#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 -6.82 -3.83 6.43 7.64 -1.25 -4.71 113.62 111.08 1ssn n SER 2 Ca 0.00 0.89 -0.27 0.00 1.01 0.00 0.00 58.87 60.50 1ssn n SER 2 Cb 0.00 -3.18 0.04 0.00 -1.01 0.00 0.00 64.21 60.05 1ssn n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ssn n SER 3 N 0.48 -4.23 -0.70 6.43 7.64 -1.26 -4.42 113.62 117.56 1ssn n SER 3 Ca 0.00 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1ssn n SER 3 Cb 0.00 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 1ssn n SER 3 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1ssn n PHE 4 N -4.64 -1.70 -1.58 1.43 -0.00 -1.26 -4.71 117.46 105.00 1ssn n PHE 4 Ca -0.04 0.90 -0.42 0.00 -0.00 0.00 0.00 57.45 57.89 1ssn n PHE 4 Cb 0.56 -2.31 -0.02 0.00 -0.00 0.00 0.00 39.48 37.72 1ssn n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ssn n ASP 5 N -0.04 3.51 -3.68 -2.13 2.03 -1.26 -4.75 116.55 110.23 1ssn n ASP 5 Ca 0.00 -2.80 0.02 0.00 0.52 0.00 0.00 54.79 52.53 1ssn n ASP 5 Cb 0.00 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 1ssn n ASP 5 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1ssn s LYS 6 N 3.69 0.41 0.00 -0.67 -2.85 -1.26 -4.98 119.74 114.08 1ssn s LYS 6 Ca 0.50 -0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 1ssn s LYS 6 Cb 0.14 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1ssn s LYS 6 CO -0.03 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1ssn n GLY 7 N -0.64 -0.19 3.60 0.59 0.00 -1.26 -4.64 105.19 102.65 1ssn n GLY 7 Ca -0.04 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1ssn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssn s LYS 8 N 0.00 3.43 -0.42 1.61 1.02 -1.26 -4.88 119.74 119.23 1ssn s LYS 8 Ca 0.00 1.19 0.04 0.00 0.02 0.00 0.00 55.97 57.22 1ssn s LYS 8 Cb 0.00 -4.12 0.17 0.00 -0.52 0.00 0.00 37.83 33.35 1ssn s LYS 8 CO 0.00 -1.74 0.34 -0.47 -0.92 0.00 0.00 175.35 172.56 1ssn s TYR 9 N 6.26 1.19 -0.27 3.18 5.04 -0.91 -5.00 117.35 126.85 1ssn s TYR 9 Ca 0.71 -2.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.00 1ssn s TYR 9 Cb -0.18 -1.01 0.26 0.00 0.35 0.00 0.00 41.96 41.39 1ssn s TYR 9 CO 0.33 -0.82 1.73 0.36 -1.34 0.00 0.00 175.55 175.82 1ssn n LYS 10 N 2.85 1.70 0.00 4.97 2.85 -1.11 -4.32 118.16 125.10 1ssn n LYS 10 Ca 0.29 -1.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.05 1ssn n LYS 10 Cb 0.47 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ssn n LYS 11 N 0.04 0.00 0.00 -1.58 0.00 -1.26 -3.04 118.16 112.32 1ssn n LYS 11 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1ssn n LYS 11 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.84 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ssn n GLY 12 N 0.00 0.19 2.25 3.14 0.00 -1.26 -5.04 105.19 104.47 1ssn n GLY 12 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ssn n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ssn n ASP 13 N 0.00 -3.27 -3.80 1.61 5.68 -1.17 -1.10 116.55 114.50 1ssn n ASP 13 Ca 0.00 0.25 -0.30 0.00 -0.50 0.00 0.00 54.79 54.24 1ssn n ASP 13 Cb 0.06 -2.90 -0.01 0.00 -1.14 0.00 0.00 41.12 37.14 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ssn n ASP 14 N -1.28 -3.85 0.00 -1.12 8.00 -1.26 -4.26 116.55 112.78 1ssn n ASP 14 Ca -0.12 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1ssn n ASP 14 Cb 0.52 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 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 -4.10 0.00 -2.95 2.24 0.00 -1.17 -3.52 120.51 111.01 1ssn n ALA 15 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1ssn n ALA 15 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 1ssn n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ssn n SER 16 N -1.29 -3.09 -3.67 0.00 2.88 -0.26 -3.95 113.62 104.25 1ssn n SER 16 Ca 0.00 -0.33 -0.29 0.00 -1.33 0.00 0.00 58.87 56.91 1ssn n SER 16 Cb 0.00 -3.11 0.04 0.00 -0.75 0.00 0.00 64.21 60.39 1ssn n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssn n TYR 17 N -3.27 -1.97 -3.18 0.66 9.36 -1.26 -4.98 117.16 112.51 1ssn n TYR 17 Ca -0.09 0.51 0.02 0.00 3.32 0.00 0.00 57.90 61.66 1ssn n TYR 17 Cb 0.57 -3.38 -0.01 0.00 -0.63 0.00 0.00 39.34 35.89 1ssn n TYR 17 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1ssn s PHE 18 N -3.38 -1.73 0.38 2.98 5.36 -1.25 -5.16 117.98 115.16 1ssn s PHE 18 Ca 0.40 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 1ssn s PHE 18 Cb -0.15 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1ssn s PHE 18 CO 0.86 -1.13 0.00 0.39 -1.46 0.00 0.00 175.22 173.89 1ssn n GLU 19 N 4.69 -2.23 -1.54 10.12 1.02 -1.26 -4.52 120.64 126.91 1ssn n GLU 19 Ca 0.09 1.73 -0.29 0.00 -0.02 0.00 0.00 57.16 58.67 1ssn n GLU 19 Cb 0.56 -2.64 -0.07 0.00 -0.02 0.00 0.00 31.44 29.27 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 -3.71 0.69 0.00 3.49 -0.02 -1.26 -4.42 135.00 129.77 1ssn n PRO 20 Ca -0.04 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1ssn n PRO 20 Cb 0.47 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 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 7.98 0.00 -3.64 3.45 -2.24 -1.26 -5.04 114.28 113.53 1ssn n THR 21 Ca 0.46 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.19 1ssn n THR 21 Cb 0.42 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.33 0.13 0.65 3.38 0.00 -1.23 -4.91 107.32 103.02 1ssn s GLY 22 Ca 0.00 3.03 -0.06 0.00 0.00 0.00 0.00 44.72 47.70 1ssn s GLY 22 CO 0.00 1.59 0.96 2.56 0.00 0.00 0.00 173.10 178.21 1ssn s PRO 23 N -0.35 2.46 0.04 2.90 0.04 -1.15 -4.53 135.00 134.40 1ssn s PRO 23 Ca 0.06 -0.23 -0.27 0.00 0.04 0.00 0.00 61.00 60.60 1ssn s PRO 23 Cb -0.03 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.37 1ssn s PRO 23 CO -0.10 -1.02 0.80 1.52 0.04 0.00 0.00 177.00 178.25 1ssn s TYR 24 N -3.12 -0.40 -0.29 0.56 1.13 -1.26 -4.46 117.35 109.51 1ssn s TYR 24 Ca 0.58 0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 56.44 1ssn s TYR 24 Cb -0.11 0.55 0.16 0.00 -1.10 0.00 0.00 41.96 41.46 1ssn s TYR 24 CO 0.44 -0.64 0.57 -1.17 -2.51 0.00 0.00 175.55 172.25 1ssn s LEU 25 N -2.56 -1.18 0.16 -3.49 0.20 -0.56 -2.87 118.68 108.38 1ssn s LEU 25 Ca 0.04 0.97 -0.02 0.00 0.69 0.00 0.00 54.13 55.81 1ssn s LEU 25 Cb -0.01 2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 47.71 1ssn s LEU 25 CO -0.10 -0.25 0.36 -0.04 -0.29 0.00 0.00 176.35 176.03 1ssn s MET 26 N 2.81 3.55 -0.36 1.98 -1.94 -0.83 -1.28 119.30 123.22 1ssn s MET 26 Ca 0.12 -0.25 0.01 0.00 -1.71 0.00 0.00 55.69 53.85 1ssn s MET 26 Cb -0.14 -2.87 0.14 0.00 2.01 0.00 0.00 34.83 33.97 1ssn s MET 26 CO -0.19 0.45 0.24 0.08 -0.01 0.00 0.00 175.02 175.59 1ssn s VAL 27 N -1.74 0.08 0.00 -6.03 1.01 -1.07 -1.65 120.40 111.01 1ssn s VAL 27 Ca 0.39 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1ssn s VAL 27 Cb -0.12 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1ssn s VAL 27 CO 0.27 -0.95 0.00 0.59 0.00 0.00 0.00 175.10 175.01 1ssn n ASN 28 N 4.01 0.00 -4.00 3.32 4.13 -1.16 -4.67 115.26 116.88 1ssn n ASN 28 Ca 0.13 -0.29 -0.12 0.00 1.68 0.00 0.00 54.58 55.98 1ssn n ASN 28 Cb 0.39 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.51 1ssn n ASN 28 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1ssn s VAL 29 N -1.69 0.31 -0.87 2.41 -7.23 -1.26 -3.30 120.40 108.77 1ssn s VAL 29 Ca 0.00 -0.83 -0.22 0.00 -1.81 0.00 0.00 61.98 59.12 1ssn s VAL 29 Cb 0.00 -0.39 0.08 0.00 0.56 0.00 0.00 36.38 36.63 1ssn s VAL 29 CO 0.00 -0.35 1.19 -0.89 -0.31 0.00 0.00 175.10 174.75 1ssn s THR 30 N -1.17 4.30 -1.02 5.32 2.01 -1.16 -4.06 115.64 119.86 1ssn s THR 30 Ca -0.10 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 60.82 1ssn s THR 30 Cb -0.08 -4.85 0.07 0.00 0.01 0.00 0.00 72.50 67.64 1ssn s THR 30 CO -0.00 -1.65 1.41 -0.83 -0.69 0.00 0.00 174.62 172.85 1ssn s GLY 31 N 4.03 1.42 0.43 4.40 0.00 -1.26 -2.65 107.32 113.69 1ssn s GLY 31 Ca 0.34 -2.40 0.08 0.00 0.00 0.00 0.00 44.72 42.74 1ssn s GLY 31 CO -0.02 2.56 0.54 -1.34 0.00 0.00 0.00 173.10 174.83 1ssn s VAL 32 N 4.47 2.85 0.90 1.40 -7.23 -0.77 -1.36 120.40 120.67 1ssn s VAL 32 Ca 0.44 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 1ssn s VAL 32 Cb -0.01 -2.94 0.19 0.00 0.56 0.00 0.00 36.38 34.18 1ssn s VAL 32 CO -0.09 0.00 1.23 -1.81 -0.31 0.00 0.00 175.10 174.13 1ssn s ASP 33 N -4.32 3.36 0.25 4.85 1.01 -0.88 -1.42 116.67 119.53 1ssn s ASP 33 Ca 0.54 -0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.73 1ssn s ASP 33 Cb -0.08 -0.07 0.33 0.00 1.01 0.00 0.00 42.92 44.11 1ssn s ASP 33 CO 0.32 -2.55 1.89 -1.28 0.21 0.00 0.00 175.17 173.77 1ssn h SER 34 N -1.34 1.04 0.47 0.27 0.87 -1.93 -2.80 113.55 110.13 1ssn h SER 34 Ca -0.41 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1ssn h SER 34 Cb 1.23 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1ssn h SER 34 CO 0.35 0.70 -0.25 0.11 -0.53 0.00 0.00 176.83 177.22 1ssn h LYS 35 N 1.21 -0.64 0.00 2.24 1.79 -2.01 -3.47 116.57 115.68 1ssn h LYS 35 Ca 0.39 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1ssn h LYS 35 Cb 0.04 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1ssn h LYS 35 CO -0.13 -0.43 0.00 0.41 -1.08 0.00 0.00 179.45 178.22 1ssn n GLY 36 N -1.38 0.62 3.53 3.86 0.00 -1.06 -5.14 105.19 105.62 1ssn n GLY 36 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.62 6.05 -0.17 1.61 0.01 -1.26 -4.76 114.94 115.79 1ssn s ASN 37 Ca 0.00 -0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 51.45 1ssn s ASN 37 Cb 0.00 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 1ssn s ASN 37 CO 0.00 -0.23 1.88 -0.70 -1.51 0.00 0.00 177.10 176.54 1ssn s GLU 38 N 1.72 3.64 -0.11 -0.60 2.12 -1.26 -2.08 118.70 122.13 1ssn s GLU 38 Ca 0.06 1.95 -0.26 0.00 0.36 0.00 0.00 54.97 57.08 1ssn s GLU 38 Cb -0.17 -4.17 -0.23 0.00 0.26 0.00 0.00 34.13 29.82 1ssn s GLU 38 CO 0.10 -1.50 0.81 -0.07 -0.54 0.00 0.00 175.26 174.06 1ssn h LEU 39 N 12.58 -0.01 0.00 2.70 4.07 -1.55 -3.49 115.31 129.62 1ssn h LEU 39 Ca -0.39 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 56.77 1ssn h LEU 39 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1ssn h LEU 39 CO 0.98 0.83 0.00 0.18 -1.08 0.00 0.00 178.44 179.35 1ssn n LEU 40 N -4.69 0.00 -3.66 1.67 4.77 -1.22 -5.11 117.00 108.77 1ssn n LEU 40 Ca -0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.82 1ssn n LEU 40 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1ssn n LEU 40 CO 0.31 0.00 0.13 -0.44 -1.33 0.00 0.00 177.39 176.06 1ssn s SER 41 N -1.00 -0.61 1.02 -1.43 0.01 -1.26 -4.92 113.70 105.51 1ssn s SER 41 Ca 0.00 1.18 -0.03 0.00 1.31 0.00 0.00 55.95 58.41 1ssn s SER 41 Cb 0.00 1.45 0.04 0.00 0.21 0.00 0.00 66.02 67.71 1ssn s SER 41 CO 0.00 -0.22 0.15 -0.81 0.41 0.00 0.00 173.24 172.77 1ssn n PRO 42 N 5.01 -0.93 -2.64 12.44 -0.04 -1.26 -4.78 135.00 142.81 1ssn n PRO 42 Ca -0.14 -0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.04 1ssn n PRO 42 Cb 0.52 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1ssn n PRO 42 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ssn n HIS 43 N -2.63 -2.60 0.15 0.54 8.25 -1.26 -4.43 115.22 113.24 1ssn n HIS 43 Ca 0.02 1.02 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1ssn n HIS 43 Cb 0.08 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 27.62 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 -0.90 -2.89 -2.01 4.41 4.11 -1.26 -2.14 117.16 116.47 1ssn n TYR 44 Ca 0.05 0.69 -0.42 0.00 -0.00 0.00 0.00 57.90 58.22 1ssn n TYR 44 Cb 0.42 1.44 -0.03 0.00 -0.00 0.00 0.00 39.34 41.17 1ssn n TYR 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1ssn s VAL 45 N -1.86 3.31 0.00 -3.48 1.01 -1.26 -4.58 120.40 113.54 1ssn s VAL 45 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 1ssn s VAL 45 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1ssn s VAL 45 CO 0.00 -0.01 0.32 -0.70 0.00 0.00 0.00 175.10 174.70 1ssn s GLU 46 N 2.87 0.72 0.01 2.72 2.12 -1.26 -2.59 118.70 123.28 1ssn s GLU 46 Ca 0.71 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.77 1ssn s GLU 46 Cb -0.36 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 1ssn s GLU 46 CO 0.30 -0.21 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.74 1ssn s PHE 47 N -1.66 0.15 0.09 5.30 0.08 -0.41 -5.01 117.98 116.54 1ssn s PHE 47 Ca -0.11 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.32 1ssn s PHE 47 Cb -0.04 -0.11 -0.08 0.00 -0.57 0.00 0.00 43.02 42.22 1ssn s PHE 47 CO 0.02 -0.12 1.42 -1.25 -0.10 0.00 0.00 175.22 175.20 1ssn s PRO 48 N -0.90 4.30 0.45 0.24 0.04 -1.26 -1.50 135.00 136.37 1ssn s PRO 48 Ca -0.10 2.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 1ssn s PRO 48 Cb -0.06 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1ssn s PRO 48 CO -0.01 -0.50 1.44 1.51 0.04 0.00 0.00 177.00 179.49 1ssn n ILE 49 N 4.14 2.77 -3.80 0.56 3.06 -1.26 -4.92 119.36 119.92 1ssn n ILE 49 Ca 0.12 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.57 1ssn n ILE 49 Cb 0.42 -1.85 -0.15 0.00 0.54 0.00 0.00 39.64 38.60 1ssn n ILE 49 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1ssn s LYS 50 N -2.44 1.01 0.67 9.51 2.20 -1.26 -5.01 119.74 124.42 1ssn s LYS 50 Ca 0.61 -1.45 -0.13 0.00 -0.36 0.00 0.00 55.97 54.64 1ssn s LYS 50 Cb -0.45 -2.34 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1ssn s LYS 50 CO 0.58 -1.01 1.07 -1.25 -0.36 0.00 0.00 175.35 174.37 1ssn s PRO 51 N 1.19 2.95 0.00 4.03 0.04 -1.26 -4.48 135.00 137.47 1ssn s PRO 51 Ca 0.12 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1ssn s PRO 51 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1ssn s PRO 51 CO -0.16 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1ssn n GLY 52 N -1.33 0.84 3.33 0.56 0.00 -1.06 -5.03 105.19 102.51 1ssn n GLY 52 Ca 0.09 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.53 0.03 0.35 2.61 -1.32 -1.26 -4.95 115.64 108.57 1ssn s THR 53 Ca 0.00 -0.25 -0.29 0.00 -1.21 0.00 0.00 61.69 59.95 1ssn s THR 53 Cb 0.00 -0.70 -0.11 0.00 -1.51 0.00 0.00 72.50 70.18 1ssn s THR 53 CO 0.00 -0.14 1.49 -0.89 -2.21 0.00 0.00 174.62 172.88 1ssn s THR 54 N -0.87 2.13 -0.42 5.08 2.01 -1.26 -1.10 115.64 121.20 1ssn s THR 54 Ca -0.09 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1ssn s THR 54 Cb -0.04 -3.08 0.17 0.00 0.01 0.00 0.00 72.50 69.57 1ssn s THR 54 CO 0.04 0.03 0.38 -0.22 -0.69 0.00 0.00 174.62 174.17 1ssn s LEU 55 N -1.67 0.94 0.38 4.42 1.98 -0.27 -4.82 118.68 119.65 1ssn s LEU 55 Ca 0.55 -2.79 0.05 0.00 -2.89 0.00 0.00 54.13 49.05 1ssn s LEU 55 Cb -0.46 -0.09 -0.02 0.00 0.66 0.00 0.00 46.19 46.28 1ssn s LEU 55 CO 0.58 -0.17 0.18 0.42 -1.89 0.00 0.00 176.35 175.48 1ssn s THR 56 N 0.27 0.37 0.12 3.68 -4.23 -1.26 -3.47 115.64 111.12 1ssn s THR 56 Ca 0.31 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.56 1ssn s THR 56 Cb 0.01 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.40 1ssn s THR 56 CO -0.16 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.05 1ssn h LYS 57 N 1.89 -0.43 -0.81 3.99 3.64 -1.66 -2.73 116.57 120.47 1ssn h LYS 57 Ca -0.32 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1ssn h LYS 57 Cb 1.26 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.09 1ssn h LYS 57 CO 0.50 -0.28 0.42 1.05 -2.27 0.00 0.00 179.45 178.86 1ssn h GLU 58 N -0.44 0.64 0.96 1.90 4.11 -1.89 -1.24 114.58 118.61 1ssn h GLU 58 Ca 0.04 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.39 1ssn h GLU 58 Cb 0.49 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ssn h GLU 58 CO -0.19 0.42 -0.46 0.87 0.07 0.00 0.00 179.01 179.73 1ssn h LYS 59 N 0.66 -1.24 -0.81 1.06 1.79 -1.87 -3.23 116.57 112.93 1ssn h LYS 59 Ca 0.42 0.08 0.05 0.00 -2.18 0.00 0.00 60.65 59.02 1ssn h LYS 59 Cb 0.51 0.28 -0.06 0.00 -1.58 0.00 0.00 32.23 31.38 1ssn h LYS 59 CO -0.31 -0.82 0.50 0.82 -1.08 0.00 0.00 179.45 178.56 1ssn h ILE 60 N -1.32 1.05 -0.05 1.86 1.08 -1.30 -2.79 117.51 116.04 1ssn h ILE 60 Ca -0.13 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1ssn h ILE 60 Cb 0.98 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 1ssn h ILE 60 CO 0.22 0.17 -0.51 -0.08 -0.69 0.00 0.00 178.15 177.26 1ssn h GLU 61 N 0.93 -0.60 0.00 2.37 4.81 -1.24 -2.02 114.58 118.83 1ssn h GLU 61 Ca 0.35 0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.48 1ssn h GLU 61 Cb 0.13 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1ssn h GLU 61 CO -0.16 -0.40 -0.66 0.10 -0.73 0.00 0.00 179.01 177.17 1ssn h TYR 62 N -0.62 0.00 -0.38 0.92 -0.00 -1.62 -3.29 116.97 111.97 1ssn h TYR 62 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.60 1ssn h TYR 62 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.42 1ssn h TYR 62 CO -0.52 0.66 -0.39 -0.92 -0.00 0.00 0.00 178.16 176.98 1ssn h TYR 63 N 0.00 1.13 -0.02 0.10 3.20 -1.12 -1.13 116.97 119.13 1ssn h TYR 63 Ca -0.01 -0.34 -0.12 0.00 3.14 0.00 0.00 58.73 61.40 1ssn h TYR 63 Cb 1.19 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1ssn h TYR 63 CO 0.00 1.18 -0.57 -0.39 -1.64 0.00 0.00 178.16 176.74 1ssn h VAL 64 N 0.76 1.40 -0.18 1.81 -1.51 -1.52 -2.61 116.25 114.41 1ssn h VAL 64 Ca 0.06 -1.93 -0.10 0.00 -1.23 0.00 0.00 66.70 63.50 1ssn h VAL 64 Cb 0.99 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 1ssn h VAL 64 CO 0.10 0.56 -0.35 -0.33 -1.23 0.00 0.00 177.57 176.32 1ssn h GLU 65 N 0.05 0.37 -0.05 5.19 5.08 -1.56 -2.94 114.58 120.73 1ssn h GLU 65 Ca -0.00 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1ssn h GLU 65 Cb 1.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1ssn h GLU 65 CO 0.08 0.67 -0.56 -1.49 -1.00 0.00 0.00 179.01 176.71 1ssn h TRP 66 N 0.32 0.17 0.44 4.33 -0.00 -1.03 -2.59 115.95 117.59 1ssn h TRP 66 Ca 0.04 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 1ssn h TRP 66 Cb 0.76 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 1ssn h TRP 66 CO 0.02 0.67 -0.21 0.00 -0.00 0.00 0.00 178.44 178.92 1ssn h ALA 67 N 1.32 -0.59 0.00 1.49 0.00 -1.29 -1.40 119.26 118.79 1ssn h ALA 67 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ssn h ALA 67 Cb 1.03 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ssn h ALA 67 CO 0.08 -0.73 -0.15 1.37 0.00 0.00 0.00 179.25 179.82 1ssn h LEU 68 N -0.79 0.00 -0.13 0.00 8.10 -1.61 -2.89 115.31 117.97 1ssn h LEU 68 Ca -0.06 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.79 1ssn h LEU 68 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1ssn h LEU 68 CO 0.10 0.15 -0.45 -0.78 -4.11 0.00 0.00 178.44 173.35 1ssn h ASP 69 N 0.00 0.63 -0.45 0.17 1.82 -1.35 -3.00 116.42 114.22 1ssn h ASP 69 Ca -0.00 -0.61 -0.34 0.00 -0.39 0.00 0.00 57.03 55.69 1ssn h ASP 69 Cb 0.32 -0.18 -0.11 0.00 0.68 0.00 0.00 39.33 40.04 1ssn h ASP 69 CO 0.02 1.12 0.09 0.00 -1.61 0.00 0.00 179.24 178.87 1ssn n ALA 70 N -2.53 6.45 0.00 -0.78 0.00 -0.54 -3.48 120.51 119.64 1ssn n ALA 70 Ca -0.07 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 50.95 1ssn n ALA 70 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1ssn n ALA 70 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ssn n THR 71 N 1.86 0.00 -3.15 0.00 5.66 -1.25 -4.99 114.28 112.41 1ssn n THR 71 Ca 0.47 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 1ssn n THR 71 Cb 0.74 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.51 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ssn s ALA 72 N -1.27 -2.33 -0.64 1.79 0.00 -1.13 -4.73 121.76 113.45 1ssn s ALA 72 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1ssn s ALA 72 Cb 0.00 -2.73 0.40 0.00 0.00 0.00 0.00 23.12 20.79 1ssn s ALA 72 CO 0.00 -2.22 1.69 0.98 0.00 0.00 0.00 175.76 176.20 1ssn n TYR 73 N 4.21 3.12 -0.07 0.00 9.36 -1.24 -3.87 117.16 128.68 1ssn n TYR 73 Ca 0.12 -2.66 -0.06 0.00 3.32 0.00 0.00 57.90 58.62 1ssn n TYR 73 Cb 0.57 -0.85 -0.03 0.00 -0.63 0.00 0.00 39.34 38.40 1ssn n TYR 73 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1ssn h LYS 74 N 2.59 0.00 0.00 2.98 3.11 -1.94 -3.48 116.57 119.83 1ssn h LYS 74 Ca 0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.32 1ssn h LYS 74 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1ssn h LYS 74 CO 1.23 0.24 0.00 -0.85 -2.81 0.00 0.00 179.45 177.26 1ssn n GLU 75 N -4.66 2.78 -0.88 1.90 0.28 -1.26 -5.08 120.64 113.71 1ssn n GLU 75 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1ssn n GLU 75 Cb 0.23 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.10 1ssn n GLU 75 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ssn n PHE 76 N 0.00 0.00 -0.06 -1.84 -0.00 -1.23 -4.90 117.46 109.43 1ssn n PHE 76 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 1ssn n PHE 76 Cb 0.00 -1.74 -0.13 0.00 -0.00 0.00 0.00 39.48 37.62 1ssn n PHE 76 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1ssn n ARG 77 N 0.38 0.69 -2.15 -4.13 0.00 -1.11 -4.90 116.66 105.45 1ssn n ARG 77 Ca 0.00 0.26 -0.01 0.00 -0.00 0.00 0.00 57.85 58.10 1ssn n ARG 77 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 32.46 30.82 1ssn n ARG 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ssn n VAL 78 N -3.57 -7.77 0.19 5.15 0.31 -1.26 -5.00 118.33 106.37 1ssn n VAL 78 Ca -0.38 1.16 -0.08 0.00 -0.01 0.00 0.00 64.34 65.03 1ssn n VAL 78 Cb 0.98 -5.50 -0.04 0.00 -0.91 0.00 0.00 33.84 28.37 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 1.82 0.00 -1.75 2.52 2.07 -1.76 -3.47 116.25 115.68 1ssn h VAL 79 Ca -0.08 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1ssn h VAL 79 Cb 0.19 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 29.76 1ssn h VAL 79 CO 0.04 0.00 -0.15 -0.70 0.02 0.00 0.00 177.57 176.78 1ssn s GLU 80 N -3.47 0.57 0.41 1.57 2.56 -1.21 -5.03 118.70 114.09 1ssn s GLU 80 Ca -0.08 1.34 -0.24 0.00 0.00 0.00 0.00 54.97 56.00 1ssn s GLU 80 Cb 0.01 0.80 -0.09 0.00 2.00 0.00 0.00 34.13 36.85 1ssn s GLU 80 CO 0.23 -0.29 1.08 -0.48 -0.56 0.00 0.00 175.26 175.24 1ssn s LEU 81 N 2.88 4.12 -0.15 2.70 0.05 -1.26 -1.91 118.68 125.11 1ssn s LEU 81 Ca -0.00 2.10 -0.29 0.00 0.05 0.00 0.00 54.13 55.99 1ssn s LEU 81 Cb -0.12 -4.18 -0.01 0.00 -2.05 0.00 0.00 46.19 39.82 1ssn s LEU 81 CO -0.19 -0.57 1.07 -1.81 -0.55 0.00 0.00 176.35 174.29 1ssn s ASP 82 N -1.50 7.14 0.28 1.48 1.11 -0.97 -4.94 116.67 119.27 1ssn s ASP 82 Ca 0.59 1.53 0.05 0.00 0.18 0.00 0.00 52.55 54.90 1ssn s ASP 82 Cb -0.24 -2.55 0.40 0.00 1.07 0.00 0.00 42.92 41.61 1ssn s ASP 82 CO 0.29 -0.57 1.67 1.55 1.18 0.00 0.00 175.17 179.30 1ssn h PRO 83 N 7.36 0.29 -5.16 8.23 0.13 -1.95 -3.32 132.00 137.58 1ssn h PRO 83 Ca -0.27 -0.14 -0.68 0.00 -0.87 0.00 0.00 66.00 64.04 1ssn h PRO 83 Cb 1.12 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1ssn h PRO 83 CO 0.91 0.67 2.53 0.43 -0.23 0.00 0.00 178.00 182.30 1ssn n SER 84 N -4.01 4.48 -4.71 1.44 7.64 -1.26 -4.98 113.62 112.22 1ssn n SER 84 Ca -0.02 -2.88 -0.34 0.00 1.01 0.00 0.00 58.87 56.64 1ssn n SER 84 Cb 0.50 -1.71 0.10 0.00 -1.01 0.00 0.00 64.21 62.09 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 4.00 2.03 -0.03 -0.43 0.00 -1.25 -4.92 121.76 121.17 1ssn s ALA 85 Ca 0.52 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1ssn s ALA 85 Cb 0.08 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1ssn s ALA 85 CO 0.02 -2.03 -0.06 -1.59 0.00 0.00 0.00 175.76 172.10 1ssn s LYS 86 N -3.92 0.78 -0.23 0.00 -2.85 -1.26 -3.17 119.74 109.09 1ssn s LYS 86 Ca 0.75 -0.20 0.02 0.00 -1.00 0.00 0.00 55.97 55.54 1ssn s LYS 86 Cb -0.31 -0.76 0.05 0.00 -2.06 0.00 0.00 37.83 34.76 1ssn s LYS 86 CO 0.47 0.04 -0.10 0.42 0.10 0.00 0.00 175.35 176.28 1ssn s ILE 87 N 0.40 1.87 -1.07 3.79 1.09 -0.23 -4.10 121.20 122.94 1ssn s ILE 87 Ca -0.05 -1.33 -0.02 0.00 -1.10 0.00 0.00 60.65 58.14 1ssn s ILE 87 Cb -0.09 -1.99 0.30 0.00 -1.06 0.00 0.00 42.46 39.61 1ssn s ILE 87 CO 0.00 0.04 1.76 -0.62 -0.10 0.00 0.00 174.94 176.02 1ssn n GLU 88 N 4.57 5.05 -1.95 2.79 4.71 -1.02 -1.89 120.64 132.90 1ssn n GLU 88 Ca -0.14 -4.52 -0.37 0.00 -0.01 0.00 0.00 57.16 52.11 1ssn n GLU 88 Cb 0.44 -2.51 -0.03 0.00 -1.01 0.00 0.00 31.44 28.33 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1ssn s VAL 89 N -3.52 3.29 0.43 2.62 0.11 -0.97 -3.84 120.40 118.52 1ssn s VAL 89 Ca 0.38 0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 59.36 1ssn s VAL 89 Cb 0.14 -3.77 -0.11 0.00 -1.53 0.00 0.00 36.38 31.12 1ssn s VAL 89 CO -0.05 -0.75 0.94 -0.89 -3.33 0.00 0.00 175.10 171.02 1ssn s THR 90 N 9.75 4.42 -0.39 5.04 2.01 -0.74 -2.71 115.64 133.03 1ssn s THR 90 Ca 0.73 1.43 0.09 0.00 0.31 0.00 0.00 61.69 64.25 1ssn s THR 90 Cb -0.13 -3.61 0.29 0.00 0.01 0.00 0.00 72.50 69.05 1ssn s THR 90 CO 0.20 -0.35 0.61 0.00 -0.69 0.00 0.00 174.62 174.39 1ssn n TYR 91 N -0.72 0.01 -3.21 4.92 4.11 -0.84 -3.88 117.16 117.54 1ssn n TYR 91 Ca 0.07 -3.67 -0.40 0.00 -0.00 0.00 0.00 57.90 53.90 1ssn n TYR 91 Cb 0.54 -0.38 -0.07 0.00 -0.00 0.00 0.00 39.34 39.43 1ssn n TYR 91 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1ssn s TYR 92 N -1.68 3.31 0.00 -3.48 5.04 -1.26 -4.15 117.35 115.12 1ssn s TYR 92 Ca 0.37 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1ssn s TYR 92 Cb 0.23 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.82 1ssn s TYR 92 CO -0.10 -0.22 0.00 -0.40 -1.34 0.00 0.00 175.55 173.49 1ssn n ASP 93 N 5.29 0.87 -3.09 4.32 5.75 -1.26 -4.47 116.55 123.96 1ssn n ASP 93 Ca -0.04 -0.51 -0.18 0.00 -0.01 0.00 0.00 54.79 54.06 1ssn n ASP 93 Cb 0.50 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.00 0.88 0.04 0.11 4.81 -1.26 -4.09 118.16 118.66 1ssn n LYS 94 Ca 0.00 -2.99 0.00 0.00 -0.87 0.00 0.00 58.31 54.45 1ssn n LYS 94 Cb 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ssn n ASN 95 N 0.74 0.07 0.00 3.14 3.02 -1.26 -4.96 115.26 116.00 1ssn n ASN 95 Ca 0.20 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1ssn n ASN 95 Cb 0.62 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 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 -2.93 0.00 -0.06 3.52 2.85 -1.26 -5.04 118.16 115.24 1ssn n LYS 96 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 1ssn n LYS 96 Cb 0.10 -0.09 -0.01 0.00 -0.65 0.00 0.00 35.03 34.38 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 -1.98 -1.58 1.63 -1.92 -3.51 116.57 109.21 1ssn h LYS 97 Ca 0.00 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.04 1ssn h LYS 97 Cb 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.56 1ssn h LYS 97 CO 0.00 0.05 -0.37 1.63 -3.45 0.00 0.00 179.45 177.31 1ssn n LYS 98 N -4.71 -1.80 -1.78 1.90 5.02 -1.26 -4.80 118.16 110.73 1ssn n LYS 98 Ca -0.03 1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 57.05 1ssn n LYS 98 Cb 0.12 -2.19 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 1ssn n LYS 98 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ssn s GLU 99 N -1.97 3.30 -0.02 1.97 2.12 -1.26 -4.27 118.70 118.57 1ssn s GLU 99 Ca 0.00 1.83 0.02 0.00 0.36 0.00 0.00 54.97 57.19 1ssn s GLU 99 Cb 0.00 -4.28 0.00 0.00 0.26 0.00 0.00 34.13 30.11 1ssn s GLU 99 CO 0.00 -1.90 -0.08 -1.21 -0.54 0.00 0.00 175.26 171.52 1ssn s GLU 100 N 5.89 0.83 -0.36 4.30 2.02 -1.26 -4.98 118.70 125.15 1ssn s GLU 100 Ca 0.91 -0.29 -0.00 0.00 0.02 0.00 0.00 54.97 55.61 1ssn s GLU 100 Cb -0.29 -0.79 0.09 0.00 0.10 0.00 0.00 34.13 33.24 1ssn s GLU 100 CO 0.35 0.13 0.10 0.99 0.02 0.00 0.00 175.26 176.85 1ssn s THR 101 N 0.07 2.85 -0.70 3.63 2.01 -1.26 -1.99 115.64 120.25 1ssn s THR 101 Ca -0.01 -2.02 -0.27 0.00 0.31 0.00 0.00 61.69 59.69 1ssn s THR 101 Cb -0.07 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1ssn s THR 101 CO 0.00 -0.53 1.28 -0.75 -0.69 0.00 0.00 174.62 173.93 1ssn s LYS 102 N 1.08 3.24 -1.28 4.92 2.47 -1.10 -4.93 119.74 124.13 1ssn s LYS 102 Ca 0.06 -0.10 -0.08 0.00 -1.56 0.00 0.00 55.97 54.29 1ssn s LYS 102 Cb -0.21 -4.15 0.16 0.00 -1.46 0.00 0.00 37.83 32.17 1ssn s LYS 102 CO -0.05 -2.07 1.99 0.43 0.16 0.00 0.00 175.35 175.80 1ssn n SER 103 N 9.31 5.90 -4.74 1.43 7.64 -1.26 -2.30 113.62 129.59 1ssn n SER 103 Ca 0.05 -3.14 -0.41 0.00 1.01 0.00 0.00 58.87 56.38 1ssn n SER 103 Cb 0.49 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.22 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 -0.17 3.33 0.00 1.43 5.36 -0.79 -4.88 117.98 122.25 1ssn s PHE 104 Ca 0.43 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1ssn s PHE 104 Cb 0.12 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 1ssn s PHE 104 CO -0.01 -1.60 0.00 -0.35 -1.46 0.00 0.00 175.22 171.79 1ssn n PRO 105 N 2.67 0.00 -3.47 10.12 -0.04 -1.26 -1.07 135.00 141.95 1ssn n PRO 105 Ca 0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1ssn n PRO 105 Cb 0.44 0.00 -0.03 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 0.07 0.52 1.10 -1.19 -3.85 121.20 117.85 1ssn s ILE 106 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 1ssn s ILE 106 Cb 0.00 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.58 1ssn s ILE 106 CO 0.00 0.00 -0.10 0.42 -2.11 0.00 0.00 174.94 173.15 1ssn s THR 107 N -3.12 0.81 0.40 4.00 -4.23 -1.26 -4.96 115.64 107.28 1ssn s THR 107 Ca 0.01 -1.33 0.11 0.00 -1.18 0.00 0.00 61.69 59.30 1ssn s THR 107 Cb -0.01 -0.98 0.32 0.00 1.34 0.00 0.00 72.50 73.17 1ssn s THR 107 CO -0.08 -0.40 1.95 1.05 -0.54 0.00 0.00 174.62 176.59 1ssn h GLU 108 N 4.13 0.55 -2.02 3.99 9.09 -1.99 -2.92 114.58 125.42 1ssn h GLU 108 Ca -0.38 -0.03 -0.54 0.00 0.05 0.00 0.00 59.36 58.46 1ssn h GLU 108 Cb 1.19 -0.12 -0.37 0.00 -1.65 0.00 0.00 28.75 27.80 1ssn h GLU 108 CO 0.45 0.37 -1.01 1.17 0.05 0.00 0.00 179.01 180.03 1ssn n LYS 109 N -4.49 0.50 0.00 1.06 4.81 -1.26 -4.06 118.16 114.72 1ssn n LYS 109 Ca 0.12 -3.09 0.00 0.00 -0.87 0.00 0.00 58.31 54.47 1ssn n LYS 109 Cb 0.36 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.00 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 2.03 1.82 3.83 3.14 0.00 -1.24 -5.10 105.19 109.68 1ssn n GLY 110 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.14 0.16 1.61 -0.12 -1.23 -5.06 117.98 113.20 1ssn s PHE 111 Ca 0.00 -0.30 -0.14 0.00 -0.05 0.00 0.00 56.93 56.44 1ssn s PHE 111 Cb 0.00 0.70 -0.07 0.00 -0.63 0.00 0.00 43.02 43.02 1ssn s PHE 111 CO 0.00 -1.15 0.55 0.08 -0.05 0.00 0.00 175.22 174.65 1ssn s VAL 112 N -3.56 4.86 -0.23 -2.49 1.01 -1.26 -1.12 120.40 117.60 1ssn s VAL 112 Ca 0.12 0.81 -0.35 0.00 0.00 0.00 0.00 61.98 62.56 1ssn s VAL 112 Cb -0.05 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 1ssn s VAL 112 CO 0.06 0.22 2.02 0.52 0.00 0.00 0.00 175.10 177.91 1ssn n VAL 113 N 0.72 0.37 -1.97 2.92 0.31 -0.26 -4.88 118.33 115.53 1ssn n VAL 113 Ca -0.05 -0.19 -0.25 0.00 -0.01 0.00 0.00 64.34 63.84 1ssn n VAL 113 Cb 0.52 -1.76 0.17 0.00 -0.91 0.00 0.00 33.84 31.85 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 7.28 -0.92 -1.09 5.55 -0.04 -1.26 -2.55 135.00 141.98 1ssn n PRO 114 Ca 0.31 -1.95 -0.26 0.00 -0.04 0.00 0.00 63.50 61.57 1ssn n PRO 114 Cb 0.26 -1.08 0.21 0.00 -0.04 0.00 0.00 33.50 32.84 1ssn n PRO 114 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ssn n ASP 115 N -3.59 -1.43 -3.18 3.54 8.00 -1.26 -4.80 116.55 113.82 1ssn n ASP 115 Ca 0.15 -1.16 -0.19 0.00 0.71 0.00 0.00 54.79 54.30 1ssn n ASP 115 Cb 0.52 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 1ssn n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn n LEU 116 N 0.00 0.71 0.00 0.64 -0.00 -1.26 -5.09 117.00 111.99 1ssn n LEU 116 Ca 0.13 -4.95 0.00 0.00 -0.00 0.00 0.00 56.01 51.19 1ssn n LEU 116 Cb 0.50 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.64 1ssn n LEU 116 CO 0.35 2.26 0.00 -0.24 -0.00 0.00 0.00 177.39 179.77 1ssn n SER 117 N 0.41 0.00 0.17 1.45 2.88 -1.26 -4.29 113.62 112.98 1ssn n SER 117 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1ssn n SER 117 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1ssn n SER 117 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ssn n GLU 118 N 0.00 0.00 -0.09 -1.46 0.00 -1.26 -4.99 120.64 112.84 1ssn n GLU 118 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1ssn n GLU 118 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 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 0.26 -3.50 4.31 2.07 -2.05 -3.42 115.15 112.82 1ssn h HIS 119 Ca 0.00 0.01 -0.53 0.00 -2.85 0.00 0.00 60.37 57.01 1ssn h HIS 119 Cb 0.00 -0.07 -0.03 0.00 2.57 0.00 0.00 27.41 29.89 1ssn h HIS 119 CO 0.00 0.13 0.30 -1.50 -3.07 0.00 0.00 177.93 173.79 1ssn s ILE 120 N -6.16 4.65 0.00 6.12 1.10 -1.26 -4.91 121.20 120.73 1ssn s ILE 120 Ca -0.13 1.94 0.08 0.00 -0.51 0.00 0.00 60.65 62.03 1ssn s ILE 120 Cb 0.11 -4.26 0.14 0.00 0.15 0.00 0.00 42.46 38.59 1ssn s ILE 120 CO 0.71 0.30 1.04 2.29 -2.11 0.00 0.00 174.94 177.16 1ssn n LYS 121 N 3.04 0.00 -3.13 3.50 -0.00 -1.26 -4.84 118.16 115.46 1ssn n LYS 121 Ca 0.02 -1.29 -0.17 0.00 -0.00 0.00 0.00 58.31 56.86 1ssn n LYS 121 Cb 0.50 0.32 -0.02 0.00 -0.00 0.00 0.00 35.03 35.83 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 0.16 0.40 0.00 -5.58 0.23 -1.26 -2.95 115.26 106.26 1ssn n ASN 122 Ca -0.16 -3.08 0.00 0.00 -0.53 0.00 0.00 54.58 50.81 1ssn n ASN 122 Cb 0.84 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1ssn n ASN 122 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1ssn n PRO 123 N 0.35 0.00 -0.17 -0.53 -0.04 -1.26 -4.34 135.00 129.02 1ssn n PRO 123 Ca 0.22 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1ssn n PRO 123 Cb 0.66 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 0.53 0.57 3.55 0.55 0.00 -1.22 -4.12 105.19 105.06 1ssn n GLY 124 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.44 2.38 -0.68 1.61 0.40 -1.14 -1.79 117.98 118.33 1ssn s PHE 125 Ca 0.00 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 55.71 1ssn s PHE 125 Cb 0.00 -4.66 0.04 0.00 0.51 0.00 0.00 43.02 38.92 1ssn s PHE 125 CO 0.00 -2.02 1.14 -0.80 0.70 0.00 0.00 175.22 174.24 1ssn s ASN 126 N 4.24 6.21 -0.47 1.36 0.01 -1.25 -1.97 114.94 123.07 1ssn s ASN 126 Ca 0.39 -0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 51.96 1ssn s ASN 126 Cb -0.05 -2.50 0.07 0.00 0.41 0.00 0.00 41.25 39.18 1ssn s ASN 126 CO 0.05 -1.61 2.74 0.18 -1.51 0.00 0.00 177.10 176.95 1ssn n LEU 127 N 8.56 6.51 -4.48 0.60 7.99 -0.66 -2.44 117.00 133.09 1ssn n LEU 127 Ca 0.01 -4.10 -0.43 0.00 -0.01 0.00 0.00 56.01 51.49 1ssn n LEU 127 Cb 0.48 -1.23 -0.09 0.00 -0.11 0.00 0.00 43.42 42.47 1ssn n LEU 127 CO 0.68 1.73 0.11 -0.63 -1.51 0.00 0.00 177.39 177.77 1ssn s ILE 128 N -2.37 5.09 0.00 -0.08 1.09 -1.26 -3.01 121.20 120.67 1ssn s ILE 128 Ca 0.59 -0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.75 1ssn s ILE 128 Cb 0.39 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.74 1ssn s ILE 128 CO -0.23 -0.43 0.00 0.35 -0.10 0.00 0.00 174.94 174.52 1ssn n THR 129 N 5.43 0.00 -3.64 2.92 -2.24 -1.21 -4.56 114.28 110.99 1ssn n THR 129 Ca -0.07 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1ssn n THR 129 Cb 0.47 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 1ssn n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ssn s LYS 130 N 3.08 0.67 -0.02 -0.78 2.20 -1.26 -3.00 119.74 120.63 1ssn s LYS 130 Ca 0.00 1.01 -0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1ssn s LYS 130 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1ssn s LYS 130 CO 0.00 -0.12 0.07 0.14 -0.36 0.00 0.00 175.35 175.09 1ssn s VAL 131 N 1.11 0.03 -0.00 4.02 -7.23 -1.08 -2.28 120.40 114.97 1ssn s VAL 131 Ca -0.06 -0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 59.61 1ssn s VAL 131 Cb -0.05 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 1ssn s VAL 131 CO -0.12 -0.15 0.66 -0.69 -0.31 0.00 0.00 175.10 174.48 1ssn s VAL 132 N -0.46 4.88 0.03 1.32 1.01 -0.80 -1.84 120.40 124.53 1ssn s VAL 132 Ca -0.05 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1ssn s VAL 132 Cb -0.03 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1ssn s VAL 132 CO 0.00 0.38 -0.22 -0.63 0.00 0.00 0.00 175.10 174.63 1ssn s ILE 133 N 0.01 1.76 -0.29 2.22 1.01 -0.50 -2.12 121.20 123.28 1ssn s ILE 133 Ca 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1ssn s ILE 133 Cb -0.19 -1.51 0.09 0.00 0.01 0.00 0.00 42.46 40.86 1ssn s ILE 133 CO 0.19 0.30 0.05 -0.70 0.00 0.00 0.00 174.94 174.79 1ssn s GLU 134 N -1.02 1.02 0.17 2.79 2.12 -1.26 -4.71 118.70 117.81 1ssn s GLU 134 Ca 0.08 -1.16 -0.32 0.00 0.36 0.00 0.00 54.97 53.94 1ssn s GLU 134 Cb -0.09 -2.35 -0.11 0.00 0.26 0.00 0.00 34.13 31.84 1ssn s GLU 134 CO 0.01 -0.87 1.74 -1.59 -0.54 0.00 0.00 175.26 174.01 1ssn s LYS 135 N 1.46 4.14 0.00 4.30 -2.85 -1.26 -2.74 119.74 122.79 1ssn s LYS 135 Ca 0.06 2.57 0.00 0.00 -1.00 0.00 0.00 55.97 57.60 1ssn s LYS 135 Cb -0.18 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.32 1ssn s LYS 135 CO -0.17 -0.77 0.00 1.17 0.10 0.00 0.00 175.35 175.68