#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 -2.76 -1.04 6.43 2.88 -1.25 -4.67 113.62 113.20 1ssn n SER 2 Ca 0.00 -0.57 0.12 0.00 -1.33 0.00 0.00 58.87 57.10 1ssn n SER 2 Cb 0.00 -4.82 -0.07 0.00 -0.75 0.00 0.00 64.21 58.57 1ssn n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ssn n SER 3 N -2.95 -5.63 -3.24 -3.46 2.88 -1.26 -4.91 113.62 95.05 1ssn n SER 3 Ca -0.22 1.06 -0.10 0.00 -1.33 0.00 0.00 58.87 58.28 1ssn n SER 3 Cb 0.64 -3.58 0.03 0.00 -0.75 0.00 0.00 64.21 60.55 1ssn n SER 3 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1ssn n PHE 4 N -3.67 -2.63 -1.87 0.66 7.35 -1.26 -4.95 117.46 111.09 1ssn n PHE 4 Ca -0.07 0.95 -0.29 0.00 -0.76 0.00 0.00 57.45 57.28 1ssn n PHE 4 Cb 0.49 -3.97 0.04 0.00 0.35 0.00 0.00 39.48 36.39 1ssn n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ssn n ASP 5 N -2.44 5.92 0.00 -2.13 2.03 -1.26 -4.54 116.55 114.13 1ssn n ASP 5 Ca -0.05 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.49 1ssn n ASP 5 Cb 0.56 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1ssn n ASP 5 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ssn n LYS 6 N -0.73 0.00 -0.87 -0.67 4.76 -1.26 -4.82 118.16 114.57 1ssn n LYS 6 Ca 0.50 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1ssn n LYS 6 Cb 0.78 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 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 1.85 0.74 3.16 0.72 0.00 -1.26 -4.69 105.19 105.71 1ssn n GLY 7 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1ssn n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ssn n LYS 8 N -0.68 -1.42 -0.01 1.61 4.81 -1.26 -4.94 118.16 116.27 1ssn n LYS 8 Ca 0.00 1.43 0.14 0.00 -0.87 0.00 0.00 58.31 59.01 1ssn n LYS 8 Cb 0.26 -5.23 0.49 0.00 0.02 0.00 0.00 35.03 30.57 1ssn n LYS 8 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ssn n TYR 9 N -1.79 0.02 -1.26 5.64 9.36 -1.22 -4.95 117.16 122.96 1ssn n TYR 9 Ca -0.04 -0.01 -0.17 0.00 3.32 0.00 0.00 57.90 61.00 1ssn n TYR 9 Cb 0.53 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.36 1ssn n TYR 9 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1ssn n LYS 10 N 0.26 -1.29 0.00 2.98 -0.00 -0.09 -4.54 118.16 115.48 1ssn n LYS 10 Ca 0.18 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.39 1ssn n LYS 10 Cb 0.37 -0.84 0.00 0.00 -0.00 0.00 0.00 35.03 34.56 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ssn n LYS 11 N -2.90 0.00 0.09 -1.58 4.81 -1.26 -4.93 118.16 112.39 1ssn n LYS 11 Ca 0.09 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.58 1ssn n LYS 11 Cb 0.33 -0.23 0.46 0.00 0.02 0.00 0.00 35.03 35.62 1ssn n LYS 11 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ssn h GLY 12 N 0.00 0.36 -4.86 3.14 0.00 -1.91 -3.04 103.07 96.75 1ssn h GLY 12 Ca 0.00 -0.15 -0.55 0.00 0.00 0.00 0.00 47.33 46.62 1ssn h GLY 12 CO 0.00 0.15 1.92 1.34 0.00 0.00 0.00 176.54 179.95 1ssn n ASP 13 N -4.43 7.39 -4.02 0.19 2.03 -1.26 -4.68 116.55 111.77 1ssn n ASP 13 Ca 0.01 -2.81 -0.30 0.00 0.52 0.00 0.00 54.79 52.21 1ssn n ASP 13 Cb 0.12 -1.42 -0.01 0.00 -0.72 0.00 0.00 41.12 39.09 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ssn n ASP 14 N 2.38 -2.12 -2.71 1.67 8.00 -1.25 -4.55 116.55 117.97 1ssn n ASP 14 Ca 0.61 -0.96 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 1ssn n ASP 14 Cb 0.45 -3.16 -0.00 0.00 -0.02 0.00 0.00 41.12 38.38 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 -4.44 5.21 -1.37 2.24 0.00 -1.15 -2.54 120.51 118.46 1ssn n ALA 15 Ca -0.12 -4.42 0.00 0.00 0.00 0.00 0.00 53.44 48.90 1ssn n ALA 15 Cb 0.59 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1ssn n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ssn n SER 16 N -0.41 0.00 -3.59 0.00 7.64 -1.26 -4.74 113.62 111.27 1ssn n SER 16 Ca 0.39 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.14 1ssn n SER 16 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1ssn n SER 16 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ssn s TYR 17 N 1.21 -0.60 0.13 1.43 6.14 -1.26 -5.05 117.35 119.35 1ssn s TYR 17 Ca 0.00 1.26 0.00 0.00 0.64 0.00 0.00 57.07 58.97 1ssn s TYR 17 Cb 0.00 0.37 0.00 0.00 0.42 0.00 0.00 41.96 42.75 1ssn s TYR 17 CO 0.00 -0.41 0.00 0.34 0.64 0.00 0.00 175.55 176.12 1ssn n PHE 18 N 1.65 -3.43 -0.91 4.97 7.35 -1.26 -5.00 117.46 120.82 1ssn n PHE 18 Ca -0.14 2.06 0.02 0.00 -0.76 0.00 0.00 57.45 58.63 1ssn n PHE 18 Cb 0.56 -3.18 -0.01 0.00 0.35 0.00 0.00 39.48 37.20 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 1.31 -2.35 -2.19 -4.13 1.02 -1.01 -4.69 120.64 108.59 1ssn n GLU 19 Ca 0.00 1.84 -0.33 0.00 -0.02 0.00 0.00 57.16 58.65 1ssn n GLU 19 Cb 0.00 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.02 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 -4.65 2.84 0.03 3.49 0.04 -1.09 -4.72 135.00 130.95 1ssn s PRO 20 Ca 0.00 -0.34 -0.18 0.00 0.04 0.00 0.00 61.00 60.52 1ssn s PRO 20 Cb 0.00 -4.98 -0.22 0.00 0.04 0.00 0.00 34.50 29.34 1ssn s PRO 20 CO 0.00 -2.94 1.15 1.79 0.04 0.00 0.00 177.00 177.03 1ssn h THR 21 N 7.03 1.38 0.00 1.26 1.35 -1.83 -3.49 112.91 118.60 1ssn h THR 21 Ca 0.05 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 1ssn h THR 21 Cb 1.03 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1ssn h THR 21 CO 1.27 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 177.77 1ssn n GLY 22 N 1.01 1.69 3.89 5.82 0.00 -1.05 -4.94 105.19 111.61 1ssn n GLY 22 Ca -0.10 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1ssn n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ssn s PRO 23 N -2.00 2.21 0.28 1.61 0.04 -1.26 -4.54 135.00 131.34 1ssn s PRO 23 Ca 0.00 0.21 -0.19 0.00 0.04 0.00 0.00 61.00 61.06 1ssn s PRO 23 Cb 0.00 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1ssn s PRO 23 CO 0.00 -1.45 0.88 1.52 0.04 0.00 0.00 177.00 177.99 1ssn s TYR 24 N -3.51 0.03 -0.35 0.56 1.13 -1.09 -4.72 117.35 109.40 1ssn s TYR 24 Ca 0.61 -0.56 0.06 0.00 -1.41 0.00 0.00 57.07 55.77 1ssn s TYR 24 Cb -0.11 0.76 0.18 0.00 -1.10 0.00 0.00 41.96 41.68 1ssn s TYR 24 CO 0.50 -1.24 0.54 -1.17 -2.51 0.00 0.00 175.55 171.66 1ssn s LEU 25 N -3.14 -1.18 0.14 -3.49 0.20 -0.54 -1.75 118.68 108.92 1ssn s LEU 25 Ca 0.16 -0.62 -0.17 0.00 0.69 0.00 0.00 54.13 54.19 1ssn s LEU 25 Cb -0.04 1.59 -0.07 0.00 -0.43 0.00 0.00 46.19 47.24 1ssn s LEU 25 CO 0.08 -0.25 0.59 -0.04 -0.29 0.00 0.00 176.35 176.44 1ssn s MET 26 N 2.13 4.10 -0.35 1.98 -1.94 -1.18 -1.21 119.30 122.82 1ssn s MET 26 Ca 0.14 0.64 0.01 0.00 -1.71 0.00 0.00 55.69 54.77 1ssn s MET 26 Cb -0.09 -3.02 0.15 0.00 2.01 0.00 0.00 34.83 33.88 1ssn s MET 26 CO -0.15 0.51 0.30 0.08 -0.01 0.00 0.00 175.02 175.75 1ssn s VAL 27 N -1.36 -0.16 0.16 -6.03 1.01 -1.25 -0.98 120.40 111.78 1ssn s VAL 27 Ca 0.36 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1ssn s VAL 27 Cb -0.17 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1ssn s VAL 27 CO 0.19 -0.73 0.42 0.20 0.00 0.00 0.00 175.10 175.19 1ssn s ASN 28 N 1.40 -0.19 0.21 3.32 0.02 -1.19 -4.63 114.94 113.87 1ssn s ASN 28 Ca 0.16 -0.47 -0.02 0.00 -1.02 0.00 0.00 52.86 51.52 1ssn s ASN 28 Cb -0.18 0.50 -0.05 0.00 0.02 0.00 0.00 41.25 41.55 1ssn s ASN 28 CO -0.06 -0.93 0.42 0.68 0.02 0.00 0.00 177.10 177.23 1ssn s VAL 29 N -3.85 5.17 -0.83 1.60 -7.23 -1.26 -3.60 120.40 110.39 1ssn s VAL 29 Ca 0.07 -0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 59.80 1ssn s VAL 29 Cb 0.01 -3.72 0.11 0.00 0.56 0.00 0.00 36.38 33.34 1ssn s VAL 29 CO -0.07 -0.17 1.06 -0.89 -0.31 0.00 0.00 175.10 174.73 1ssn s THR 30 N -1.88 4.56 -0.46 5.32 2.01 0.27 -3.80 115.64 121.67 1ssn s THR 30 Ca 0.40 -1.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.01 1ssn s THR 30 Cb -0.11 -4.75 -0.02 0.00 0.01 0.00 0.00 72.50 67.64 1ssn s THR 30 CO 0.29 -1.49 1.77 -0.83 -0.69 0.00 0.00 174.62 173.66 1ssn s GLY 31 N 3.70 0.59 0.41 4.40 0.00 -1.21 -3.10 107.32 112.12 1ssn s GLY 31 Ca 0.29 -0.18 0.08 0.00 0.00 0.00 0.00 44.72 44.90 1ssn s GLY 31 CO -0.02 3.26 0.32 -1.34 0.00 0.00 0.00 173.10 175.32 1ssn s VAL 32 N 7.58 2.63 0.84 1.40 -7.23 -0.94 -1.02 120.40 123.66 1ssn s VAL 32 Ca 0.72 -1.43 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 1ssn s VAL 32 Cb -0.17 -3.01 0.18 0.00 0.56 0.00 0.00 36.38 33.94 1ssn s VAL 32 CO 0.28 -0.01 1.14 0.47 -0.31 0.00 0.00 175.10 176.67 1ssn n ASP 33 N -1.46 0.84 -0.29 4.85 8.00 -0.89 -1.66 116.55 125.94 1ssn n ASP 33 Ca 0.02 -1.87 -0.01 0.00 0.71 0.00 0.00 54.79 53.64 1ssn n ASP 33 Cb 0.62 -0.80 0.17 0.00 -0.02 0.00 0.00 41.12 41.08 1ssn n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ssn h SER 34 N -1.08 1.01 0.08 -2.24 0.87 -1.92 -2.02 113.55 108.25 1ssn h SER 34 Ca -0.37 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1ssn h SER 34 Cb 1.21 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1ssn h SER 34 CO 0.34 0.76 0.00 0.29 -0.53 0.00 0.00 176.83 177.69 1ssn n LYS 35 N -4.38 0.76 -2.15 2.24 4.76 -1.26 -4.90 118.16 113.23 1ssn n LYS 35 Ca 0.10 0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1ssn n LYS 35 Cb 0.05 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.75 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 0.71 0.36 3.05 0.72 0.00 -0.76 -5.05 105.19 104.22 1ssn n GLY 36 Ca 0.19 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.20 4.46 -0.08 1.61 0.01 -1.26 -4.86 114.94 111.62 1ssn s ASN 37 Ca 0.02 -1.51 -0.29 0.00 -0.71 0.00 0.00 52.86 50.36 1ssn s ASN 37 Cb -0.00 -1.53 -0.05 0.00 0.41 0.00 0.00 41.25 40.07 1ssn s ASN 37 CO 0.12 -0.22 1.73 -0.70 -1.51 0.00 0.00 177.10 176.53 1ssn s GLU 38 N 1.09 4.02 0.03 -0.60 2.12 -1.26 -2.09 118.70 122.01 1ssn s GLU 38 Ca -0.05 2.14 -0.16 0.00 0.36 0.00 0.00 54.97 57.25 1ssn s GLU 38 Cb -0.20 -4.05 -0.34 0.00 0.26 0.00 0.00 34.13 29.80 1ssn s GLU 38 CO -0.06 -1.04 1.03 -0.07 -0.54 0.00 0.00 175.26 174.58 1ssn h LEU 39 N 10.92 0.85 -7.44 2.70 4.07 -1.42 -3.49 115.31 121.50 1ssn h LEU 39 Ca -0.40 -0.89 -0.09 0.00 0.08 0.00 0.00 57.88 56.58 1ssn h LEU 39 Cb 1.19 -0.27 -0.17 0.00 1.08 0.00 0.00 40.66 42.48 1ssn h LEU 39 CO 0.96 1.67 -0.16 -1.48 -1.08 0.00 0.00 178.44 178.35 1ssn s LEU 40 N -7.70 0.58 0.35 1.67 0.05 -1.19 -5.06 118.68 107.40 1ssn s LEU 40 Ca -0.09 -0.05 -0.09 0.00 0.05 0.00 0.00 54.13 53.95 1ssn s LEU 40 Cb 0.04 1.58 -0.06 0.00 -2.05 0.00 0.00 46.19 45.71 1ssn s LEU 40 CO 0.94 -0.63 0.68 -0.44 -0.55 0.00 0.00 176.35 176.35 1ssn s SER 41 N -1.97 6.51 -0.26 1.48 0.01 -1.26 -3.29 113.70 114.92 1ssn s SER 41 Ca -0.06 0.98 -0.05 0.00 1.31 0.00 0.00 55.95 58.14 1ssn s SER 41 Cb -0.01 -2.26 -0.08 0.00 0.21 0.00 0.00 66.02 63.89 1ssn s SER 41 CO -0.02 -0.30 3.12 -0.81 0.41 0.00 0.00 173.24 175.63 1ssn n PRO 42 N -1.08 2.22 -3.36 12.44 -0.04 -1.25 -4.76 135.00 139.17 1ssn n PRO 42 Ca 0.01 -1.76 -0.14 0.00 -0.04 0.00 0.00 63.50 61.57 1ssn n PRO 42 Cb 0.54 -2.07 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 1ssn n PRO 42 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ssn s HIS 43 N -0.57 -0.61 0.26 0.54 3.76 -1.26 -4.45 115.29 112.96 1ssn s HIS 43 Ca 0.62 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1ssn s HIS 43 Cb 0.35 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.70 1ssn s HIS 43 CO -0.13 -0.96 0.00 2.48 -0.85 0.00 0.00 174.74 175.28 1ssn n TYR 44 N 5.02 -3.60 -2.91 1.40 4.11 -1.26 -4.14 117.16 115.78 1ssn n TYR 44 Ca 0.03 0.88 -0.39 0.00 -0.00 0.00 0.00 57.90 58.42 1ssn n TYR 44 Cb 0.47 2.40 -0.06 0.00 -0.00 0.00 0.00 39.34 42.15 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 -2.00 4.29 -0.21 -3.48 -7.23 -1.26 -0.92 120.40 109.59 1ssn s VAL 45 Ca 0.00 1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 61.91 1ssn s VAL 45 Cb 0.00 -4.14 0.10 0.00 0.56 0.00 0.00 36.38 32.90 1ssn s VAL 45 CO 0.00 0.43 0.26 -0.70 -0.31 0.00 0.00 175.10 174.78 1ssn s GLU 46 N -1.36 0.23 0.25 4.82 2.12 -1.26 -3.97 118.70 119.51 1ssn s GLU 46 Ca 0.40 0.27 -0.03 0.00 0.36 0.00 0.00 54.97 55.96 1ssn s GLU 46 Cb -0.23 -1.05 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 1ssn s GLU 46 CO 0.27 -0.66 0.48 -0.06 -0.54 0.00 0.00 175.26 174.75 1ssn s PHE 47 N 2.37 3.48 0.45 5.30 0.40 -0.35 -4.81 117.98 124.82 1ssn s PHE 47 Ca 0.08 0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 56.70 1ssn s PHE 47 Cb -0.16 -2.00 -0.08 0.00 0.51 0.00 0.00 43.02 41.30 1ssn s PHE 47 CO -0.13 0.27 1.09 -1.25 0.70 0.00 0.00 175.22 175.90 1ssn s PRO 48 N -3.41 3.86 0.25 0.24 0.04 -1.26 -1.47 135.00 133.24 1ssn s PRO 48 Ca 0.42 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1ssn s PRO 48 Cb -0.11 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 1ssn s PRO 48 CO 0.29 -0.42 1.27 -1.50 0.04 0.00 0.00 177.00 176.68 1ssn s ILE 49 N -1.71 3.13 -0.14 0.56 1.10 -1.26 -4.78 121.20 118.11 1ssn s ILE 49 Ca 0.63 1.02 -0.04 0.00 -0.51 0.00 0.00 60.65 61.76 1ssn s ILE 49 Cb -0.23 -3.65 0.06 0.00 0.15 0.00 0.00 42.46 38.79 1ssn s ILE 49 CO 0.28 0.20 0.15 -0.54 -2.11 0.00 0.00 174.94 172.91 1ssn s LYS 50 N -0.83 0.07 1.03 3.50 1.02 -1.26 -5.06 119.74 118.21 1ssn s LYS 50 Ca 0.52 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.58 1ssn s LYS 50 Cb -0.36 -1.04 0.24 0.00 -0.52 0.00 0.00 37.83 36.14 1ssn s LYS 50 CO 0.43 -0.52 1.33 -1.25 -0.92 0.00 0.00 175.35 174.42 1ssn s PRO 51 N 2.24 0.09 0.00 -1.68 0.04 -1.26 -4.46 135.00 129.97 1ssn s PRO 51 Ca 0.04 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1ssn s PRO 51 Cb -0.14 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ssn s PRO 51 CO -0.08 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.59 1ssn n GLY 52 N -3.51 3.06 3.77 0.56 0.00 -0.89 -5.00 105.19 103.18 1ssn n GLY 52 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.41 2.75 0.27 2.61 -1.32 -1.26 -4.69 115.64 111.59 1ssn s THR 53 Ca 0.00 0.71 -0.29 0.00 -1.21 0.00 0.00 61.69 60.90 1ssn s THR 53 Cb 0.00 -3.44 -0.09 0.00 -1.51 0.00 0.00 72.50 67.46 1ssn s THR 53 CO 0.00 0.14 1.16 -0.89 -2.21 0.00 0.00 174.62 172.81 1ssn s THR 54 N -1.21 3.35 -0.12 5.08 2.01 -1.26 -2.24 115.64 121.25 1ssn s THR 54 Ca 0.52 1.32 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 1ssn s THR 54 Cb -0.38 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1ssn s THR 54 CO 0.50 0.30 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.49 1ssn s LEU 55 N -1.30 0.92 0.18 4.42 1.98 -0.55 -4.90 118.68 119.44 1ssn s LEU 55 Ca 0.47 -0.35 -0.23 0.00 -2.89 0.00 0.00 54.13 51.13 1ssn s LEU 55 Cb -0.34 -0.59 0.07 0.00 0.66 0.00 0.00 46.19 46.00 1ssn s LEU 55 CO 0.43 -0.21 1.01 0.28 -1.89 0.00 0.00 176.35 175.97 1ssn s THR 56 N 1.87 0.00 0.10 3.68 -1.32 -1.26 -1.97 115.64 116.74 1ssn s THR 56 Ca 0.03 -0.63 -0.25 0.00 -1.21 0.00 0.00 61.69 59.63 1ssn s THR 56 Cb -0.14 -2.61 -0.11 0.00 -1.51 0.00 0.00 72.50 68.14 1ssn s THR 56 CO -0.07 0.00 1.68 0.50 -2.21 0.00 0.00 174.62 174.53 1ssn h LYS 57 N 2.00 -0.28 -0.18 7.08 3.11 -1.57 -1.54 116.57 125.20 1ssn h LYS 57 Ca -0.27 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.54 1ssn h LYS 57 Cb 1.22 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 1ssn h LYS 57 CO 0.33 -0.19 -0.13 1.05 -2.81 0.00 0.00 179.45 177.70 1ssn h GLU 58 N -0.29 0.28 0.55 1.90 -0.00 -1.91 -0.38 114.58 114.73 1ssn h GLU 58 Ca 0.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.36 59.28 1ssn h GLU 58 Cb 0.29 -0.04 0.01 0.00 -0.00 0.00 0.00 28.75 29.01 1ssn h GLU 58 CO -0.06 0.42 -0.26 0.87 -0.00 0.00 0.00 179.01 179.97 1ssn h LYS 59 N 0.27 -0.71 0.00 1.06 1.79 -1.86 -3.31 116.57 113.80 1ssn h LYS 59 Ca 0.05 0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1ssn h LYS 59 Cb 0.40 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1ssn h LYS 59 CO 0.02 -0.41 -0.18 0.97 -1.08 0.00 0.00 179.45 178.78 1ssn h ILE 60 N -1.04 0.47 0.72 1.86 -0.00 -1.16 -3.19 117.51 115.17 1ssn h ILE 60 Ca -0.08 -0.98 -0.03 0.00 -0.00 0.00 0.00 64.86 63.77 1ssn h ILE 60 Cb 0.64 1.69 -0.00 0.00 -0.00 0.00 0.00 36.82 39.15 1ssn h ILE 60 CO 0.12 0.18 -0.42 -0.08 -0.00 0.00 0.00 178.15 177.95 1ssn h GLU 61 N 0.00 -1.02 -0.49 2.19 4.81 -1.15 -1.27 114.58 117.64 1ssn h GLU 61 Ca -0.00 0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1ssn h GLU 61 Cb 0.68 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1ssn h GLU 61 CO 0.02 -0.68 -0.05 0.10 -0.73 0.00 0.00 179.01 177.67 1ssn h TYR 62 N -1.06 0.93 -0.11 0.92 -0.00 -1.69 -3.13 116.97 112.83 1ssn h TYR 62 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 58.73 58.47 1ssn h TYR 62 Cb 0.85 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 37.33 1ssn h TYR 62 CO -0.08 0.88 0.05 -0.92 -0.00 0.00 0.00 178.16 178.08 1ssn h TYR 63 N 0.79 0.16 -0.43 0.10 3.20 -1.51 -1.82 116.97 117.45 1ssn h TYR 63 Ca 0.14 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1ssn h TYR 63 Cb 0.54 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1ssn h TYR 63 CO 0.03 0.25 -0.07 -0.24 -1.64 0.00 0.00 178.16 176.49 1ssn h VAL 64 N 0.03 1.25 -0.56 1.81 3.04 -1.29 -0.39 116.25 120.14 1ssn h VAL 64 Ca 0.04 -1.09 -0.05 0.00 -1.01 0.00 0.00 66.70 64.59 1ssn h VAL 64 Cb 0.15 1.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 1ssn h VAL 64 CO -0.00 0.37 0.15 -0.33 -1.01 0.00 0.00 177.57 176.75 1ssn h GLU 65 N 0.68 0.85 -0.09 4.17 4.39 -1.47 -2.20 114.58 120.91 1ssn h GLU 65 Ca 0.12 -0.16 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1ssn h GLU 65 Cb 0.53 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1ssn h GLU 65 CO 0.03 0.75 -0.82 -1.49 -1.16 0.00 0.00 179.01 176.31 1ssn h TRP 66 N 0.82 0.84 -0.52 4.33 -0.00 -0.91 -2.83 115.95 117.67 1ssn h TRP 66 Ca 0.18 -0.39 -0.02 0.00 -0.00 0.00 0.00 58.89 58.66 1ssn h TRP 66 Cb 0.27 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 29.29 1ssn h TRP 66 CO 0.02 1.20 0.26 0.00 -0.00 0.00 0.00 178.44 179.92 1ssn h ALA 67 N 0.68 0.67 -0.15 1.49 0.00 -0.81 -0.95 119.26 120.20 1ssn h ALA 67 Ca -0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1ssn h ALA 67 Cb 1.44 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ssn h ALA 67 CO 0.16 0.22 -0.64 1.37 0.00 0.00 0.00 179.25 180.36 1ssn h LEU 68 N 0.70 0.82 0.00 0.00 8.10 -1.50 -3.20 115.31 120.22 1ssn h LEU 68 Ca 0.18 -0.62 0.00 0.00 0.11 0.00 0.00 57.88 57.55 1ssn h LEU 68 Cb 0.10 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.08 1ssn h LEU 68 CO -0.02 1.31 0.00 0.47 -4.11 0.00 0.00 178.44 176.08 1ssn n ASP 69 N -4.07 0.00 -0.28 0.17 8.00 -1.07 -2.19 116.55 117.11 1ssn n ASP 69 Ca -0.07 -0.39 -0.01 0.00 0.71 0.00 0.00 54.79 55.03 1ssn n ASP 69 Cb 0.67 -0.17 0.11 0.00 -0.02 0.00 0.00 41.12 41.72 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 3.40 1.06 0.00 2.24 0.00 -1.16 -3.31 119.26 121.49 1ssn h ALA 70 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1ssn h ALA 70 Cb 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1ssn h ALA 70 CO 0.00 0.25 -2.24 -2.37 0.00 0.00 0.00 179.25 174.89 1ssn n THR 71 N -4.65 1.24 0.00 0.00 5.66 -1.20 -4.95 114.28 110.38 1ssn n THR 71 Ca 0.10 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1ssn n THR 71 Cb 0.14 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ssn n ALA 72 N -3.08 0.00 0.00 1.79 0.00 -0.93 -4.65 120.51 113.63 1ssn n ALA 72 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ssn n ALA 72 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 0.09 0.00 9.36 -1.25 -4.03 117.16 121.33 1ssn n TYR 73 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1ssn n TYR 73 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 1ssn n TYR 73 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1ssn h LYS 74 N 0.00 -0.29 -0.49 2.98 1.57 -1.92 -3.27 116.57 115.15 1ssn h LYS 74 Ca 0.00 0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1ssn h LYS 74 Cb 0.00 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 1ssn h LYS 74 CO 0.00 -0.19 0.10 0.39 -0.57 0.00 0.00 179.45 179.18 1ssn n GLU 75 N -3.20 2.96 -3.43 3.15 1.02 -1.26 -4.91 120.64 114.96 1ssn n GLU 75 Ca -0.04 -3.03 -0.38 0.00 -0.02 0.00 0.00 57.16 53.69 1ssn n GLU 75 Cb 0.14 -1.99 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 1ssn n GLU 75 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ssn s PHE 76 N -3.01 3.67 -0.30 -0.32 5.36 -1.24 -2.68 117.98 119.46 1ssn s PHE 76 Ca 0.48 0.98 -0.04 0.00 -0.96 0.00 0.00 56.93 57.39 1ssn s PHE 76 Cb 0.40 -2.39 0.19 0.00 -0.34 0.00 0.00 43.02 40.88 1ssn s PHE 76 CO 0.09 0.49 0.73 0.50 -1.46 0.00 0.00 175.22 175.57 1ssn s ARG 77 N -0.54 0.45 0.43 10.12 3.52 -1.26 -4.88 118.95 126.79 1ssn s ARG 77 Ca 0.24 0.78 -0.22 0.00 -0.13 0.00 0.00 55.73 56.40 1ssn s ARG 77 Cb -0.16 0.43 -0.10 0.00 -1.56 0.00 0.00 34.95 33.56 1ssn s ARG 77 CO 0.13 -0.52 0.99 0.54 -0.81 0.00 0.00 175.30 175.63 1ssn s VAL 78 N 2.89 4.07 0.00 7.11 0.11 -1.26 -1.41 120.40 131.91 1ssn s VAL 78 Ca 0.14 1.38 0.00 0.00 -2.93 0.00 0.00 61.98 60.58 1ssn s VAL 78 Cb -0.13 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1ssn s VAL 78 CO -0.19 -0.18 0.00 0.55 -3.33 0.00 0.00 175.10 171.95 1ssn n VAL 79 N -0.50 0.00 -4.21 2.04 3.14 -1.03 -4.90 118.33 112.88 1ssn n VAL 79 Ca 0.07 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.26 1ssn n VAL 79 Cb 0.52 -0.86 -0.12 0.00 -1.06 0.00 0.00 33.84 32.33 1ssn n VAL 79 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1ssn s GLU 80 N -1.93 0.93 -0.02 1.45 2.02 -1.25 -5.05 118.70 114.85 1ssn s GLU 80 Ca 0.00 -1.08 -0.04 0.00 0.02 0.00 0.00 54.97 53.87 1ssn s GLU 80 Cb 0.00 -0.94 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1ssn s GLU 80 CO 0.00 0.20 0.09 -0.48 0.02 0.00 0.00 175.26 175.09 1ssn s LEU 81 N -2.00 1.70 -0.20 1.80 0.05 -1.26 -1.52 118.68 117.25 1ssn s LEU 81 Ca 0.03 0.01 -0.29 0.00 0.05 0.00 0.00 54.13 53.93 1ssn s LEU 81 Cb -0.08 0.37 -0.02 0.00 -2.05 0.00 0.00 46.19 44.41 1ssn s LEU 81 CO 0.03 -0.14 1.44 -0.62 -0.55 0.00 0.00 176.35 176.51 1ssn s ASP 82 N -0.47 6.66 0.37 1.48 2.15 -0.96 -4.91 116.67 120.99 1ssn s ASP 82 Ca -0.05 1.64 0.17 0.00 0.43 0.00 0.00 52.55 54.73 1ssn s ASP 82 Cb -0.03 -2.54 0.68 0.00 -0.30 0.00 0.00 42.92 40.73 1ssn s ASP 82 CO 0.00 -1.02 1.75 1.55 -0.17 0.00 0.00 175.17 177.29 1ssn h PRO 83 N 9.45 0.00 -2.57 4.34 0.13 -2.00 -3.30 132.00 138.05 1ssn h PRO 83 Ca -0.31 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 1ssn h PRO 83 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 1ssn h PRO 83 CO 0.99 0.40 2.25 0.43 -0.23 0.00 0.00 178.00 181.85 1ssn n SER 84 N -3.68 7.82 -4.57 1.44 7.64 -1.26 -4.92 113.62 116.09 1ssn n SER 84 Ca -0.01 -3.01 -0.29 0.00 1.01 0.00 0.00 58.87 56.57 1ssn n SER 84 Cb 0.49 -1.38 0.21 0.00 -1.01 0.00 0.00 64.21 62.53 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 -0.51 0.26 -0.17 -0.43 0.00 -1.24 -4.86 121.76 114.81 1ssn s ALA 85 Ca 0.58 -0.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 1ssn s ALA 85 Cb 0.22 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 20.13 1ssn s ALA 85 CO -0.10 -3.37 0.56 -1.59 0.00 0.00 0.00 175.76 171.26 1ssn s LYS 86 N -4.61 0.72 -0.42 0.00 -2.85 -1.20 -1.72 119.74 109.67 1ssn s LYS 86 Ca 0.67 0.63 -0.25 0.00 -1.00 0.00 0.00 55.97 56.02 1ssn s LYS 86 Cb -0.23 0.35 0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1ssn s LYS 86 CO 0.62 -0.12 0.88 0.42 0.10 0.00 0.00 175.35 177.24 1ssn s ILE 87 N -0.06 4.57 -1.06 3.79 1.09 -0.11 -2.62 121.20 126.79 1ssn s ILE 87 Ca -0.03 0.82 -0.04 0.00 -1.10 0.00 0.00 60.65 60.30 1ssn s ILE 87 Cb -0.04 -4.36 0.30 0.00 -1.06 0.00 0.00 42.46 37.31 1ssn s ILE 87 CO 0.02 -0.68 1.42 -0.62 -0.10 0.00 0.00 174.94 174.98 1ssn n GLU 88 N 6.89 4.33 -2.11 2.79 -0.58 -0.48 -2.42 120.64 129.06 1ssn n GLU 88 Ca 0.05 -4.56 -0.38 0.00 -0.42 0.00 0.00 57.16 51.86 1ssn n GLU 88 Cb 0.48 -2.50 -0.03 0.00 -0.57 0.00 0.00 31.44 28.82 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ssn s VAL 89 N -2.69 3.41 -0.23 2.62 0.11 -1.18 -2.80 120.40 119.64 1ssn s VAL 89 Ca 0.31 0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 59.42 1ssn s VAL 89 Cb 0.04 -4.08 -0.05 0.00 -1.53 0.00 0.00 36.38 30.77 1ssn s VAL 89 CO 0.09 -1.04 0.21 -0.89 -3.33 0.00 0.00 175.10 170.14 1ssn s THR 90 N 8.70 5.33 -0.02 5.04 2.01 -0.72 -3.20 115.64 132.78 1ssn s THR 90 Ca 0.63 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1ssn s THR 90 Cb -0.11 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1ssn s THR 90 CO 0.18 0.33 0.01 -0.72 -0.69 0.00 0.00 174.62 173.73 1ssn s TYR 91 N 1.09 0.09 -1.00 4.92 -0.85 -1.17 -1.25 117.35 119.18 1ssn s TYR 91 Ca 0.10 0.07 -0.01 0.00 -0.52 0.00 0.00 57.07 56.71 1ssn s TYR 91 Cb -0.14 -0.21 0.32 0.00 0.38 0.00 0.00 41.96 42.31 1ssn s TYR 91 CO 0.05 -0.07 1.76 0.66 -1.52 0.00 0.00 175.55 176.43 1ssn n TYR 92 N 3.86 2.83 -2.64 -3.49 4.01 -1.26 -2.96 117.16 117.51 1ssn n TYR 92 Ca -0.23 -2.65 -0.43 0.00 -0.16 0.00 0.00 57.90 54.43 1ssn n TYR 92 Cb 0.53 -1.16 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 1ssn n TYR 92 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ssn s ASP 93 N -1.49 6.80 -1.43 7.72 2.15 -1.26 -2.41 116.67 126.75 1ssn s ASP 93 Ca 0.39 -2.32 -0.11 0.00 0.43 0.00 0.00 52.55 50.94 1ssn s ASP 93 Cb 0.19 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.32 1ssn s ASP 93 CO -0.12 -1.17 2.29 0.29 -0.17 0.00 0.00 175.17 176.28 1ssn n LYS 94 N 8.04 3.34 0.00 4.34 4.76 -1.26 -1.30 118.16 136.07 1ssn n LYS 94 Ca 0.43 -2.83 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 1ssn n LYS 94 Cb 0.47 -3.06 0.00 0.00 -1.84 0.00 0.00 35.03 30.60 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ssn n ASN 95 N 4.74 0.00 0.12 4.39 3.02 -1.26 -4.90 115.26 121.37 1ssn n ASN 95 Ca 0.55 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1ssn n ASN 95 Cb 0.34 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.41 0.00 0.22 3.52 2.85 -1.24 -4.98 118.16 116.11 1ssn n LYS 96 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1ssn n LYS 96 Cb 0.00 0.00 0.35 0.00 -0.65 0.00 0.00 35.03 34.73 1ssn n LYS 96 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1ssn h LYS 97 N 0.00 0.00 -0.80 -1.58 3.64 -1.80 -3.49 116.57 112.54 1ssn h LYS 97 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1ssn h LYS 97 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1ssn h LYS 97 CO 0.00 0.17 -0.26 1.17 -2.27 0.00 0.00 179.45 178.26 1ssn n LYS 98 N -3.22 -0.75 -1.54 1.90 4.81 -0.42 -4.74 118.16 114.19 1ssn n LYS 98 Ca 0.02 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.63 1ssn n LYS 98 Cb 0.48 -0.89 -0.05 0.00 0.02 0.00 0.00 35.03 34.60 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 -2.70 1.34 -3.84 1.64 2.13 -1.26 -4.18 120.64 113.77 1ssn n GLU 99 Ca -0.02 0.27 -0.12 0.00 0.66 0.00 0.00 57.16 57.95 1ssn n GLU 99 Cb 0.16 -3.02 -0.11 0.00 0.27 0.00 0.00 31.44 28.74 1ssn n GLU 99 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ssn s GLU 100 N 7.12 0.37 -0.42 5.31 2.02 -1.15 -5.04 118.70 126.91 1ssn s GLU 100 Ca 1.04 -0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.99 1ssn s GLU 100 Cb -0.46 0.16 0.11 0.00 0.10 0.00 0.00 34.13 34.04 1ssn s GLU 100 CO 0.36 -0.08 0.15 0.99 0.02 0.00 0.00 175.26 176.70 1ssn s THR 101 N -0.69 2.47 0.01 3.63 2.01 -1.26 -3.07 115.64 118.73 1ssn s THR 101 Ca -0.08 -2.74 -0.30 0.00 0.31 0.00 0.00 61.69 58.88 1ssn s THR 101 Cb -0.05 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.64 1ssn s THR 101 CO 0.01 -0.69 1.40 -0.54 -0.69 0.00 0.00 174.62 174.11 1ssn s LYS 102 N 0.41 4.29 -1.15 4.92 -0.14 -1.19 -4.88 119.74 122.00 1ssn s LYS 102 Ca 0.13 1.97 -0.04 0.00 -1.36 0.00 0.00 55.97 56.68 1ssn s LYS 102 Cb -0.22 -3.56 0.25 0.00 -1.68 0.00 0.00 37.83 32.62 1ssn s LYS 102 CO -0.05 -0.57 1.92 0.43 -0.76 0.00 0.00 175.35 176.32 1ssn n SER 103 N 5.29 7.11 -4.68 2.83 7.64 -1.26 -3.12 113.62 127.43 1ssn n SER 103 Ca 0.13 -3.42 -0.42 0.00 1.01 0.00 0.00 58.87 56.16 1ssn n SER 103 Cb 0.44 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 1ssn n SER 103 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ssn s PHE 104 N -2.65 3.15 0.69 1.43 5.36 -1.02 -4.90 117.98 120.04 1ssn s PHE 104 Ca 0.41 1.18 -0.11 0.00 -0.96 0.00 0.00 56.93 57.46 1ssn s PHE 104 Cb 0.15 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1ssn s PHE 104 CO -0.06 -1.38 1.07 -1.25 -1.46 0.00 0.00 175.22 172.15 1ssn s PRO 105 N 2.36 3.02 0.52 10.12 0.04 -1.26 -0.93 135.00 148.86 1ssn s PRO 105 Ca 0.56 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 1ssn s PRO 105 Cb -0.24 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 1ssn s PRO 105 CO 0.21 -0.96 1.02 -1.50 0.04 0.00 0.00 177.00 175.81 1ssn s ILE 106 N -3.24 4.10 0.55 0.56 1.10 -0.70 -4.77 121.20 118.80 1ssn s ILE 106 Ca 0.57 1.13 0.07 0.00 -0.51 0.00 0.00 60.65 61.91 1ssn s ILE 106 Cb -0.12 -3.53 0.07 0.00 0.15 0.00 0.00 42.46 39.03 1ssn s ILE 106 CO 0.53 -0.46 0.58 0.35 -2.11 0.00 0.00 174.94 173.83 1ssn n THR 107 N -1.41 0.00 0.45 4.00 -2.24 -1.26 -4.93 114.28 108.89 1ssn n THR 107 Ca 0.08 -2.01 0.05 0.00 -2.27 0.00 0.00 64.05 59.91 1ssn n THR 107 Cb 0.53 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 1ssn n THR 107 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ssn n GLU 108 N -1.97 2.96 0.00 -0.78 0.00 -1.26 -1.43 120.64 118.16 1ssn n GLU 108 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1ssn n GLU 108 Cb 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.98 1ssn n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ssn n LYS 109 N -1.34 0.00 0.00 3.44 5.02 -1.26 -4.85 118.16 119.17 1ssn n LYS 109 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1ssn n LYS 109 Cb 0.19 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1ssn n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ssn n GLY 110 N 2.59 -1.02 3.69 0.72 0.00 -1.26 -4.91 105.19 105.01 1ssn n GLY 110 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 3.12 0.16 1.61 -0.71 -0.83 -4.58 117.98 116.75 1ssn s PHE 111 Ca 0.00 1.09 -0.30 0.00 -1.04 0.00 0.00 56.93 56.68 1ssn s PHE 111 Cb 0.00 -3.51 -0.07 0.00 -1.21 0.00 0.00 43.02 38.23 1ssn s PHE 111 CO 0.00 -1.70 1.10 0.08 -1.34 0.00 0.00 175.22 173.36 1ssn s VAL 112 N 2.08 3.92 -0.20 -2.49 1.01 -1.26 -1.48 120.40 121.97 1ssn s VAL 112 Ca 0.59 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 1ssn s VAL 112 Cb -0.28 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1ssn s VAL 112 CO 0.25 0.27 2.03 -0.69 0.00 0.00 0.00 175.10 176.95 1ssn s VAL 113 N -0.12 3.19 -1.37 2.92 1.01 -0.95 -4.87 120.40 120.21 1ssn s VAL 113 Ca 0.50 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.77 1ssn s VAL 113 Cb -0.29 -3.22 0.34 0.00 0.00 0.00 0.00 36.38 33.21 1ssn s VAL 113 CO 0.34 -0.12 1.18 -0.81 0.00 0.00 0.00 175.10 175.69 1ssn n PRO 114 N 8.39 2.29 0.00 2.72 -0.04 -1.26 -2.09 135.00 145.00 1ssn n PRO 114 Ca 0.26 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1ssn n PRO 114 Cb 0.45 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1ssn n PRO 114 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ssn n ASP 115 N 0.41 -2.22 -3.58 3.54 2.03 -1.26 -4.96 116.55 110.52 1ssn n ASP 115 Ca 0.12 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.30 1ssn n ASP 115 Cb 0.48 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 1ssn n ASP 115 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ssn s LEU 116 N 0.00 -0.57 0.19 -2.67 0.20 -1.26 -5.13 118.68 109.44 1ssn s LEU 116 Ca 0.00 0.81 -0.16 0.00 0.69 0.00 0.00 54.13 55.47 1ssn s LEU 116 Cb 0.00 2.24 0.02 0.00 -0.43 0.00 0.00 46.19 48.02 1ssn s LEU 116 CO 0.00 -0.39 0.48 -0.55 -0.29 0.00 0.00 176.35 175.60 1ssn s SER 117 N -0.61 -0.21 0.00 3.68 0.15 -1.26 -5.02 113.70 110.43 1ssn s SER 117 Ca -0.04 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1ssn s SER 117 Cb -0.02 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1ssn s SER 117 CO 0.03 -1.03 0.00 1.21 1.20 0.00 0.00 173.24 174.66 1ssn n GLU 118 N -0.32 0.00 -0.12 5.44 0.00 -1.26 -4.46 120.64 119.92 1ssn n GLU 118 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.94 1ssn n GLU 118 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.04 1ssn n GLU 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 1ssn h HIS 119 N 0.00 1.02 -3.32 4.31 2.07 -2.06 -3.46 115.15 113.72 1ssn h HIS 119 Ca 0.00 -0.28 -0.18 0.00 -2.85 0.00 0.00 60.37 57.06 1ssn h HIS 119 Cb 0.00 -0.22 -0.04 0.00 2.57 0.00 0.00 27.41 29.71 1ssn h HIS 119 CO 0.00 1.07 -0.16 0.44 -3.07 0.00 0.00 177.93 176.21 1ssn n ILE 120 N -4.17 0.00 -2.03 6.12 -5.35 -1.26 -4.53 119.36 108.14 1ssn n ILE 120 Ca -0.02 -0.84 -0.06 0.00 -0.27 0.00 0.00 62.75 61.56 1ssn n ILE 120 Cb 0.48 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.68 1ssn n ILE 120 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1ssn n LYS 121 N -0.27 0.00 -2.69 6.28 2.85 -1.26 -4.58 118.16 118.49 1ssn n LYS 121 Ca 0.00 -0.95 -0.07 0.00 -1.05 0.00 0.00 58.31 56.24 1ssn n LYS 121 Cb 0.21 0.41 0.10 0.00 -0.65 0.00 0.00 35.03 35.11 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ssn n ASN 122 N 0.03 -1.26 -4.66 -5.58 2.04 -1.26 -4.52 115.26 100.04 1ssn n ASN 122 Ca -0.23 -2.52 -0.42 0.00 -0.44 0.00 0.00 54.58 50.96 1ssn n ASN 122 Cb 0.70 0.73 -0.03 0.00 -2.53 0.00 0.00 39.78 38.65 1ssn n ASN 122 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1ssn s PRO 123 N -0.45 4.19 -0.93 -0.53 0.04 -1.26 -4.29 135.00 131.77 1ssn s PRO 123 Ca 0.23 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1ssn s PRO 123 Cb 0.41 -3.93 0.26 0.00 0.04 0.00 0.00 34.50 31.28 1ssn s PRO 123 CO -0.06 -0.82 1.00 0.41 0.04 0.00 0.00 177.00 177.56 1ssn n GLY 124 N 4.11 4.52 3.57 0.56 0.00 -0.38 -2.68 105.19 114.89 1ssn n GLY 124 Ca 0.17 -2.64 -0.19 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.92 1.44 -0.63 1.61 0.08 -0.71 -1.76 117.98 116.08 1ssn s PHE 125 Ca 0.31 1.53 -0.20 0.00 0.12 0.00 0.00 56.93 58.69 1ssn s PHE 125 Cb -0.01 -3.63 0.10 0.00 -0.57 0.00 0.00 43.02 38.90 1ssn s PHE 125 CO -0.04 -1.30 0.81 -0.80 -0.10 0.00 0.00 175.22 173.79 1ssn s ASN 126 N 8.88 6.20 -0.83 1.36 0.01 -1.12 -3.12 114.94 126.32 1ssn s ASN 126 Ca 0.80 -1.33 -0.25 0.00 -0.71 0.00 0.00 52.86 51.37 1ssn s ASN 126 Cb -0.07 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1ssn s ASN 126 CO 0.10 -1.22 1.58 -0.76 -1.51 0.00 0.00 177.10 175.29 1ssn s LEU 127 N 3.11 3.29 -0.22 0.60 2.01 -0.16 -1.38 118.68 125.93 1ssn s LEU 127 Ca 0.16 -0.62 -0.05 0.00 0.01 0.00 0.00 54.13 53.63 1ssn s LEU 127 Cb -0.21 -2.56 -0.02 0.00 0.01 0.00 0.00 46.19 43.41 1ssn s LEU 127 CO 0.07 -2.04 0.01 -0.63 1.01 0.00 0.00 176.35 174.77 1ssn s ILE 128 N 7.08 3.89 0.47 -0.59 1.01 -1.08 -3.18 121.20 128.81 1ssn s ILE 128 Ca 0.52 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.88 1ssn s ILE 128 Cb -0.06 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1ssn s ILE 128 CO 0.06 0.40 0.03 -0.89 0.00 0.00 0.00 174.94 174.53 1ssn s THR 129 N 1.34 1.51 -0.13 2.92 2.01 -1.24 -3.26 115.64 118.79 1ssn s THR 129 Ca 0.04 -1.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.05 1ssn s THR 129 Cb -0.15 -2.47 0.05 0.00 0.01 0.00 0.00 72.50 69.94 1ssn s THR 129 CO 0.01 0.00 0.03 -0.75 -0.69 0.00 0.00 174.62 173.22 1ssn s LYS 130 N -3.84 0.50 0.05 4.92 2.20 -1.26 -0.56 119.74 121.75 1ssn s LYS 130 Ca 0.18 -0.12 0.07 0.00 -0.36 0.00 0.00 55.97 55.74 1ssn s LYS 130 Cb 0.04 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.80 1ssn s LYS 130 CO 0.09 -0.50 -0.19 0.14 -0.36 0.00 0.00 175.35 174.54 1ssn s VAL 131 N 1.96 1.49 -0.44 4.02 -7.23 -1.18 -2.26 120.40 116.77 1ssn s VAL 131 Ca 0.02 -1.20 -0.28 0.00 -1.81 0.00 0.00 61.98 58.71 1ssn s VAL 131 Cb -0.15 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.49 1ssn s VAL 131 CO -0.07 0.09 1.07 -0.69 -0.31 0.00 0.00 175.10 175.19 1ssn s VAL 132 N -0.89 4.34 -0.40 1.32 1.01 -0.57 -2.21 120.40 123.00 1ssn s VAL 132 Ca 0.05 1.24 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 1ssn s VAL 132 Cb -0.09 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.79 1ssn s VAL 132 CO 0.02 -0.84 0.27 -0.63 0.00 0.00 0.00 175.10 173.92 1ssn s ILE 133 N 4.11 5.09 -0.75 2.22 1.01 -0.66 -2.45 121.20 129.77 1ssn s ILE 133 Ca 0.45 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 60.19 1ssn s ILE 133 Cb -0.09 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.63 1ssn s ILE 133 CO 0.27 -0.27 1.10 -1.61 0.00 0.00 0.00 174.94 174.42 1ssn s GLU 134 N 1.65 3.25 0.14 2.79 0.41 -0.50 -4.69 118.70 121.75 1ssn s GLU 134 Ca 0.04 -0.88 -0.31 0.00 -0.41 0.00 0.00 54.97 53.41 1ssn s GLU 134 Cb -0.19 -4.43 -0.10 0.00 -1.78 0.00 0.00 34.13 27.63 1ssn s GLU 134 CO 0.09 -1.92 1.75 0.21 -0.49 0.00 0.00 175.26 174.90 1ssn s LYS 135 N 4.29 4.15 0.00 1.61 2.20 -1.26 -4.17 119.74 126.56 1ssn s LYS 135 Ca 0.29 2.53 0.24 0.00 -0.36 0.00 0.00 55.97 58.66 1ssn s LYS 135 Cb -0.12 -3.43 1.42 0.00 -1.51 0.00 0.00 37.83 34.19 1ssn s LYS 135 CO 0.06 -0.78 1.79 1.63 -0.36 0.00 0.00 175.35 177.69