#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 2.15 -1.34 4.04 0.01 -0.47 -4.62 113.70 113.48 1ssn s SER 2 Ca 0.00 -1.38 -0.09 0.00 1.31 0.00 0.00 55.95 55.79 1ssn s SER 2 Cb 0.00 -0.04 0.12 0.00 0.21 0.00 0.00 66.02 66.32 1ssn s SER 2 CO 0.00 -0.63 2.10 -1.20 0.41 0.00 0.00 173.24 173.92 1ssn n SER 3 N -0.64 5.74 -3.10 2.44 7.64 -1.26 -4.27 113.62 120.16 1ssn n SER 3 Ca -0.02 -3.05 -0.00 0.00 1.01 0.00 0.00 58.87 56.81 1ssn n SER 3 Cb 0.67 -1.48 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1ssn n SER 3 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1ssn n PHE 4 N 3.72 -0.60 -0.95 1.43 -1.74 -1.26 -4.97 117.46 113.08 1ssn n PHE 4 Ca 0.48 0.29 -0.29 0.00 -0.56 0.00 0.00 57.45 57.38 1ssn n PHE 4 Cb 0.33 -1.44 0.20 0.00 1.52 0.00 0.00 39.48 40.09 1ssn n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1ssn s ASP 5 N -0.87 2.11 0.00 5.98 1.01 -1.26 -3.79 116.67 119.85 1ssn s ASP 5 Ca -0.01 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.59 1ssn s ASP 5 Cb 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1ssn s ASP 5 CO 0.12 -3.47 0.00 0.29 0.21 0.00 0.00 175.17 172.31 1ssn n LYS 6 N -4.42 0.00 -2.54 8.23 4.01 -1.26 -4.53 118.16 117.66 1ssn n LYS 6 Ca 0.05 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.77 1ssn n LYS 6 Cb 0.56 -0.06 0.04 0.00 -0.51 0.00 0.00 35.03 35.06 1ssn n LYS 6 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ssn n GLY 7 N 0.00 0.03 3.42 0.72 0.00 -1.25 -4.01 105.19 104.10 1ssn n GLY 7 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.40 -2.15 -4.04 1.61 5.02 -1.26 -5.02 118.16 109.92 1ssn n LYS 8 Ca -0.10 0.72 -0.34 0.00 -2.02 0.00 0.00 58.31 56.57 1ssn n LYS 8 Cb 0.57 -5.23 -0.15 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.43 2.88 -0.29 2.13 5.04 -1.26 -4.88 117.35 117.54 1ssn s TYR 9 Ca 0.43 -1.46 0.10 0.00 -2.44 0.00 0.00 57.07 53.70 1ssn s TYR 9 Cb -0.09 -1.99 0.47 0.00 0.35 0.00 0.00 41.96 40.70 1ssn s TYR 9 CO 0.78 -0.73 1.17 1.63 -1.34 0.00 0.00 175.55 177.06 1ssn n LYS 10 N 4.67 3.21 0.00 4.97 4.01 -1.26 -4.47 118.16 129.29 1ssn n LYS 10 Ca -0.19 -4.05 0.00 0.00 -0.51 0.00 0.00 58.31 53.56 1ssn n LYS 10 Cb 0.50 -2.13 0.00 0.00 -0.51 0.00 0.00 35.03 32.88 1ssn n LYS 10 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ssn n LYS 11 N -0.67 0.00 -2.69 1.97 5.02 -1.26 -1.96 118.16 118.57 1ssn n LYS 11 Ca 0.36 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.59 1ssn n LYS 11 Cb 0.92 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 36.05 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ssn n GLY 12 N 0.00 1.47 3.52 0.72 0.00 -1.26 -5.04 105.19 104.60 1ssn n GLY 12 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.79 -0.62 -3.62 1.61 9.92 -0.83 -1.02 116.55 121.21 1ssn n ASP 13 Ca -0.06 -0.42 -0.21 0.00 -0.53 0.00 0.00 54.79 53.58 1ssn n ASP 13 Cb 0.86 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 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 -0.33 -5.50 -3.00 -2.24 9.92 -1.26 -3.38 116.55 110.76 1ssn n ASP 14 Ca -0.07 -0.71 -0.01 0.00 -0.53 0.00 0.00 54.79 53.47 1ssn n ASP 14 Cb 0.20 -2.40 0.00 0.00 -0.64 0.00 0.00 41.12 38.28 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ssn n ALA 15 N -2.23 -2.57 -1.94 2.24 0.00 -0.92 -4.17 120.51 110.91 1ssn n ALA 15 Ca -0.24 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1ssn n ALA 15 Cb 0.65 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.92 6.01 0.64 0.00 0.15 -0.19 -4.40 113.70 113.00 1ssn s SER 16 Ca 0.04 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1ssn s SER 16 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1ssn s SER 16 CO 0.74 -1.56 0.00 -1.22 1.20 0.00 0.00 173.24 172.40 1ssn n TYR 17 N 9.73 -2.56 -2.43 3.44 4.02 -1.26 -5.03 117.16 123.07 1ssn n TYR 17 Ca 0.23 0.68 -0.01 0.00 -0.01 0.00 0.00 57.90 58.79 1ssn n TYR 17 Cb 0.45 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 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 -2.67 -2.96 -0.92 -0.72 7.35 -1.26 -4.94 117.46 111.34 1ssn n PHE 18 Ca 0.00 1.30 0.12 0.00 -0.76 0.00 0.00 57.45 58.11 1ssn n PHE 18 Cb 0.25 -3.41 -0.05 0.00 0.35 0.00 0.00 39.48 36.62 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 0.39 -2.03 -1.66 -4.13 1.02 -1.26 -4.59 120.64 108.37 1ssn n GLU 19 Ca 0.01 1.56 -0.40 0.00 -0.02 0.00 0.00 57.16 58.32 1ssn n GLU 19 Cb 0.06 -2.41 -0.03 0.00 -0.02 0.00 0.00 31.44 29.03 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1ssn s PRO 20 N -3.09 2.73 0.13 3.49 0.02 -1.26 -4.62 135.00 132.40 1ssn s PRO 20 Ca 0.00 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1ssn s PRO 20 Cb 0.00 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 30.09 1ssn s PRO 20 CO 0.00 -2.56 0.00 0.25 -0.33 0.00 0.00 177.00 174.36 1ssn n THR 21 N 7.78 0.00 -3.50 0.99 -2.24 -1.26 -5.06 114.28 110.98 1ssn n THR 21 Ca 0.31 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1ssn n THR 21 Cb 0.49 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 -4.71 -0.28 1.20 3.38 0.00 -1.26 -4.98 107.32 100.67 1ssn s GLY 22 Ca 0.00 2.90 -0.15 0.00 0.00 0.00 0.00 44.72 47.47 1ssn s GLY 22 CO 0.00 3.05 0.75 -1.05 0.00 0.00 0.00 173.10 175.86 1ssn n PRO 23 N 4.82 -2.58 -3.64 2.90 -0.02 -1.26 -4.65 135.00 130.56 1ssn n PRO 23 Ca -0.12 -0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 60.54 1ssn n PRO 23 Cb 0.53 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1ssn n PRO 23 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ssn s TYR 24 N -2.33 -0.33 -0.37 6.00 1.13 -1.17 -4.61 117.35 115.67 1ssn s TYR 24 Ca 0.65 0.02 0.07 0.00 -1.41 0.00 0.00 57.07 56.40 1ssn s TYR 24 Cb -0.22 0.63 0.19 0.00 -1.10 0.00 0.00 41.96 41.46 1ssn s TYR 24 CO 0.65 -0.98 0.63 -1.17 -2.51 0.00 0.00 175.55 172.17 1ssn s LEU 25 N -2.82 -1.53 -0.55 -3.49 0.20 0.10 -2.28 118.68 108.31 1ssn s LEU 25 Ca 0.07 -0.48 -0.23 0.00 0.69 0.00 0.00 54.13 54.18 1ssn s LEU 25 Cb -0.03 1.94 0.05 0.00 -0.43 0.00 0.00 46.19 47.72 1ssn s LEU 25 CO -0.03 -0.20 0.90 -0.04 -0.29 0.00 0.00 176.35 176.69 1ssn s MET 26 N 2.15 3.28 -0.62 1.98 -1.94 -1.22 -0.93 119.30 122.00 1ssn s MET 26 Ca 0.14 -0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 53.59 1ssn s MET 26 Cb -0.06 -4.07 0.16 0.00 2.01 0.00 0.00 34.83 32.87 1ssn s MET 26 CO -0.13 -1.48 0.56 0.08 -0.01 0.00 0.00 175.02 174.04 1ssn s VAL 27 N 3.78 5.13 0.23 -6.03 1.01 -1.26 -1.71 120.40 121.55 1ssn s VAL 27 Ca 0.28 -1.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.13 1ssn s VAL 27 Cb -0.14 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.03 1ssn s VAL 27 CO 0.17 -0.91 0.86 0.20 0.00 0.00 0.00 175.10 175.43 1ssn s ASN 28 N 2.91 -0.17 0.45 3.32 0.02 -1.17 -4.76 114.94 115.54 1ssn s ASN 28 Ca 0.08 -0.58 0.07 0.00 -1.02 0.00 0.00 52.86 51.42 1ssn s ASN 28 Cb -0.23 0.62 0.07 0.00 0.02 0.00 0.00 41.25 41.73 1ssn s ASN 28 CO -0.01 -1.16 0.60 1.33 0.02 0.00 0.00 177.10 177.88 1ssn n VAL 29 N -0.49 0.00 -3.79 1.60 0.24 -1.26 -2.16 118.33 112.47 1ssn n VAL 29 Ca -0.05 -1.52 -0.29 0.00 -2.04 0.00 0.00 64.34 60.44 1ssn n VAL 29 Cb 0.60 -0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 32.23 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 -1.82 0.99 -0.13 3.34 2.01 -0.42 -4.20 115.64 115.39 1ssn s THR 30 Ca 0.46 -1.23 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1ssn s THR 30 Cb -0.04 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1ssn s THR 30 CO 0.29 -0.46 1.24 -0.83 -0.69 0.00 0.00 174.62 174.17 1ssn s GLY 31 N 1.59 1.77 0.26 4.40 0.00 -1.04 -3.22 107.32 111.08 1ssn s GLY 31 Ca 0.05 0.50 0.04 0.00 0.00 0.00 0.00 44.72 45.31 1ssn s GLY 31 CO -0.17 2.42 -0.00 -1.34 0.00 0.00 0.00 173.10 174.00 1ssn s VAL 32 N 3.13 1.21 1.06 1.40 -7.23 -1.08 -2.11 120.40 116.77 1ssn s VAL 32 Ca 0.55 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 1ssn s VAL 32 Cb -0.23 -2.46 0.22 0.00 0.56 0.00 0.00 36.38 34.48 1ssn s VAL 32 CO 0.17 -0.25 1.15 -0.62 -0.31 0.00 0.00 175.10 175.23 1ssn s ASP 33 N -3.37 2.18 0.00 4.85 2.15 -0.27 -1.23 116.67 120.98 1ssn s ASP 33 Ca 0.30 0.74 0.00 0.00 0.43 0.00 0.00 52.55 54.02 1ssn s ASP 33 Cb 0.06 -1.10 0.00 0.00 -0.30 0.00 0.00 42.92 41.58 1ssn s ASP 33 CO 0.11 -3.35 1.10 -1.20 -0.17 0.00 0.00 175.17 171.65 1ssn n SER 34 N -4.26 3.21 0.08 -0.34 7.64 -1.18 -3.48 113.62 115.29 1ssn n SER 34 Ca 0.11 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1ssn n SER 34 Cb 0.59 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.65 0.00 0.00 1.43 4.76 -1.26 -5.09 118.16 118.66 1ssn n LYS 35 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ssn n LYS 35 Cb 0.48 -0.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 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 1.68 -0.49 2.72 0.72 0.00 -1.23 -5.17 105.19 103.41 1ssn n GLY 36 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.96 -0.33 1.61 -0.87 -1.26 -4.89 114.94 110.16 1ssn s ASN 37 Ca 0.00 0.04 -0.27 0.00 -1.57 0.00 0.00 52.86 51.06 1ssn s ASN 37 Cb 0.00 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.25 40.99 1ssn s ASN 37 CO 0.00 -0.21 2.27 -0.70 -2.57 0.00 0.00 177.10 175.90 1ssn s GLU 38 N 1.84 2.72 -0.13 -0.60 2.12 -1.26 -1.12 118.70 122.27 1ssn s GLU 38 Ca 0.01 1.74 -0.10 0.00 0.36 0.00 0.00 54.97 56.98 1ssn s GLU 38 Cb -0.12 -4.45 -0.07 0.00 0.26 0.00 0.00 34.13 29.74 1ssn s GLU 38 CO -0.03 -2.57 0.08 -0.07 -0.54 0.00 0.00 175.26 172.13 1ssn h LEU 39 N 16.83 0.00 -9.32 2.70 3.38 -1.73 -3.48 115.31 123.68 1ssn h LEU 39 Ca -0.34 -0.21 -0.53 0.00 0.09 0.00 0.00 57.88 56.89 1ssn h LEU 39 Cb 1.25 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 1ssn h LEU 39 CO 1.04 0.79 -0.64 -0.76 0.09 0.00 0.00 178.44 178.97 1ssn s LEU 40 N -8.30 2.51 -0.43 1.67 1.43 -0.94 -5.03 118.68 109.58 1ssn s LEU 40 Ca -0.12 -1.29 0.07 0.00 -1.03 0.00 0.00 54.13 51.76 1ssn s LEU 40 Cb 0.01 -0.66 0.22 0.00 0.03 0.00 0.00 46.19 45.80 1ssn s LEU 40 CO 0.25 -0.44 0.57 -1.20 0.23 0.00 0.00 176.35 175.76 1ssn n SER 41 N -0.73 -0.98 -3.29 2.29 7.64 -1.26 -2.51 113.62 114.78 1ssn n SER 41 Ca -0.04 -2.76 -0.38 0.00 1.01 0.00 0.00 58.87 56.70 1ssn n SER 41 Cb 0.65 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.95 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 1.97 4.09 -2.42 1.43 -0.04 -1.26 -4.65 135.00 134.12 1ssn n PRO 42 Ca 0.21 -2.95 -0.35 0.00 -0.04 0.00 0.00 63.50 60.36 1ssn n PRO 42 Cb 0.54 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1ssn n PRO 42 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1ssn n HIS 43 N 2.15 3.20 -0.61 0.54 -0.00 -1.26 -4.47 115.22 114.77 1ssn n HIS 43 Ca 0.65 -2.84 0.07 0.00 0.46 0.00 0.00 57.72 56.05 1ssn n HIS 43 Cb 0.29 -0.84 0.16 0.00 -0.12 0.00 0.00 29.99 29.48 1ssn n HIS 43 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1ssn n TYR 44 N -0.34 0.45 -4.16 1.57 4.11 -1.26 -4.46 117.16 113.06 1ssn n TYR 44 Ca 0.45 -0.73 -0.10 0.00 -0.00 0.00 0.00 57.90 57.52 1ssn n TYR 44 Cb 0.35 -0.15 -0.10 0.00 -0.00 0.00 0.00 39.34 39.44 1ssn n TYR 44 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1ssn s VAL 45 N -2.01 0.15 0.34 -3.48 -7.23 -1.26 -4.33 120.40 102.59 1ssn s VAL 45 Ca 0.27 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1ssn s VAL 45 Cb 0.21 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 35.09 1ssn s VAL 45 CO 0.08 -0.45 0.55 -1.83 -0.31 0.00 0.00 175.10 173.15 1ssn s GLU 46 N -4.04 1.95 0.00 4.82 4.04 -1.26 -4.11 118.70 120.10 1ssn s GLU 46 Ca 0.25 -1.62 0.02 0.00 0.04 0.00 0.00 54.97 53.66 1ssn s GLU 46 Cb 0.07 0.49 -0.01 0.00 0.02 0.00 0.00 34.13 34.71 1ssn s GLU 46 CO 0.02 -0.84 -0.07 0.12 -1.84 0.00 0.00 175.26 172.65 1ssn s PHE 47 N -2.99 0.66 -0.38 4.83 5.36 -0.10 -4.87 117.98 120.49 1ssn s PHE 47 Ca 0.26 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1ssn s PHE 47 Cb -0.02 -0.42 0.18 0.00 -0.34 0.00 0.00 43.02 42.42 1ssn s PHE 47 CO 0.17 -0.02 1.06 -0.35 -1.46 0.00 0.00 175.22 174.63 1ssn n PRO 48 N 2.71 1.54 -0.91 10.12 -0.04 -1.26 -0.72 135.00 146.44 1ssn n PRO 48 Ca -0.14 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1ssn n PRO 48 Cb 0.57 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1ssn n PRO 48 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ssn n ILE 49 N 0.12 -3.43 -3.68 0.52 0.00 -1.26 -4.49 119.36 107.14 1ssn n ILE 49 Ca 0.12 1.35 -0.09 0.00 0.00 0.00 0.00 62.75 64.12 1ssn n ILE 49 Cb 0.67 -1.99 -0.10 0.00 0.00 0.00 0.00 39.64 38.22 1ssn n ILE 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1ssn s LYS 50 N -4.17 0.43 0.72 9.51 0.00 -1.26 -5.03 119.74 119.95 1ssn s LYS 50 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 55.97 56.76 1ssn s LYS 50 Cb 0.00 0.06 0.03 0.00 0.00 0.00 0.00 37.83 37.92 1ssn s LYS 50 CO 0.00 -0.17 1.11 -1.25 0.00 0.00 0.00 175.35 175.04 1ssn s PRO 51 N 1.62 2.70 0.00 1.78 0.04 -1.26 -4.68 135.00 135.20 1ssn s PRO 51 Ca -0.09 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1ssn s PRO 51 Cb -0.08 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1ssn s PRO 51 CO -0.14 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1ssn n GLY 52 N -3.05 0.54 3.36 0.56 0.00 -1.20 -5.01 105.19 100.38 1ssn n GLY 52 Ca 0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.87 -0.00 -1.02 2.61 -1.32 -1.26 -4.95 115.64 106.83 1ssn s THR 53 Ca 0.00 0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 60.26 1ssn s THR 53 Cb 0.00 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1ssn s THR 53 CO 0.00 0.00 1.79 -0.89 -2.21 0.00 0.00 174.62 173.32 1ssn s THR 54 N 0.39 3.65 -0.55 5.08 2.01 -1.26 -2.20 115.64 122.76 1ssn s THR 54 Ca -0.01 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 61.00 1ssn s THR 54 Cb -0.04 -4.50 0.02 0.00 0.01 0.00 0.00 72.50 68.00 1ssn s THR 54 CO -0.01 -1.32 1.31 -0.22 -0.69 0.00 0.00 174.62 173.69 1ssn s LEU 55 N 8.32 3.45 0.31 4.42 1.98 -0.01 -4.67 118.68 132.47 1ssn s LEU 55 Ca 0.62 0.27 0.06 0.00 -2.89 0.00 0.00 54.13 52.18 1ssn s LEU 55 Cb -0.03 -3.16 -0.03 0.00 0.66 0.00 0.00 46.19 43.63 1ssn s LEU 55 CO -0.00 -1.57 0.25 0.42 -1.89 0.00 0.00 176.35 173.56 1ssn s THR 56 N 5.49 0.00 0.16 3.68 -4.23 -1.26 -2.39 115.64 117.08 1ssn s THR 56 Ca 0.49 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1ssn s THR 56 Cb -0.09 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.27 1ssn s THR 56 CO 0.26 0.00 1.60 0.07 -0.54 0.00 0.00 174.62 176.01 1ssn h LYS 57 N 2.22 0.94 -0.25 3.99 5.09 -1.76 -3.24 116.57 123.56 1ssn h LYS 57 Ca -0.27 -0.32 -0.04 0.00 0.09 0.00 0.00 60.65 60.11 1ssn h LYS 57 Cb 1.23 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.48 1ssn h LYS 57 CO 0.39 0.98 -0.01 1.05 -2.09 0.00 0.00 179.45 179.77 1ssn h GLU 58 N 0.81 0.45 -1.07 0.07 4.11 -1.88 -1.10 114.58 115.97 1ssn h GLU 58 Ca 0.14 -0.15 -0.17 0.00 0.07 0.00 0.00 59.36 59.25 1ssn h GLU 58 Cb 0.59 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 1ssn h GLU 58 CO 0.04 0.63 0.21 1.63 0.07 0.00 0.00 179.01 181.59 1ssn n LYS 59 N -4.62 1.41 0.00 1.06 5.02 -1.25 -3.48 118.16 116.30 1ssn n LYS 59 Ca -0.04 -0.95 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 1ssn n LYS 59 Cb 0.25 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1ssn n LYS 59 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ssn n ILE 60 N 0.06 0.00 -0.06 -0.18 2.08 -1.08 -4.67 119.36 115.51 1ssn n ILE 60 Ca 0.19 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.43 1ssn n ILE 60 Cb 0.84 -0.46 -0.01 0.00 -0.75 0.00 0.00 39.64 39.26 1ssn n ILE 60 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1ssn h GLU 61 N 0.00 -0.09 -0.14 0.38 5.08 -1.24 -0.25 114.58 118.33 1ssn h GLU 61 Ca 0.00 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1ssn h GLU 61 Cb 0.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ssn h GLU 61 CO 0.00 -0.06 -0.52 0.10 -1.00 0.00 0.00 179.01 177.53 1ssn h TYR 62 N -0.09 0.48 0.14 4.33 -0.00 -1.85 -3.25 116.97 116.74 1ssn h TYR 62 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 58.73 58.70 1ssn h TYR 62 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 36.94 1ssn h TYR 62 CO -0.31 0.83 -0.07 -0.92 -0.00 0.00 0.00 178.16 177.69 1ssn h TYR 63 N 0.31 -0.18 -0.17 0.10 5.03 -1.57 -2.41 116.97 118.08 1ssn h TYR 63 Ca 0.01 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1ssn h TYR 63 Cb 1.02 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.35 1ssn h TYR 63 CO 0.03 0.07 -0.07 -0.39 -1.32 0.00 0.00 178.16 176.48 1ssn h VAL 64 N -0.42 1.16 -0.54 1.81 -1.51 -1.21 -1.69 116.25 113.83 1ssn h VAL 64 Ca -0.02 -0.66 -0.08 0.00 -1.23 0.00 0.00 66.70 64.71 1ssn h VAL 64 Cb 0.33 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 1ssn h VAL 64 CO 0.03 0.21 0.02 -0.33 -1.23 0.00 0.00 177.57 176.27 1ssn h GLU 65 N 0.25 0.92 -0.04 5.19 4.39 -1.56 -2.34 114.58 121.39 1ssn h GLU 65 Ca 0.05 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1ssn h GLU 65 Cb 0.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1ssn h GLU 65 CO 0.01 0.90 -0.54 -1.49 -1.16 0.00 0.00 179.01 176.73 1ssn h TRP 66 N 0.85 0.13 -0.05 4.33 -0.00 -0.87 -2.26 115.95 118.08 1ssn h TRP 66 Ca 0.16 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1ssn h TRP 66 Cb 0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.61 1ssn h TRP 66 CO 0.03 0.62 -0.00 0.00 -0.00 0.00 0.00 178.44 179.09 1ssn h ALA 67 N 1.37 0.07 0.00 1.49 0.00 -1.04 -3.00 119.26 118.15 1ssn h ALA 67 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ssn h ALA 67 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ssn h ALA 67 CO 0.08 -0.24 0.00 1.47 0.00 0.00 0.00 179.25 180.55 1ssn n LEU 68 N -4.86 0.52 -4.56 0.00 -0.00 -0.90 -4.64 117.00 102.56 1ssn n LEU 68 Ca -0.07 0.58 -0.34 0.00 -0.00 0.00 0.00 56.01 56.19 1ssn n LEU 68 Cb 0.20 -0.46 -0.04 0.00 -0.00 0.00 0.00 43.42 43.12 1ssn n LEU 68 CO 0.34 -0.29 1.43 -0.62 -0.00 0.00 0.00 177.39 178.25 1ssn s ASP 69 N -3.97 5.79 0.04 1.45 2.15 -0.85 -3.52 116.67 117.75 1ssn s ASP 69 Ca 0.08 -1.12 0.00 0.00 0.43 0.00 0.00 52.55 51.95 1ssn s ASP 69 Cb 0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ssn s ASP 69 CO 0.47 -2.16 0.00 0.00 -0.17 0.00 0.00 175.17 173.31 1ssn n ALA 70 N 11.56 0.00 -0.12 3.66 0.00 -1.26 -4.97 120.51 129.38 1ssn n ALA 70 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.58 1ssn n ALA 70 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1ssn n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ssn n THR 71 N -2.40 1.52 -3.84 0.00 -2.24 -1.23 -4.84 114.28 101.24 1ssn n THR 71 Ca 0.00 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 1ssn n THR 71 Cb 0.00 -2.02 -0.12 0.00 -2.10 0.00 0.00 70.33 66.09 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssn s ALA 72 N -2.58 3.26 0.00 6.98 0.00 -1.23 -1.36 121.76 126.82 1ssn s ALA 72 Ca -0.35 -2.89 0.00 0.00 0.00 0.00 0.00 51.96 48.73 1ssn s ALA 72 Cb 0.11 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ssn s ALA 72 CO 0.48 -1.91 0.15 2.48 0.00 0.00 0.00 175.76 176.96 1ssn n TYR 73 N 3.93 0.00 0.00 0.00 4.11 -1.26 -4.47 117.16 119.46 1ssn n TYR 73 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.93 1ssn n TYR 73 Cb 0.39 0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 1ssn n TYR 73 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1ssn n LYS 74 N 0.00 0.00 -0.11 -3.48 4.81 -1.26 -4.74 118.16 113.38 1ssn n LYS 74 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1ssn n LYS 74 Cb 0.37 -0.11 0.03 0.00 0.02 0.00 0.00 35.03 35.34 1ssn n LYS 74 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ssn h GLU 75 N 0.00 0.14 -7.75 1.64 4.81 -1.88 -3.44 114.58 108.09 1ssn h GLU 75 Ca 0.00 -0.01 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 1ssn h GLU 75 Cb 0.00 -0.03 0.16 0.00 0.63 0.00 0.00 28.75 29.51 1ssn h GLU 75 CO 0.00 0.09 0.39 -0.59 -0.73 0.00 0.00 179.01 178.17 1ssn s PHE 76 N -6.17 1.65 -0.28 0.92 -0.71 -1.26 -3.59 117.98 108.53 1ssn s PHE 76 Ca -0.13 0.40 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1ssn s PHE 76 Cb 0.13 -3.97 0.17 0.00 -1.21 0.00 0.00 43.02 38.15 1ssn s PHE 76 CO 0.71 -2.68 0.49 0.50 -1.34 0.00 0.00 175.22 172.90 1ssn s ARG 77 N -5.79 0.47 0.18 1.99 3.52 -1.18 -4.91 118.95 113.23 1ssn s ARG 77 Ca 0.72 0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 56.57 1ssn s ARG 77 Cb -0.05 0.01 -0.10 0.00 -1.56 0.00 0.00 34.95 33.24 1ssn s ARG 77 CO 0.53 -0.83 1.49 0.08 -0.81 0.00 0.00 175.30 175.76 1ssn s VAL 78 N 2.69 2.77 -0.13 7.11 1.01 -1.26 -1.59 120.40 131.00 1ssn s VAL 78 Ca 0.14 0.58 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 1ssn s VAL 78 Cb -0.13 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1ssn s VAL 78 CO -0.23 0.06 -0.14 0.58 0.00 0.00 0.00 175.10 175.37 1ssn h VAL 79 N 3.92 0.00 -3.79 2.92 2.07 -1.57 -3.47 116.25 116.33 1ssn h VAL 79 Ca -0.43 -0.93 -0.32 0.00 0.82 0.00 0.00 66.70 65.83 1ssn h VAL 79 Cb 1.21 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.79 1ssn h VAL 79 CO 0.86 0.00 -0.74 -1.61 0.02 0.00 0.00 177.57 176.11 1ssn s GLU 80 N -2.06 0.80 -0.24 1.57 8.01 -1.24 -5.06 118.70 120.49 1ssn s GLU 80 Ca -0.12 -1.09 -0.11 0.00 0.01 0.00 0.00 54.97 53.66 1ssn s GLU 80 Cb 0.02 -0.51 -0.05 0.00 -4.31 0.00 0.00 34.13 29.27 1ssn s GLU 80 CO 0.17 0.08 0.17 -0.51 0.01 0.00 0.00 175.26 175.19 1ssn s LEU 81 N -2.28 4.12 0.02 1.80 1.43 -1.26 -2.10 118.68 120.39 1ssn s LEU 81 Ca 0.03 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1ssn s LEU 81 Cb -0.04 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1ssn s LEU 81 CO 0.00 0.06 1.25 -1.81 0.23 0.00 0.00 176.35 176.07 1ssn s ASP 82 N 1.07 7.01 0.47 2.29 1.01 -1.23 -4.92 116.67 122.37 1ssn s ASP 82 Ca 0.08 1.99 0.26 0.00 0.71 0.00 0.00 52.55 55.60 1ssn s ASP 82 Cb -0.14 -2.57 0.87 0.00 1.01 0.00 0.00 42.92 42.10 1ssn s ASP 82 CO 0.05 -0.56 1.80 1.55 0.21 0.00 0.00 175.17 178.22 1ssn h PRO 83 N 7.19 0.00 -3.39 8.23 0.13 -1.95 -3.37 132.00 138.84 1ssn h PRO 83 Ca -0.39 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.02 1ssn h PRO 83 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1ssn h PRO 83 CO 0.85 0.12 2.74 0.43 -0.23 0.00 0.00 178.00 181.91 1ssn n SER 84 N -3.20 5.92 -4.75 1.44 7.64 -1.26 -4.71 113.62 114.69 1ssn n SER 84 Ca 0.01 -2.94 -0.30 0.00 1.01 0.00 0.00 58.87 56.65 1ssn n SER 84 Cb 0.44 -1.52 0.12 0.00 -1.01 0.00 0.00 64.21 62.24 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 1.22 1.78 -0.09 -0.43 0.00 -1.26 -4.89 121.76 118.10 1ssn s ALA 85 Ca 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1ssn s ALA 85 Cb 0.14 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 20.16 1ssn s ALA 85 CO -0.05 -2.15 0.03 -1.59 0.00 0.00 0.00 175.76 171.99 1ssn s LYS 86 N -5.06 0.41 -0.93 0.00 -2.85 -1.26 -3.12 119.74 106.92 1ssn s LYS 86 Ca 0.63 0.09 -0.20 0.00 -1.00 0.00 0.00 55.97 55.48 1ssn s LYS 86 Cb -0.16 -1.08 0.11 0.00 -2.06 0.00 0.00 37.83 34.63 1ssn s LYS 86 CO 0.56 -0.38 1.20 0.42 0.10 0.00 0.00 175.35 177.24 1ssn s ILE 87 N 2.02 4.49 -1.26 3.79 -1.09 0.34 -3.85 121.20 125.64 1ssn s ILE 87 Ca 0.04 -1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.08 1ssn s ILE 87 Cb -0.13 -4.84 0.17 0.00 -1.58 0.00 0.00 42.46 36.07 1ssn s ILE 87 CO -0.05 -1.62 1.76 -0.62 -1.23 0.00 0.00 174.94 173.18 1ssn n GLU 88 N 7.24 3.55 -2.29 2.79 1.02 -1.08 -2.84 120.64 129.03 1ssn n GLU 88 Ca 0.24 -3.61 -0.36 0.00 -0.02 0.00 0.00 57.16 53.41 1ssn n GLU 88 Cb 0.49 -2.96 -0.04 0.00 -0.02 0.00 0.00 31.44 28.92 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 0.74 3.61 -0.50 2.62 0.11 -1.10 -2.73 120.40 123.14 1ssn s VAL 89 Ca 0.41 -0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 1ssn s VAL 89 Cb 0.06 -4.46 0.03 0.00 -1.53 0.00 0.00 36.38 30.48 1ssn s VAL 89 CO 0.00 -1.40 1.17 -0.89 -3.33 0.00 0.00 175.10 170.66 1ssn s THR 90 N 7.57 4.13 -1.34 5.04 2.01 -0.49 -2.52 115.64 130.04 1ssn s THR 90 Ca 0.55 1.12 -0.15 0.00 0.31 0.00 0.00 61.69 63.52 1ssn s THR 90 Cb -0.07 -4.62 0.01 0.00 0.01 0.00 0.00 72.50 67.83 1ssn s THR 90 CO 0.05 -1.10 2.16 -1.22 -0.69 0.00 0.00 174.62 173.83 1ssn n TYR 91 N 8.08 3.30 -2.24 4.92 4.01 -0.98 -0.63 117.16 133.62 1ssn n TYR 91 Ca 0.11 -2.78 -0.42 0.00 -0.16 0.00 0.00 57.90 54.65 1ssn n TYR 91 Cb 0.49 -2.42 -0.03 0.00 -0.31 0.00 0.00 39.34 37.07 1ssn n TYR 91 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ssn s TYR 92 N 3.57 2.79 0.17 -0.72 5.04 -1.26 -3.93 117.35 123.01 1ssn s TYR 92 Ca 0.49 0.80 -0.15 0.00 -2.44 0.00 0.00 57.07 55.77 1ssn s TYR 92 Cb 0.14 -3.66 0.02 0.00 0.35 0.00 0.00 41.96 38.81 1ssn s TYR 92 CO -0.05 -2.44 0.44 0.34 -1.34 0.00 0.00 175.55 172.50 1ssn s ASP 93 N 2.00 -0.17 -0.41 4.32 2.15 -1.26 -4.46 116.67 118.83 1ssn s ASP 93 Ca 0.63 -0.55 0.09 0.00 0.43 0.00 0.00 52.55 53.15 1ssn s ASP 93 Cb -0.30 0.52 0.32 0.00 -0.30 0.00 0.00 42.92 43.16 1ssn s ASP 93 CO 0.25 -0.98 0.86 1.17 -0.17 0.00 0.00 175.17 176.31 1ssn n LYS 94 N -0.29 0.95 0.09 4.34 3.00 -1.26 -3.77 118.16 121.22 1ssn n LYS 94 Ca -0.10 -2.72 0.00 0.00 -0.00 0.00 0.00 58.31 55.49 1ssn n LYS 94 Cb 0.63 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.26 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 0.53 -0.99 0.00 3.14 3.02 -1.26 -4.94 115.26 114.77 1ssn n ASN 95 Ca 0.17 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1ssn n ASN 95 Cb 0.66 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.93 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 -2.94 0.00 -0.03 3.52 0.00 -1.26 -4.98 118.16 112.47 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 -0.17 -0.10 0.00 -0.00 0.00 0.00 35.03 34.76 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 0.28 -1.61 -1.58 1.63 -1.92 -3.50 116.57 109.87 1ssn h LYS 97 Ca 0.00 -0.23 0.17 0.00 -0.85 0.00 0.00 60.65 59.74 1ssn h LYS 97 Cb 0.00 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.60 1ssn h LYS 97 CO 0.00 0.88 -0.54 1.17 -3.45 0.00 0.00 179.45 177.51 1ssn n LYS 98 N -4.48 -1.52 -1.66 1.90 4.81 -1.26 -4.79 118.16 111.16 1ssn n LYS 98 Ca -0.09 1.21 -0.56 0.00 -0.87 0.00 0.00 58.31 58.01 1ssn n LYS 98 Cb 0.48 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.68 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 -3.18 1.11 -3.25 1.64 2.13 -1.25 -4.24 120.64 113.61 1ssn n GLU 99 Ca -0.04 0.40 -0.15 0.00 0.66 0.00 0.00 57.16 58.04 1ssn n GLU 99 Cb 0.32 -2.07 -0.06 0.00 0.27 0.00 0.00 31.44 29.90 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 2.30 0.78 -0.77 5.31 2.12 -1.25 -4.97 118.70 122.22 1ssn s GLU 100 Ca 0.93 -1.10 -0.25 0.00 0.36 0.00 0.00 54.97 54.90 1ssn s GLU 100 Cb -1.04 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 1ssn s GLU 100 CO 0.59 -1.26 1.93 0.99 -0.54 0.00 0.00 175.26 176.97 1ssn s THR 101 N 1.09 3.39 -0.79 -1.70 2.01 -1.26 -2.32 115.64 116.06 1ssn s THR 101 Ca 0.22 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 1ssn s THR 101 Cb -0.08 -3.94 0.10 0.00 0.01 0.00 0.00 72.50 68.59 1ssn s THR 101 CO -0.06 -0.90 1.03 -0.75 -0.69 0.00 0.00 174.62 173.25 1ssn s LYS 102 N 7.09 3.34 0.15 4.92 2.36 -1.05 -4.94 119.74 131.61 1ssn s LYS 102 Ca 0.70 -1.30 -0.30 0.00 -2.55 0.00 0.00 55.97 52.51 1ssn s LYS 102 Cb -0.09 -4.58 -0.08 0.00 -1.05 0.00 0.00 37.83 32.03 1ssn s LYS 102 CO 0.09 -1.79 1.22 -1.54 1.55 0.00 0.00 175.35 174.88 1ssn s SER 103 N 3.69 7.05 -0.15 1.43 1.04 -1.26 -2.70 113.70 122.80 1ssn s SER 103 Ca 0.27 2.20 -0.13 0.00 0.48 0.00 0.00 55.95 58.77 1ssn s SER 103 Cb -0.11 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.45 1ssn s SER 103 CO 0.00 -0.43 0.40 0.12 0.98 0.00 0.00 173.24 174.31 1ssn s PHE 104 N 0.30 -0.45 0.00 5.02 5.36 -1.13 -5.00 117.98 122.08 1ssn s PHE 104 Ca 0.55 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1ssn s PHE 104 Cb -0.33 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1ssn s PHE 104 CO 0.35 -0.22 0.00 -0.35 -1.46 0.00 0.00 175.22 173.53 1ssn n PRO 105 N 3.00 3.63 -3.49 10.12 -0.04 -1.26 -0.50 135.00 146.45 1ssn n PRO 105 Ca -0.14 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1ssn n PRO 105 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.01 0.25 0.52 1.10 -1.18 -3.88 121.20 118.03 1ssn s ILE 106 Ca 0.00 -0.09 0.04 0.00 -0.51 0.00 0.00 60.65 60.08 1ssn s ILE 106 Cb 0.00 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.55 1ssn s ILE 106 CO 0.00 -0.05 0.01 0.42 -2.11 0.00 0.00 174.94 173.21 1ssn s THR 107 N -2.84 1.09 0.09 4.00 -4.23 -1.26 -4.89 115.64 107.60 1ssn s THR 107 Ca -0.03 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.20 1ssn s THR 107 Cb -0.01 -2.46 -0.15 0.00 1.34 0.00 0.00 72.50 71.23 1ssn s THR 107 CO -0.05 -0.24 1.72 -0.08 -0.54 0.00 0.00 174.62 175.43 1ssn h GLU 108 N 2.38 -0.16 0.10 3.99 4.57 -1.96 -3.04 114.58 120.45 1ssn h GLU 108 Ca -0.39 0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 57.54 1ssn h GLU 108 Cb 1.23 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1ssn h GLU 108 CO 0.65 -0.11 -1.20 0.87 -1.18 0.00 0.00 179.01 178.04 1ssn h LYS 109 N -0.17 0.21 0.00 1.92 1.57 -1.98 -3.40 116.57 114.72 1ssn h LYS 109 Ca -0.01 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1ssn h LYS 109 Cb 0.14 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ssn h LYS 109 CO 0.01 1.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 1ssn n GLY 110 N 1.50 3.67 3.56 3.86 0.00 -1.15 -4.83 105.19 111.80 1ssn n GLY 110 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.49 0.07 1.61 -0.71 -1.01 -4.99 117.98 112.47 1ssn s PHE 111 Ca 0.00 0.87 -0.30 0.00 -1.04 0.00 0.00 56.93 56.46 1ssn s PHE 111 Cb 0.00 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1ssn s PHE 111 CO 0.00 -0.43 1.03 0.08 -1.34 0.00 0.00 175.22 174.56 1ssn s VAL 112 N -1.01 4.48 -0.26 -2.49 1.01 -1.26 -0.83 120.40 120.03 1ssn s VAL 112 Ca -0.05 1.91 -0.34 0.00 0.00 0.00 0.00 61.98 63.50 1ssn s VAL 112 Cb -0.01 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1ssn s VAL 112 CO 0.04 0.22 2.08 0.52 0.00 0.00 0.00 175.10 177.96 1ssn n VAL 113 N 3.33 0.31 -1.74 2.92 0.31 -0.93 -4.91 118.33 117.62 1ssn n VAL 113 Ca 0.05 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1ssn n VAL 113 Cb 0.49 -1.79 0.08 0.00 -0.91 0.00 0.00 33.84 31.70 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 7.66 -0.26 -1.96 5.55 -0.04 -1.26 -3.27 135.00 141.43 1ssn n PRO 114 Ca 0.34 -0.98 -0.39 0.00 -0.04 0.00 0.00 63.50 62.42 1ssn n PRO 114 Cb 0.27 -0.48 0.01 0.00 -0.04 0.00 0.00 33.50 33.25 1ssn n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ssn s ASP 115 N -2.97 6.03 -1.17 3.54 1.01 -1.26 -4.90 116.67 116.95 1ssn s ASP 115 Ca 0.31 2.73 -0.03 0.00 0.71 0.00 0.00 52.55 56.26 1ssn s ASP 115 Cb -0.01 -2.64 0.23 0.00 1.01 0.00 0.00 42.92 41.51 1ssn s ASP 115 CO 0.21 -1.05 2.04 0.00 0.21 0.00 0.00 175.17 176.58 1ssn n LEU 116 N -0.16 7.56 0.00 1.23 -0.00 -1.26 -5.00 117.00 119.36 1ssn n LEU 116 Ca 0.05 -5.14 0.00 0.00 -0.00 0.00 0.00 56.01 50.93 1ssn n LEU 116 Cb 0.43 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1ssn n LEU 116 CO 0.56 2.00 0.00 -0.24 -0.00 0.00 0.00 177.39 179.71 1ssn n SER 117 N 0.96 0.00 0.00 1.45 2.88 -1.26 -4.50 113.62 113.16 1ssn n SER 117 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1ssn n SER 117 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 14.00 0.00 0.00 -1.46 2.13 -1.26 -4.93 120.64 129.12 1ssn n GLU 118 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1ssn n GLU 118 Cb 0.00 -0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.86 1ssn n GLU 118 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1ssn n HIS 119 N -2.35 0.00 -3.85 4.31 1.44 -1.26 -4.69 115.22 108.82 1ssn n HIS 119 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1ssn n HIS 119 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 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 -2.00 0.01 0.00 0.61 2.07 -1.26 -4.94 121.20 115.69 1ssn s ILE 120 Ca 0.08 -0.10 0.23 0.00 -1.41 0.00 0.00 60.65 59.44 1ssn s ILE 120 Cb 0.03 -0.16 0.38 0.00 0.13 0.00 0.00 42.46 42.85 1ssn s ILE 120 CO 0.06 -0.06 1.15 2.29 -1.91 0.00 0.00 174.94 176.47 1ssn n LYS 121 N 2.84 0.00 -2.92 3.50 -0.00 -1.26 -4.79 118.16 115.53 1ssn n LYS 121 Ca -0.14 -1.89 -0.13 0.00 -0.00 0.00 0.00 58.31 56.15 1ssn n LYS 121 Cb 0.59 -0.04 0.04 0.00 -0.00 0.00 0.00 35.03 35.62 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1ssn n ASN 122 N 0.45 -1.10 -2.73 -5.58 2.04 -1.26 -4.18 115.26 102.90 1ssn n ASN 122 Ca 0.05 -3.40 0.00 0.00 -0.44 0.00 0.00 54.58 50.78 1ssn n ASN 122 Cb 1.10 0.90 0.00 0.00 -2.53 0.00 0.00 39.78 39.25 1ssn n ASN 122 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1ssn n PRO 123 N 0.40 -0.25 -3.00 -0.53 -0.02 -1.26 -4.02 135.00 126.31 1ssn n PRO 123 Ca 0.14 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.48 1ssn n PRO 123 Cb 0.68 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.13 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 2.94 0.64 3.39 -1.23 0.00 0.19 -3.06 105.19 108.06 1ssn n GLY 124 Ca 0.00 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1ssn n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ssn n PHE 125 N 2.68 2.94 -2.80 1.61 3.01 -0.97 -1.40 117.46 122.53 1ssn n PHE 125 Ca 0.21 -1.93 -0.43 0.00 1.01 0.00 0.00 57.45 56.31 1ssn n PHE 125 Cb 0.54 -2.38 -0.04 0.00 -0.01 0.00 0.00 39.48 37.59 1ssn n PHE 125 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1ssn s ASN 126 N 5.40 6.24 -1.24 4.37 0.01 -1.11 -3.43 114.94 125.19 1ssn s ASN 126 Ca 0.61 -0.64 -0.18 0.00 -0.71 0.00 0.00 52.86 51.94 1ssn s ASN 126 Cb 0.05 -2.45 0.08 0.00 0.41 0.00 0.00 41.25 39.35 1ssn s ASN 126 CO 0.10 -1.41 1.65 -0.76 -1.51 0.00 0.00 177.10 175.17 1ssn s LEU 127 N 4.25 3.98 -1.17 0.60 2.01 -0.69 -2.65 118.68 125.01 1ssn s LEU 127 Ca 0.28 -2.38 -0.09 0.00 0.01 0.00 0.00 54.13 51.95 1ssn s LEU 127 Cb -0.14 -2.55 0.23 0.00 0.01 0.00 0.00 46.19 43.74 1ssn s LEU 127 CO 0.15 -1.16 1.43 -0.38 1.01 0.00 0.00 176.35 177.40 1ssn n ILE 128 N 6.21 4.59 -1.56 -0.59 5.41 -1.25 -3.03 119.36 129.15 1ssn n ILE 128 Ca 0.45 -5.12 -0.29 0.00 1.00 0.00 0.00 62.75 58.79 1ssn n ILE 128 Cb 0.46 -2.41 0.16 0.00 -0.71 0.00 0.00 39.64 37.14 1ssn n ILE 128 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ssn s THR 129 N -0.42 1.94 -0.03 1.39 2.01 -0.92 -4.55 115.64 115.05 1ssn s THR 129 Ca 0.36 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 1ssn s THR 129 Cb -0.01 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1ssn s THR 129 CO -0.00 0.00 0.08 -0.75 -0.69 0.00 0.00 174.62 173.26 1ssn s LYS 130 N -5.43 0.09 0.04 4.92 2.36 -1.26 -1.31 119.74 119.16 1ssn s LYS 130 Ca 0.67 0.14 0.02 0.00 -2.55 0.00 0.00 55.97 54.24 1ssn s LYS 130 Cb -0.12 0.02 -0.02 0.00 -1.05 0.00 0.00 37.83 36.65 1ssn s LYS 130 CO 0.53 -0.03 -0.07 0.14 1.55 0.00 0.00 175.35 177.48 1ssn s VAL 131 N 0.18 0.45 -0.10 4.02 -7.23 -1.20 -3.50 120.40 113.02 1ssn s VAL 131 Ca -0.01 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 1ssn s VAL 131 Cb -0.02 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 1ssn s VAL 131 CO -0.01 -0.45 0.41 -0.69 -0.31 0.00 0.00 175.10 174.06 1ssn s VAL 132 N -1.57 5.18 0.05 1.32 1.01 -0.89 -2.64 120.40 122.86 1ssn s VAL 132 Ca -0.10 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1ssn s VAL 132 Cb -0.09 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ssn s VAL 132 CO -0.00 0.41 -0.09 -0.63 0.00 0.00 0.00 175.10 174.79 1ssn s ILE 133 N 0.10 0.70 -0.23 2.22 1.01 -0.36 -1.39 121.20 123.24 1ssn s ILE 133 Ca 0.23 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1ssn s ILE 133 Cb -0.15 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.59 1ssn s ILE 133 CO 0.09 -0.37 -0.13 -1.61 0.00 0.00 0.00 174.94 172.93 1ssn s GLU 134 N -1.73 2.41 0.95 2.79 0.41 -0.62 -3.13 118.70 119.78 1ssn s GLU 134 Ca -0.07 -1.14 -0.12 0.00 -0.41 0.00 0.00 54.97 53.24 1ssn s GLU 134 Cb -0.09 -2.74 0.16 0.00 -1.78 0.00 0.00 34.13 29.68 1ssn s GLU 134 CO 0.01 -0.45 1.09 -1.59 -0.49 0.00 0.00 175.26 173.82 1ssn s LYS 135 N 1.19 0.84 0.00 1.61 0.00 -1.26 -3.12 119.74 119.00 1ssn s LYS 135 Ca -0.04 0.81 0.00 0.00 0.00 0.00 0.00 55.97 56.74 1ssn s LYS 135 Cb -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 35.89 1ssn s LYS 135 CO -0.08 -2.53 0.13 1.63 0.00 0.00 0.00 175.35 174.50