.00 0.00 175.10 172.90 1ssn n THR 90 N 7.51 4.22 -2.11 5.04 -1.04 -1.08 -3.21 114.28 123.61 1ssn n THR 90 Ca 0.30 -4.44 -0.42 0.00 -2.04 0.00 0.00 64.05 57.45 1ssn n THR 90 Cb 0.49 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.56 1ssn n THR 90 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ssn s TYR 91 N 1.43 2.30 0.02 -1.42 -0.85 -1.09 -4.25 117.35 113.48 1ssn s TYR 91 Ca 0.43 0.44 0.01 0.00 -0.52 0.00 0.00 57.07 57.43 1ssn s TYR 91 Cb 0.04 -3.80 -0.01 0.00 0.38 0.00 0.00 41.96 38.56 1ssn s TYR 91 CO 0.00 -3.24 -0.03 -0.47 -1.52 0.00 0.00 175.55 170.29 1ssn s TYR 92 N 3.60 0.29 0.29 -3.49 5.04 -1.26 -2.10 117.35 119.72 1ssn s TYR 92 Ca 0.68 -0.36 -0.06 0.00 -2.44 0.00 0.00 57.07 54.89 1ssn s TYR 92 Cb -0.31 -0.19 0.03 0.00 0.35 0.00 0.00 41.96 41.83 1ssn s TYR 92 CO 0.26 -0.11 0.49 -0.40 -1.34 0.00 0.00 175.55 174.46 1ssn n ASP 93 N 2.05 -1.41 -3.07 4.32 5.75 -1.26 -3.88 116.55 119.05 1ssn n ASP 93 Ca -0.20 -2.35 -0.21 0.00 -0.01 0.00 0.00 54.79 52.02 1ssn n ASP 93 Cb 0.56 2.45 -0.03 0.00 -1.03 0.00 0.00 41.12 43.08 1ssn n ASP 93 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ssn n LYS 94 N -0.43 1.73 0.06 0.11 3.00 -1.26 -4.36 118.16 117.01 1ssn n LYS 94 Ca -0.03 -3.85 0.00 0.00 -0.00 0.00 0.00 58.31 54.43 1ssn n LYS 94 Cb 0.46 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.63 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ssn n ASN 95 N 0.08 -0.34 -2.71 3.14 3.02 -1.26 -4.97 115.26 112.23 1ssn n ASN 95 Ca 0.26 0.20 -0.08 0.00 -0.03 0.00 0.00 54.58 54.94 1ssn n ASN 95 Cb 0.59 0.45 0.10 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.84 0.96 0.15 3.52 2.85 -1.26 -5.01 118.16 116.53 1ssn n LYS 96 Ca 0.00 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.53 1ssn n LYS 96 Cb 0.00 -0.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 1ssn n LYS 96 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ssn n LYS 97 N 0.04 0.00 0.00 -1.58 4.81 -1.26 -5.02 118.16 115.15 1ssn n LYS 97 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ssn n LYS 97 Cb 0.75 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.80 1ssn n LYS 97 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ssn n LYS 98 N -3.08 0.00 -1.75 1.64 4.81 -1.26 -4.95 118.16 113.57 1ssn n LYS 98 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1ssn n LYS 98 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1ssn n LYS 98 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 99 N -1.90 2.65 -3.44 1.64 2.13 -1.26 -4.51 120.64 115.94 1ssn n GLU 99 Ca 0.00 0.94 -0.08 0.00 0.66 0.00 0.00 57.16 58.67 1ssn n GLU 99 Cb 0.00 -2.69 -0.08 0.00 0.27 0.00 0.00 31.44 28.93 1ssn n GLU 99 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ssn s GLU 100 N -1.01 0.35 -1.22 5.31 2.12 -0.89 -5.00 118.70 118.37 1ssn s GLU 100 Ca 0.61 0.71 -0.19 0.00 0.36 0.00 0.00 54.97 56.46 1ssn s GLU 100 Cb -0.50 -0.18 0.06 0.00 0.26 0.00 0.00 34.13 33.78 1ssn s GLU 100 CO 0.53 -0.51 1.66 0.99 -0.54 0.00 0.00 175.26 177.39 1ssn s THR 101 N 2.58 4.06 -0.51 -1.70 2.01 -1.26 -2.67 115.64 118.14 1ssn s THR 101 Ca 0.08 -1.57 -0.27 0.00 0.31 0.00 0.00 61.69 60.24 1ssn s THR 101 Cb -0.14 -5.15 0.03 0.00 0.01 0.00 0.00 72.50 67.25 1ssn s THR 101 CO -0.15 -1.99 1.05 -0.75 -0.69 0.00 0.00 174.62 172.09 1ssn s LYS 102 N 4.47 3.54 -1.42 4.92 2.47 -1.20 -4.94 119.74 127.59 1ssn s LYS 102 Ca 0.52 0.21 -0.09 0.00 -1.56 0.00 0.00 55.97 55.06 1ssn s LYS 102 Cb 0.03 -3.97 0.06 0.00 -1.46 0.00 0.00 37.83 32.49 1ssn s LYS 102 CO 0.03 -1.43 2.41 -1.13 0.16 0.00 0.00 175.35 175.38 1ssn n SER 103 N 7.73 7.00 -4.61 1.43 3.41 -1.26 -2.39 113.62 124.93 1ssn n SER 103 Ca 0.08 -2.94 -0.43 0.00 -0.26 0.00 0.00 58.87 55.32 1ssn n SER 103 Cb 0.49 -1.48 -0.03 0.00 -0.26 0.00 0.00 64.21 62.92 1ssn n SER 103 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ssn s PHE 104 N 0.69 1.30 0.00 7.33 5.36 -0.99 -4.82 117.98 126.85 1ssn s PHE 104 Ca 0.54 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 1ssn s PHE 104 Cb 0.16 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1ssn s PHE 104 CO -0.06 -4.13 0.00 -0.35 -1.46 0.00 0.00 175.22 169.21 1ssn n PRO 105 N 8.48 0.00 -3.47 10.12 -0.04 -1.26 -1.54 135.00 147.29 1ssn n PRO 105 Ca 0.27 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1ssn n PRO 105 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 1ssn n PRO 105 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ssn s ILE 106 N 0.00 0.00 0.46 0.52 1.10 -1.22 -3.44 121.20 118.63 1ssn s ILE 106 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.21 1ssn s ILE 106 Cb 0.00 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.62 1ssn s ILE 106 CO 0.00 0.00 0.43 0.42 -2.11 0.00 0.00 174.94 173.68 1ssn s THR 107 N -2.65 2.35 -0.54 4.00 -4.23 -1.26 -4.96 115.64 108.36 1ssn s THR 107 Ca -0.04 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1ssn s THR 107 Cb -0.01 -2.70 0.40 0.00 1.34 0.00 0.00 72.50 71.53 1ssn s THR 107 CO -0.03 0.00 1.27 -0.62 -0.54 0.00 0.00 174.62 174.70 1ssn n GLU 108 N -1.68 3.34 0.00 3.99 1.02 -1.26 -2.19 120.64 123.86 1ssn n GLU 108 Ca 0.04 -4.37 0.00 0.00 -0.02 0.00 0.00 57.16 52.80 1ssn n GLU 108 Cb 0.62 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1ssn n GLU 108 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ssn n LYS 109 N -0.46 0.00 0.00 3.49 4.81 -1.26 -5.02 118.16 119.72 1ssn n LYS 109 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1ssn n LYS 109 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1ssn n LYS 109 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 110 N -0.74 4.25 3.34 3.14 0.00 -1.26 -4.91 105.19 109.01 1ssn n GLY 110 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.35 -0.73 0.11 1.61 -0.12 -0.81 -4.91 117.98 111.78 1ssn s PHE 111 Ca 0.00 1.49 -0.31 0.00 -0.05 0.00 0.00 56.93 58.06 1ssn s PHE 111 Cb 0.00 0.35 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 1ssn s PHE 111 CO 0.00 -0.40 1.31 0.08 -0.05 0.00 0.00 175.22 176.15 1ssn s VAL 112 N 1.69 3.56 -0.04 -2.49 1.01 -1.26 -1.42 120.40 121.45 1ssn s VAL 112 Ca -0.08 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1ssn s VAL 112 Cb -0.09 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1ssn s VAL 112 CO -0.14 0.10 1.48 -0.69 0.00 0.00 0.00 175.10 175.85 1ssn s VAL 113 N 0.95 3.71 0.00 2.92 1.01 -1.10 -4.94 120.40 122.95 1ssn s VAL 113 Ca 0.61 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1ssn s VAL 113 Cb -0.34 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1ssn s VAL 113 CO 0.31 -0.04 0.00 -0.81 0.00 0.00 0.00 175.10 174.55 1ssn n PRO 114 N 6.14 0.00 -3.76 2.72 -0.04 -1.26 -2.42 135.00 136.39 1ssn n PRO 114 Ca 0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1ssn n PRO 114 Cb 0.43 -0.02 -0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1ssn n PRO 114 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1ssn s ASP 115 N -1.20 -0.11 -0.22 3.54 -4.77 -1.26 -4.59 116.67 108.06 1ssn s ASP 115 Ca 0.00 -0.39 -0.18 0.00 -3.30 0.00 0.00 52.55 48.67 1ssn s ASP 115 Cb 0.00 0.41 0.06 0.00 -1.09 0.00 0.00 42.92 42.30 1ssn s ASP 115 CO 0.00 -0.77 0.58 -1.48 0.70 0.00 0.00 175.17 174.20 1ssn s LEU 116 N -3.07 -0.33 0.00 2.11 -0.00 -1.26 -5.18 118.68 110.96 1ssn s LEU 116 Ca 0.15 1.20 -0.10 0.00 -0.00 0.00 0.00 54.13 55.38 1ssn s LEU 116 Cb -0.00 1.99 0.04 0.00 -0.00 0.00 0.00 46.19 48.21 1ssn s LEU 116 CO 0.01 -0.21 0.49 -0.24 -0.00 0.00 0.00 176.35 176.41 1ssn n SER 117 N 3.18 -0.88 0.00 1.48 2.88 -0.90 -4.89 113.62 114.49 1ssn n SER 117 Ca -0.16 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 1ssn n SER 117 Cb 0.56 1.43 0.00 0.00 -0.75 0.00 0.00 64.21 65.45 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 -0.35 0.00 -0.11 -1.46 0.00 -1.26 -2.79 120.64 114.68 1ssn n GLU 118 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.92 1ssn n GLU 118 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.65 1ssn n GLU 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1ssn n HIS 119 N 0.00 0.00 -2.51 4.31 1.44 -1.26 -4.88 115.22 112.32 1ssn n HIS 119 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1ssn n HIS 119 Cb 0.00 -0.76 -0.03 0.00 0.12 0.00 0.00 29.99 29.32 1ssn n HIS 119 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1ssn s ILE 120 N -2.40 3.89 0.00 0.61 1.10 -1.12 -4.75 121.20 118.53 1ssn s ILE 120 Ca -0.30 0.74 0.00 0.00 -0.51 0.00 0.00 60.65 60.58 1ssn s ILE 120 Cb 0.11 -4.65 0.00 0.00 0.15 0.00 0.00 42.46 38.07 1ssn s ILE 120 CO 0.38 -1.36 0.41 0.29 -2.11 0.00 0.00 174.94 172.55 1ssn n LYS 121 N 8.67 0.00 -2.89 3.50 5.02 -1.26 -2.11 118.16 129.09 1ssn n LYS 121 Ca 0.09 -0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 55.84 1ssn n LYS 121 Cb 0.49 -0.41 0.04 0.00 -0.02 0.00 0.00 35.03 35.12 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 0.00 -1.49 0.00 4.39 2.04 -1.25 -2.69 115.26 116.25 1ssn n ASN 122 Ca 0.00 -3.35 0.00 0.00 -0.44 0.00 0.00 54.58 50.79 1ssn n ASN 122 Cb 0.50 1.06 0.00 0.00 -2.53 0.00 0.00 39.78 38.81 1ssn n ASN 122 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ssn n PRO 123 N 0.76 0.00 0.00 -0.53 -0.04 -1.26 -4.33 135.00 129.60 1ssn n PRO 123 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1ssn n PRO 123 Cb 0.66 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1ssn n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ssn n GLY 124 N 1.42 0.81 3.55 0.55 0.00 -1.24 -4.54 105.19 105.75 1ssn n GLY 124 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 2.07 -0.87 1.61 0.40 -0.89 -2.62 117.98 117.69 1ssn s PHE 125 Ca 0.00 0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.27 1ssn s PHE 125 Cb 0.00 -4.37 0.14 0.00 0.51 0.00 0.00 43.02 39.30 1ssn s PHE 125 CO 0.00 -2.02 1.02 -0.80 0.70 0.00 0.00 175.22 174.12 1ssn s ASN 126 N 6.16 6.59 -1.36 1.36 0.01 -1.20 -2.11 114.94 124.38 1ssn s ASN 126 Ca 0.54 -2.04 -0.10 0.00 -0.71 0.00 0.00 52.86 50.55 1ssn s ASN 126 Cb -0.07 -2.36 -0.07 0.00 0.41 0.00 0.00 41.25 39.16 1ssn s ASN 126 CO 0.07 -1.01 2.60 0.18 -1.51 0.00 0.00 177.10 177.42 1ssn n LEU 127 N 6.16 7.25 -4.59 0.60 7.99 -0.05 -2.91 117.00 131.46 1ssn n LEU 127 Ca 0.18 -3.84 -0.35 0.00 -0.01 0.00 0.00 56.01 51.99 1ssn n LEU 127 Cb 0.48 -1.41 -0.10 0.00 -0.11 0.00 0.00 43.42 42.27 1ssn n LEU 127 CO 0.49 1.44 -0.26 -0.63 -1.51 0.00 0.00 177.39 176.92 1ssn s ILE 128 N 2.76 4.63 -0.11 -0.08 1.09 -1.26 -2.66 121.20 125.56 1ssn s ILE 128 Ca 0.58 -0.09 -0.06 0.00 -1.10 0.00 0.00 60.65 59.98 1ssn s ILE 128 Cb 0.15 -3.10 0.04 0.00 -1.06 0.00 0.00 42.46 38.50 1ssn s ILE 128 CO -0.05 0.44 0.27 -0.89 -0.10 0.00 0.00 174.94 174.61 1ssn s THR 129 N 0.63 -0.03 0.19 2.92 2.01 -1.24 -4.36 115.64 115.76 1ssn s THR 129 Ca 0.03 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 1ssn s THR 129 Cb -0.13 -0.41 -0.10 0.00 0.01 0.00 0.00 72.50 71.86 1ssn s THR 129 CO 0.02 0.05 1.54 -0.54 -0.69 0.00 0.00 174.62 174.99 1ssn s LYS 130 N 1.11 4.22 0.08 4.92 -0.14 -1.26 -2.53 119.74 126.15 1ssn s LYS 130 Ca -0.08 2.36 0.01 0.00 -1.36 0.00 0.00 55.97 56.90 1ssn s LYS 130 Cb -0.09 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.89 1ssn s LYS 130 CO -0.08 -0.56 -0.06 0.14 -0.76 0.00 0.00 175.35 174.04 1ssn s VAL 131 N 0.79 0.56 -0.20 3.17 -7.23 -1.06 -2.29 120.40 114.15 1ssn s VAL 131 Ca 0.67 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1ssn s VAL 131 Cb -0.43 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1ssn s VAL 131 CO 0.35 -0.90 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.54 1ssn s VAL 132 N -3.65 3.84 0.04 1.32 1.01 -1.02 -2.14 120.40 119.80 1ssn s VAL 132 Ca 0.10 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ssn s VAL 132 Cb 0.06 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1ssn s VAL 132 CO -0.06 0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 174.70 1ssn s ILE 133 N 0.97 1.17 0.16 2.22 1.01 -0.38 -1.24 121.20 125.10 1ssn s ILE 133 Ca 0.01 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.72 1ssn s ILE 133 Cb -0.14 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1ssn s ILE 133 CO 0.01 0.03 -0.16 -1.61 0.00 0.00 0.00 174.94 173.22 1ssn s GLU 134 N -1.12 1.19 0.28 2.79 2.02 -1.26 -4.15 118.70 118.45 1ssn s GLU 134 Ca 0.02 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.33 1ssn s GLU 134 Cb -0.08 -1.10 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 1ssn s GLU 134 CO 0.01 0.21 1.02 0.21 0.02 0.00 0.00 175.26 176.73 1ssn s LYS 135 N -2.98 4.68 0.00 1.61 2.20 -1.26 -2.97 119.74 121.03 1ssn s LYS 135 Ca 0.15 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1ssn s LYS 135 Cb -0.04 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1ssn s LYS 135 CO 0.05 0.31 0.00 0.36 -0.36 0.00 0.00 175.35 175.71