#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 -2.08 0.00 4.04 7.64 -1.26 -4.83 113.62 117.12 1ssn n SER 2 Ca 0.00 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1ssn n SER 2 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1ssn n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ssn n SER 3 N -2.91 0.00 -1.46 6.43 2.88 -1.25 -4.65 113.62 112.66 1ssn n SER 3 Ca -0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1ssn n SER 3 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1ssn n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1ssn n PHE 4 N -1.09 -3.15 -2.40 0.66 1.16 -1.26 -4.65 117.46 106.73 1ssn n PHE 4 Ca 0.00 1.88 -0.35 0.00 -1.87 0.00 0.00 57.45 57.10 1ssn n PHE 4 Cb 0.00 -3.06 -0.02 0.00 -1.61 0.00 0.00 39.48 34.79 1ssn n PHE 4 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ssn s ASP 5 N -0.43 6.16 0.06 5.98 1.11 -1.26 -4.83 116.67 123.45 1ssn s ASP 5 Ca 0.00 2.09 0.00 0.00 0.18 0.00 0.00 52.55 54.82 1ssn s ASP 5 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1ssn s ASP 5 CO 0.00 -0.91 0.00 0.29 1.18 0.00 0.00 175.17 175.73 1ssn n LYS 6 N -0.89 -0.35 -3.25 8.23 4.76 -1.26 -4.84 118.16 120.56 1ssn n LYS 6 Ca 0.09 0.28 -0.45 0.00 -2.87 0.00 0.00 58.31 55.36 1ssn n LYS 6 Cb 0.51 -0.38 -0.00 0.00 -1.84 0.00 0.00 35.03 33.32 1ssn n LYS 6 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ssn s GLY 7 N -3.92 3.01 -1.35 0.72 0.00 -1.26 -4.61 107.32 99.91 1ssn s GLY 7 Ca 0.00 -3.70 -0.06 0.00 0.00 0.00 0.00 44.72 40.96 1ssn s GLY 7 CO 0.00 1.49 1.02 1.17 0.00 0.00 0.00 173.10 176.78 1ssn n LYS 8 N 3.47 -6.63 -3.08 2.90 3.00 -1.26 -4.91 118.16 111.64 1ssn n LYS 8 Ca 0.26 0.75 -0.45 0.00 -0.00 0.00 0.00 58.31 58.87 1ssn n LYS 8 Cb 0.41 -5.68 -0.02 0.00 0.00 0.00 0.00 35.03 29.74 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ssn s TYR 9 N -3.38 3.48 -0.51 5.64 5.04 -1.26 -4.84 117.35 121.52 1ssn s TYR 9 Ca 0.36 -1.82 -0.06 0.00 -2.44 0.00 0.00 57.07 53.12 1ssn s TYR 9 Cb -0.17 -4.12 -0.11 0.00 0.35 0.00 0.00 41.96 37.91 1ssn s TYR 9 CO 0.77 -1.28 3.17 0.36 -1.34 0.00 0.00 175.55 177.22 1ssn n LYS 10 N 5.31 2.63 0.00 4.97 2.85 -1.26 -4.39 118.16 128.28 1ssn n LYS 10 Ca 0.23 -1.81 0.00 0.00 -1.05 0.00 0.00 58.31 55.69 1ssn n LYS 10 Cb 0.46 -2.23 0.00 0.00 -0.65 0.00 0.00 35.03 32.62 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ssn n LYS 11 N 2.13 0.00 0.00 -1.58 4.81 -1.26 -3.79 118.16 118.47 1ssn n LYS 11 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1ssn n LYS 11 Cb 0.64 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.69 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 12 N 0.00 0.01 3.73 3.14 0.00 -1.26 -5.14 105.19 105.67 1ssn n GLY 12 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.60 3.43 -2.78 1.61 8.00 -1.25 -4.95 116.55 120.02 1ssn n ASP 13 Ca 0.00 1.17 -0.10 0.00 0.71 0.00 0.00 54.79 56.57 1ssn n ASP 13 Cb 0.00 -1.54 0.08 0.00 -0.02 0.00 0.00 41.12 39.63 1ssn n ASP 13 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ssn n ASP 14 N 1.66 -2.02 -4.47 -2.24 2.03 -1.26 -4.93 116.55 105.31 1ssn n ASP 14 Ca 0.07 -3.63 -0.43 0.00 0.52 0.00 0.00 54.79 51.33 1ssn n ASP 14 Cb 0.36 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 42.43 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssn n ALA 15 N 0.34 3.81 -0.04 -1.67 0.00 -1.26 -4.59 120.51 117.10 1ssn n ALA 15 Ca 0.08 -3.86 -0.07 0.00 0.00 0.00 0.00 53.44 49.59 1ssn n ALA 15 Cb 0.70 -3.59 -0.04 0.00 0.00 0.00 0.00 19.45 16.51 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 8.07 2.77 -4.04 0.00 7.64 -1.26 -4.86 113.62 121.93 1ssn n SER 16 Ca 0.49 -0.01 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 1ssn n SER 16 Cb 0.45 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.42 1ssn n SER 16 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ssn s TYR 17 N -2.17 0.56 -0.23 1.43 2.02 -1.26 -4.85 117.35 112.85 1ssn s TYR 17 Ca -0.12 -0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 55.69 1ssn s TYR 17 Cb 0.03 0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.61 1ssn s TYR 17 CO 0.19 -0.91 0.02 0.34 -1.57 0.00 0.00 175.55 173.62 1ssn n PHE 18 N -0.36 -3.13 -0.74 2.71 7.35 -1.26 -4.94 117.46 117.10 1ssn n PHE 18 Ca -0.01 1.45 0.00 0.00 -0.76 0.00 0.00 57.45 58.13 1ssn n PHE 18 Cb 0.63 -3.43 -0.00 0.00 0.35 0.00 0.00 39.48 37.03 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 0.64 -1.93 -2.30 -4.13 1.02 -1.26 -4.61 120.64 108.07 1ssn n GLU 19 Ca -0.04 1.50 -0.35 0.00 -0.02 0.00 0.00 57.16 58.25 1ssn n GLU 19 Cb 0.06 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.56 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 -4.62 3.16 -0.01 3.49 0.04 -1.26 -4.76 135.00 131.04 1ssn s PRO 20 Ca 0.00 -1.51 -0.24 0.00 0.04 0.00 0.00 61.00 59.29 1ssn s PRO 20 Cb 0.00 -5.37 -0.19 0.00 0.04 0.00 0.00 34.50 28.98 1ssn s PRO 20 CO 0.00 -3.19 1.23 1.79 0.04 0.00 0.00 177.00 176.87 1ssn h THR 21 N 5.95 1.42 0.00 1.26 1.35 -1.82 -3.47 112.91 117.61 1ssn h THR 21 Ca 0.31 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1ssn h THR 21 Cb 0.91 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1ssn h THR 21 CO 1.33 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 177.59 1ssn n GLY 22 N 0.43 -1.71 3.82 5.82 0.00 -1.25 -5.04 105.19 107.26 1ssn n GLY 22 Ca -0.08 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1ssn n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ssn s PRO 23 N -1.87 0.15 0.30 1.61 0.02 -1.26 -4.51 135.00 129.44 1ssn s PRO 23 Ca 0.00 -0.25 -0.11 0.00 0.02 0.00 0.00 61.00 60.66 1ssn s PRO 23 Cb 0.00 -1.77 0.05 0.00 0.02 0.00 0.00 34.50 32.79 1ssn s PRO 23 CO 0.00 -2.77 0.60 2.48 -0.33 0.00 0.00 177.00 176.98 1ssn n TYR 24 N -4.05 -2.04 -3.27 6.54 0.18 -1.26 -4.78 117.16 108.48 1ssn n TYR 24 Ca 0.14 -1.41 -0.06 0.00 1.88 0.00 0.00 57.90 58.45 1ssn n TYR 24 Cb 0.59 0.70 -0.05 0.00 -0.38 0.00 0.00 39.34 40.21 1ssn n TYR 24 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1ssn s LEU 25 N 0.00 -0.95 -0.42 -3.48 0.20 -0.28 -2.07 118.68 111.67 1ssn s LEU 25 Ca 0.12 -0.33 -0.26 0.00 0.69 0.00 0.00 54.13 54.35 1ssn s LEU 25 Cb -0.04 1.30 0.02 0.00 -0.43 0.00 0.00 46.19 47.04 1ssn s LEU 25 CO 0.09 -0.33 0.93 -0.04 -0.29 0.00 0.00 176.35 176.71 1ssn s MET 26 N 2.54 3.67 -0.80 1.98 -1.94 -1.07 -2.01 119.30 121.67 1ssn s MET 26 Ca 0.10 0.35 -0.13 0.00 -1.71 0.00 0.00 55.69 54.30 1ssn s MET 26 Cb -0.12 -3.87 0.21 0.00 2.01 0.00 0.00 34.83 33.06 1ssn s MET 26 CO -0.28 -1.12 0.73 0.08 -0.01 0.00 0.00 175.02 174.42 1ssn s VAL 27 N 3.67 5.44 0.33 -6.03 1.01 -0.59 -1.42 120.40 122.82 1ssn s VAL 27 Ca 0.38 -2.46 -0.01 0.00 0.00 0.00 0.00 61.98 59.89 1ssn s VAL 27 Cb -0.11 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1ssn s VAL 27 CO 0.23 -1.01 0.42 0.20 0.00 0.00 0.00 175.10 174.95 1ssn s ASN 28 N 2.12 1.01 0.01 3.32 -0.87 -0.92 -4.46 114.94 115.15 1ssn s ASN 28 Ca 0.17 -1.52 0.01 0.00 -1.57 0.00 0.00 52.86 49.94 1ssn s ASN 28 Cb -0.12 0.63 -0.01 0.00 -0.02 0.00 0.00 41.25 41.73 1ssn s ASN 28 CO -0.08 -1.23 -0.02 -0.69 -2.57 0.00 0.00 177.10 172.51 1ssn s VAL 29 N -3.21 0.16 -1.13 1.60 1.01 -1.26 -2.43 120.40 115.14 1ssn s VAL 29 Ca 0.33 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1ssn s VAL 29 Cb 0.00 -0.18 0.20 0.00 0.00 0.00 0.00 36.38 36.41 1ssn s VAL 29 CO 0.21 -0.09 1.27 -0.89 0.00 0.00 0.00 175.10 175.60 1ssn s THR 30 N -0.39 5.33 -0.37 3.92 2.01 -0.46 -3.55 115.64 122.14 1ssn s THR 30 Ca -0.03 -2.78 -0.29 0.00 0.31 0.00 0.00 61.69 58.90 1ssn s THR 30 Cb -0.03 -4.78 0.02 0.00 0.01 0.00 0.00 72.50 67.71 1ssn s THR 30 CO -0.00 -1.45 1.17 -0.83 -0.69 0.00 0.00 174.62 172.82 1ssn s GLY 31 N 2.41 1.41 0.34 4.40 0.00 -1.18 -3.51 107.32 111.19 1ssn s GLY 31 Ca 0.37 -0.15 0.10 0.00 0.00 0.00 0.00 44.72 45.04 1ssn s GLY 31 CO -0.04 2.42 -0.09 -1.34 0.00 0.00 0.00 173.10 174.05 1ssn s VAL 32 N 4.16 2.33 0.95 1.40 -7.23 -1.08 -1.47 120.40 119.46 1ssn s VAL 32 Ca 0.50 -2.19 -0.15 0.00 -1.81 0.00 0.00 61.98 58.33 1ssn s VAL 32 Cb -0.12 -2.64 0.17 0.00 0.56 0.00 0.00 36.38 34.36 1ssn s VAL 32 CO 0.23 -0.22 1.21 -1.81 -0.31 0.00 0.00 175.10 174.20 1ssn s ASP 33 N -3.61 3.23 0.27 4.85 1.01 -0.65 -1.35 116.67 120.42 1ssn s ASP 33 Ca 0.33 0.61 -0.01 0.00 0.71 0.00 0.00 52.55 54.19 1ssn s ASP 33 Cb 0.01 -0.93 0.47 0.00 1.01 0.00 0.00 42.92 43.49 1ssn s ASP 33 CO 0.17 -2.69 1.85 -1.28 0.21 0.00 0.00 175.17 173.43 1ssn h SER 34 N -1.60 0.94 0.84 0.27 0.87 -1.91 -2.53 113.55 110.43 1ssn h SER 34 Ca -0.46 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.09 1ssn h SER 34 Cb 1.29 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1ssn h SER 34 CO 0.50 0.55 -0.45 0.50 -0.53 0.00 0.00 176.83 177.40 1ssn h LYS 35 N 1.04 -1.14 0.00 2.24 1.63 -1.93 -3.48 116.57 114.93 1ssn h LYS 35 Ca 0.46 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1ssn h LYS 35 Cb 0.34 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1ssn h LYS 35 CO -0.22 -0.76 0.00 0.41 -3.45 0.00 0.00 179.45 175.42 1ssn n GLY 36 N -1.61 -0.84 3.70 5.01 0.00 -0.95 -5.14 105.19 105.36 1ssn n GLY 36 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 6.97 -0.44 1.61 0.01 -1.26 -4.52 114.94 117.31 1ssn s ASN 37 Ca 0.00 2.06 -0.28 0.00 -0.71 0.00 0.00 52.86 53.93 1ssn s ASN 37 Cb 0.00 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1ssn s ASN 37 CO 0.00 -0.58 1.74 -0.70 -1.51 0.00 0.00 177.10 176.05 1ssn s GLU 38 N 1.58 3.14 0.05 -0.60 2.12 -1.26 -1.64 118.70 122.09 1ssn s GLU 38 Ca 0.61 1.05 -0.21 0.00 0.36 0.00 0.00 54.97 56.77 1ssn s GLU 38 Cb -0.30 -4.23 -0.13 0.00 0.26 0.00 0.00 34.13 29.73 1ssn s GLU 38 CO 0.27 -2.10 1.44 -0.07 -0.54 0.00 0.00 175.26 174.27 1ssn h LEU 39 N 14.31 0.30 -7.90 2.70 3.38 -1.58 -3.47 115.31 123.06 1ssn h LEU 39 Ca -0.30 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.17 1ssn h LEU 39 Cb 1.15 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 1ssn h LEU 39 CO 1.11 0.59 -0.56 -1.48 0.09 0.00 0.00 178.44 178.19 1ssn s LEU 40 N -9.39 1.87 0.13 1.67 0.05 -1.15 -3.90 118.68 107.96 1ssn s LEU 40 Ca -0.14 -0.47 0.05 0.00 0.05 0.00 0.00 54.13 53.62 1ssn s LEU 40 Cb 0.06 0.49 -0.04 0.00 -2.05 0.00 0.00 46.19 44.65 1ssn s LEU 40 CO 0.73 -0.43 0.04 -0.44 -0.55 0.00 0.00 176.35 175.70 1ssn s SER 41 N -1.83 5.16 1.02 1.48 0.01 -1.26 -3.09 113.70 115.20 1ssn s SER 41 Ca -0.09 -0.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 1ssn s SER 41 Cb -0.04 -1.26 0.08 0.00 0.21 0.00 0.00 66.02 65.01 1ssn s SER 41 CO -0.02 0.13 0.39 -0.81 0.41 0.00 0.00 173.24 173.33 1ssn n PRO 42 N 0.17 -0.80 -1.97 12.44 -0.04 -1.23 -4.84 135.00 138.73 1ssn n PRO 42 Ca -0.10 -0.60 -0.01 0.00 -0.04 0.00 0.00 63.50 62.75 1ssn n PRO 42 Cb 0.53 -0.45 0.01 0.00 -0.04 0.00 0.00 33.50 33.55 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 -2.78 -0.82 -1.42 0.54 8.25 -1.26 -4.99 115.22 112.74 1ssn n HIS 43 Ca 0.05 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1ssn n HIS 43 Cb 0.18 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 28.80 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 -1.48 0.00 -3.75 4.41 0.18 -1.26 -4.09 117.16 111.17 1ssn n TYR 44 Ca -0.01 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.52 1ssn n TYR 44 Cb 0.51 0.03 -0.17 0.00 -0.38 0.00 0.00 39.34 39.33 1ssn n TYR 44 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1ssn s VAL 45 N 0.00 0.41 -0.00 -3.48 1.01 -1.26 -4.37 120.40 112.70 1ssn s VAL 45 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1ssn s VAL 45 Cb 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1ssn s VAL 45 CO 0.00 0.06 0.11 -0.70 0.00 0.00 0.00 175.10 174.57 1ssn s GLU 46 N 1.94 0.42 0.02 2.72 2.12 -1.26 -1.54 118.70 123.11 1ssn s GLU 46 Ca 0.03 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1ssn s GLU 46 Cb -0.14 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.40 1ssn s GLU 46 CO -0.06 -0.09 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.47 1ssn s PHE 47 N -1.23 0.27 0.24 5.30 0.08 -0.85 -4.76 117.98 117.02 1ssn s PHE 47 Ca -0.13 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.16 1ssn s PHE 47 Cb -0.07 -0.19 -0.09 0.00 -0.57 0.00 0.00 43.02 42.10 1ssn s PHE 47 CO 0.01 -0.16 1.32 -1.25 -0.10 0.00 0.00 175.22 175.04 1ssn s PRO 48 N -1.27 4.38 0.44 0.24 0.04 -1.26 -1.13 135.00 136.43 1ssn s PRO 48 Ca -0.13 2.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1ssn s PRO 48 Cb -0.09 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 1ssn s PRO 48 CO -0.01 -0.24 1.26 -1.50 0.04 0.00 0.00 177.00 176.55 1ssn s ILE 49 N -0.22 2.73 -0.39 0.56 2.07 -1.26 -4.88 121.20 119.81 1ssn s ILE 49 Ca 0.55 0.60 0.01 0.00 -1.41 0.00 0.00 60.65 60.41 1ssn s ILE 49 Cb -0.38 -3.33 0.15 0.00 0.13 0.00 0.00 42.46 39.03 1ssn s ILE 49 CO 0.42 0.05 0.25 -0.54 -1.91 0.00 0.00 174.94 173.21 1ssn s LYS 50 N -2.46 0.79 0.57 3.50 1.02 -1.26 -5.08 119.74 116.81 1ssn s LYS 50 Ca 0.61 -1.66 -0.15 0.00 0.02 0.00 0.00 55.97 54.78 1ssn s LYS 50 Cb -0.35 -1.53 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1ssn s LYS 50 CO 0.44 -1.25 1.02 -1.25 -0.92 0.00 0.00 175.35 173.39 1ssn s PRO 51 N 0.66 3.61 0.00 -1.68 0.04 -1.26 -4.51 135.00 131.86 1ssn s PRO 51 Ca 0.22 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ssn s PRO 51 Cb -0.16 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1ssn s PRO 51 CO -0.05 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1ssn n GLY 52 N -1.51 2.07 3.78 0.56 0.00 -1.17 -5.03 105.19 103.89 1ssn n GLY 52 Ca 0.07 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.14 3.33 0.41 2.61 -1.32 -1.26 -4.68 115.64 114.59 1ssn s THR 53 Ca 0.00 0.61 -0.24 0.00 -1.21 0.00 0.00 61.69 60.85 1ssn s THR 53 Cb 0.00 -3.13 -0.08 0.00 -1.51 0.00 0.00 72.50 67.77 1ssn s THR 53 CO 0.00 -0.39 1.11 -0.89 -2.21 0.00 0.00 174.62 172.24 1ssn s THR 54 N -2.38 3.41 -0.58 5.08 2.01 -1.26 -2.38 115.64 119.53 1ssn s THR 54 Ca 0.66 1.10 0.05 0.00 0.31 0.00 0.00 61.69 63.82 1ssn s THR 54 Cb -0.20 -3.58 0.20 0.00 0.01 0.00 0.00 72.50 68.93 1ssn s THR 54 CO 0.42 0.03 0.51 -0.11 -0.69 0.00 0.00 174.62 174.78 1ssn n LEU 55 N -0.11 1.96 -4.74 4.42 -0.00 -0.37 -4.91 117.00 113.25 1ssn n LEU 55 Ca 0.05 -4.99 -0.26 0.00 -0.00 0.00 0.00 56.01 50.81 1ssn n LEU 55 Cb 0.48 -0.24 -0.07 0.00 -0.00 0.00 0.00 43.42 43.58 1ssn n LEU 55 CO 0.47 1.88 -0.17 0.28 -0.00 0.00 0.00 177.39 179.86 1ssn s THR 56 N -1.27 2.14 0.20 1.96 -1.32 -1.26 -3.62 115.64 112.47 1ssn s THR 56 Ca 0.31 -1.74 -0.11 0.00 -1.21 0.00 0.00 61.69 58.94 1ssn s THR 56 Cb 0.04 -2.88 0.12 0.00 -1.51 0.00 0.00 72.50 68.28 1ssn s THR 56 CO -0.14 0.00 1.79 0.50 -2.21 0.00 0.00 174.62 174.57 1ssn h LYS 57 N 1.42 0.58 0.00 7.08 3.11 -1.54 -2.02 116.57 125.19 1ssn h LYS 57 Ca -0.43 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.32 1ssn h LYS 57 Cb 1.26 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 1ssn h LYS 57 CO 0.71 0.38 -0.30 1.05 -2.81 0.00 0.00 179.45 178.48 1ssn h GLU 58 N 0.59 0.00 0.00 1.90 -0.00 -1.93 -0.49 114.58 114.65 1ssn h GLU 58 Ca 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.55 1ssn h GLU 58 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 1ssn h GLU 58 CO -0.19 0.30 -0.39 0.87 -0.00 0.00 0.00 179.01 179.61 1ssn h LYS 59 N 0.00 0.00 0.00 1.06 1.79 -1.73 -3.32 116.57 114.37 1ssn h LYS 59 Ca -0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.25 1ssn h LYS 59 Cb 0.62 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1ssn h LYS 59 CO 0.04 0.39 -1.23 -0.89 -1.08 0.00 0.00 179.45 176.67 1ssn n ILE 60 N -3.44 1.52 -0.34 1.86 2.08 -0.92 -4.06 119.36 116.07 1ssn n ILE 60 Ca 0.00 -0.01 0.03 0.00 0.56 0.00 0.00 62.75 63.33 1ssn n ILE 60 Cb 0.55 -2.08 0.17 0.00 -0.75 0.00 0.00 39.64 37.53 1ssn n ILE 60 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1ssn h GLU 61 N -1.00 0.98 0.00 0.38 4.11 -1.24 -1.15 114.58 116.66 1ssn h GLU 61 Ca -0.32 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 58.87 1ssn h GLU 61 Cb 1.21 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1ssn h GLU 61 CO -0.19 0.65 -0.83 0.10 0.07 0.00 0.00 179.01 178.80 1ssn h TYR 62 N 1.01 0.04 0.01 2.06 -0.00 -1.80 -2.68 116.97 115.60 1ssn h TYR 62 Ca 0.42 -0.02 -0.21 0.00 -0.00 0.00 0.00 58.73 58.92 1ssn h TYR 62 Cb 0.26 -0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.01 1ssn h TYR 62 CO -0.02 0.84 -0.84 -0.92 -0.00 0.00 0.00 178.16 177.22 1ssn h TYR 63 N 0.01 0.82 0.00 0.10 3.20 -1.45 -2.05 116.97 117.61 1ssn h TYR 63 Ca -0.01 -0.46 -0.05 0.00 3.14 0.00 0.00 58.73 61.35 1ssn h TYR 63 Cb 1.46 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 1ssn h TYR 63 CO 0.00 1.29 -0.23 -0.39 -1.64 0.00 0.00 178.16 177.19 1ssn h VAL 64 N 0.13 0.54 -0.20 1.81 -1.51 -1.36 -2.60 116.25 113.06 1ssn h VAL 64 Ca -0.11 -1.18 -0.12 0.00 -1.23 0.00 0.00 66.70 64.07 1ssn h VAL 64 Cb 1.52 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.49 1ssn h VAL 64 CO 0.16 0.23 -0.38 -0.08 -1.23 0.00 0.00 177.57 176.27 1ssn h GLU 65 N 0.00 0.43 0.00 5.19 4.81 -1.37 -2.62 114.58 121.02 1ssn h GLU 65 Ca -0.00 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1ssn h GLU 65 Cb 0.79 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1ssn h GLU 65 CO 0.03 0.75 -0.23 -1.49 -0.73 0.00 0.00 179.01 177.34 1ssn h TRP 66 N 0.36 0.00 -0.31 0.92 -0.00 -1.00 -1.58 115.95 114.34 1ssn h TRP 66 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.77 1ssn h TRP 66 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.98 1ssn h TRP 66 CO 0.03 0.23 -0.45 0.00 -0.00 0.00 0.00 178.44 178.24 1ssn h ALA 67 N 1.77 0.62 -0.38 1.49 0.00 -1.21 -3.15 119.26 118.40 1ssn h ALA 67 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1ssn h ALA 67 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ssn h ALA 67 CO 0.03 0.68 0.17 -0.07 0.00 0.00 0.00 179.25 180.06 1ssn h LEU 68 N 0.64 0.51-10.17 0.00 3.38 -1.12 -3.39 115.31 105.17 1ssn h LEU 68 Ca 0.04 -0.14 -0.53 0.00 0.09 0.00 0.00 57.88 57.34 1ssn h LEU 68 Cb 1.03 -0.13 0.14 0.00 0.09 0.00 0.00 40.66 41.78 1ssn h LEU 68 CO 0.10 0.51 0.40 -1.81 0.09 0.00 0.00 178.44 177.74 1ssn s ASP 69 N -5.78 4.59 0.00 -0.43 1.01 -0.63 -1.04 116.67 114.40 1ssn s ASP 69 Ca -0.13 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.41 1ssn s ASP 69 Cb 0.10 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1ssn s ASP 69 CO 0.74 -1.99 0.00 0.00 0.21 0.00 0.00 175.17 174.13 1ssn n ALA 70 N -2.44 0.00 -1.58 5.23 0.00 -1.26 -4.75 120.51 115.71 1ssn n ALA 70 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ssn n ALA 70 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -3.09 0.00 -2.24 -1.10 -4.92 114.28 102.92 1ssn n THR 71 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 1ssn n THR 71 Cb 0.00 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 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 -4.00 3.49 0.00 6.98 0.00 -0.20 -4.50 121.76 123.53 1ssn s ALA 72 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 51.96 49.47 1ssn s ALA 72 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1ssn s ALA 72 CO 0.00 -2.49 0.10 2.48 0.00 0.00 0.00 175.76 175.85 1ssn n TYR 73 N 6.08 0.00 0.11 0.00 4.11 -1.25 -4.37 117.16 121.84 1ssn n TYR 73 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.86 1ssn n TYR 73 Cb 0.45 0.08 -0.03 0.00 -0.00 0.00 0.00 39.34 39.84 1ssn n TYR 73 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1ssn h LYS 74 N 0.00 -0.35 0.00 -3.48 1.57 -1.94 -3.39 116.57 108.98 1ssn h LYS 74 Ca 0.00 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1ssn h LYS 74 Cb 0.84 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1ssn h LYS 74 CO 0.00 -0.24 -1.83 -0.85 -0.57 0.00 0.00 179.45 175.96 1ssn n GLU 75 N -4.87 0.69 -2.25 3.15 0.28 -1.26 -4.85 120.64 111.54 1ssn n GLU 75 Ca -0.05 -0.13 -0.41 0.00 -0.16 0.00 0.00 57.16 56.41 1ssn n GLU 75 Cb 0.14 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.58 1ssn n GLU 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1ssn s PHE 76 N -3.02 3.29 -0.23 -1.84 5.36 -1.26 -2.78 117.98 117.50 1ssn s PHE 76 Ca -0.07 1.23 -0.05 0.00 -0.96 0.00 0.00 56.93 57.09 1ssn s PHE 76 Cb 0.10 -3.58 0.12 0.00 -0.34 0.00 0.00 43.02 39.32 1ssn s PHE 76 CO 0.69 -1.80 0.42 0.50 -1.46 0.00 0.00 175.22 173.57 1ssn s ARG 77 N 0.06 0.36 -0.17 10.12 3.52 -1.20 -4.45 118.95 127.18 1ssn s ARG 77 Ca 0.57 0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 56.68 1ssn s ARG 77 Cb -0.36 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 32.97 1ssn s ARG 77 CO 0.37 -0.46 1.56 0.08 -0.81 0.00 0.00 175.30 176.03 1ssn s VAL 78 N 2.60 3.78 -0.15 7.11 1.01 -1.26 -2.31 120.40 131.19 1ssn s VAL 78 Ca 0.07 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 62.76 1ssn s VAL 78 Cb -0.14 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.30 1ssn s VAL 78 CO -0.15 -0.21 0.46 1.62 0.00 0.00 0.00 175.10 176.83 1ssn h VAL 79 N 5.86 1.09 -4.00 2.92 3.04 -1.74 -3.48 116.25 119.95 1ssn h VAL 79 Ca -0.34 -2.31 -0.23 0.00 -1.01 0.00 0.00 66.70 62.81 1ssn h VAL 79 Cb 1.15 2.64 -0.15 0.00 -2.01 0.00 0.00 31.29 32.92 1ssn h VAL 79 CO 0.98 0.56 -0.67 -1.61 -1.01 0.00 0.00 177.57 175.83 1ssn s GLU 80 N -2.40 0.95 0.05 4.17 2.02 -1.18 -5.05 118.70 117.26 1ssn s GLU 80 Ca -0.23 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 53.34 1ssn s GLU 80 Cb 0.04 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.17 1ssn s GLU 80 CO 0.69 -0.14 -0.06 -0.48 0.02 0.00 0.00 175.26 175.29 1ssn s LEU 81 N -3.08 2.33 -0.11 1.80 0.05 -1.26 -1.37 118.68 117.04 1ssn s LEU 81 Ca 0.19 -0.68 -0.26 0.00 0.05 0.00 0.00 54.13 53.43 1ssn s LEU 81 Cb 0.06 -0.06 -0.02 0.00 -2.05 0.00 0.00 46.19 44.12 1ssn s LEU 81 CO -0.00 -0.31 0.85 -1.81 -0.55 0.00 0.00 176.35 174.52 1ssn s ASP 82 N -2.00 7.07 0.28 1.48 1.11 -1.10 -4.96 116.67 118.56 1ssn s ASP 82 Ca -0.05 1.30 0.09 0.00 0.18 0.00 0.00 52.55 54.08 1ssn s ASP 82 Cb -0.05 -2.48 0.40 0.00 1.07 0.00 0.00 42.92 41.86 1ssn s ASP 82 CO -0.02 -0.32 1.64 1.55 1.18 0.00 0.00 175.17 179.20 1ssn h PRO 83 N 7.08 0.07 -4.00 8.23 0.13 -2.01 -3.36 132.00 138.14 1ssn h PRO 83 Ca -0.34 -0.04 -0.74 0.00 -0.87 0.00 0.00 66.00 64.01 1ssn h PRO 83 Cb 1.16 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1ssn h PRO 83 CO 0.81 0.61 2.11 0.45 -0.23 0.00 0.00 178.00 181.75 1ssn n SER 84 N -3.88 4.89 -4.69 1.44 2.88 -1.26 -4.93 113.62 108.07 1ssn n SER 84 Ca -0.02 -3.02 -0.29 0.00 -1.33 0.00 0.00 58.87 54.21 1ssn n SER 84 Cb 0.57 -1.55 0.17 0.00 -0.75 0.00 0.00 64.21 62.65 1ssn n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssn s ALA 85 N 1.38 1.09 0.03 -1.46 0.00 -1.26 -4.93 121.76 116.61 1ssn s ALA 85 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1ssn s ALA 85 Cb 0.08 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1ssn s ALA 85 CO -0.01 -2.73 -0.04 -1.59 0.00 0.00 0.00 175.76 171.39 1ssn s LYS 86 N -4.97 0.44 -0.51 0.00 -2.85 -1.26 -2.45 119.74 108.14 1ssn s LYS 86 Ca 0.65 -0.81 0.03 0.00 -1.00 0.00 0.00 55.97 54.84 1ssn s LYS 86 Cb -0.18 0.05 0.14 0.00 -2.06 0.00 0.00 37.83 35.78 1ssn s LYS 86 CO 0.57 -0.05 0.30 0.42 0.10 0.00 0.00 175.35 176.69 1ssn s ILE 87 N -2.13 1.93 -0.86 3.79 1.09 -0.12 -4.30 121.20 120.60 1ssn s ILE 87 Ca -0.08 -3.09 -0.21 0.00 -1.10 0.00 0.00 60.65 56.17 1ssn s ILE 87 Cb -0.05 -2.33 0.09 0.00 -1.06 0.00 0.00 42.46 39.11 1ssn s ILE 87 CO -0.03 -0.91 1.17 -1.61 -0.10 0.00 0.00 174.94 173.45 1ssn s GLU 88 N -0.17 3.42 -1.09 2.79 2.02 -1.09 -2.19 118.70 122.40 1ssn s GLU 88 Ca 0.20 -1.22 -0.22 0.00 0.02 0.00 0.00 54.97 53.74 1ssn s GLU 88 Cb -0.19 -4.75 -0.02 0.00 0.10 0.00 0.00 34.13 29.26 1ssn s GLU 88 CO -0.04 -1.92 1.81 0.14 0.02 0.00 0.00 175.26 175.27 1ssn s VAL 89 N 3.86 3.69 -1.24 2.63 -7.23 -1.11 -2.21 120.40 118.79 1ssn s VAL 89 Ca 0.33 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.45 1ssn s VAL 89 Cb -0.07 -4.60 0.15 0.00 0.56 0.00 0.00 36.38 32.41 1ssn s VAL 89 CO -0.02 -1.35 1.56 0.41 -0.31 0.00 0.00 175.10 175.39 1ssn n THR 90 N 7.40 4.19 -2.54 5.32 -1.04 -0.62 -3.58 114.28 123.41 1ssn n THR 90 Ca 0.42 -4.54 -0.25 0.00 -2.04 0.00 0.00 64.05 57.63 1ssn n THR 90 Cb 0.47 -2.44 0.03 0.00 -1.82 0.00 0.00 70.33 66.58 1ssn n THR 90 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ssn s TYR 91 N 1.94 3.21 0.00 -1.42 -0.85 -1.08 -4.62 117.35 114.52 1ssn s TYR 91 Ca 0.45 0.50 0.07 0.00 -0.52 0.00 0.00 57.07 57.56 1ssn s TYR 91 Cb 0.00 -2.66 0.11 0.00 0.38 0.00 0.00 41.96 39.79 1ssn s TYR 91 CO 0.01 -0.75 1.00 2.48 -1.52 0.00 0.00 175.55 176.78 1ssn n TYR 92 N -2.47 0.00 -1.67 -3.49 4.11 -1.25 -2.60 117.16 109.79 1ssn n TYR 92 Ca 0.04 -0.44 -0.47 0.00 -0.00 0.00 0.00 57.90 57.02 1ssn n TYR 92 Cb 0.58 0.29 -0.04 0.00 -0.00 0.00 0.00 39.34 40.17 1ssn n TYR 92 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1ssn n ASP 93 N 0.13 3.20 -3.52 9.48 5.75 -1.26 -4.68 116.55 125.66 1ssn n ASP 93 Ca -0.16 1.03 -0.40 0.00 -0.01 0.00 0.00 54.79 55.25 1ssn n ASP 93 Cb 0.80 -1.39 -0.01 0.00 -1.03 0.00 0.00 41.12 39.49 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 4.85 3.92 0.16 0.11 3.00 -1.26 -2.92 118.16 126.02 1ssn n LYS 94 Ca 0.20 -2.96 0.00 0.00 -0.00 0.00 0.00 58.31 55.55 1ssn n LYS 94 Cb 0.29 -2.82 0.00 0.00 0.00 0.00 0.00 35.03 32.50 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 3.24 -1.01 0.13 3.14 3.02 -1.26 -4.97 115.26 117.56 1ssn n ASN 95 Ca 0.63 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1ssn n ASN 95 Cb 0.28 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 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 -3.42 0.00 0.11 3.52 2.85 -1.26 -5.01 118.16 114.95 1ssn n LYS 96 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 1ssn n LYS 96 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 1ssn n LYS 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ssn h LYS 97 N 0.00 0.44 0.00 -1.58 1.57 -1.88 -3.50 116.57 111.62 1ssn h LYS 97 Ca 0.00 -0.76 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 1ssn h LYS 97 Cb 0.00 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ssn h LYS 97 CO 0.00 1.36 0.00 1.17 -0.57 0.00 0.00 179.45 181.41 1ssn n LYS 98 N -3.89 0.00 -2.42 3.15 4.81 -1.15 -4.80 118.16 113.86 1ssn n LYS 98 Ca -0.16 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.85 1ssn n LYS 98 Cb 0.99 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 36.02 1ssn n LYS 98 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ssn s GLU 99 N 0.00 3.97 -0.16 1.64 2.12 -1.26 -3.75 118.70 121.26 1ssn s GLU 99 Ca 0.00 1.33 -0.04 0.00 0.36 0.00 0.00 54.97 56.62 1ssn s GLU 99 Cb 0.00 -3.86 0.08 0.00 0.26 0.00 0.00 34.13 30.61 1ssn s GLU 99 CO 0.00 -1.05 0.19 -1.21 -0.54 0.00 0.00 175.26 172.65 1ssn s GLU 100 N 4.05 0.13 -1.24 4.30 2.02 -1.07 -5.01 118.70 121.88 1ssn s GLU 100 Ca 0.56 0.30 -0.19 0.00 0.02 0.00 0.00 54.97 55.66 1ssn s GLU 100 Cb -0.18 -0.96 0.06 0.00 0.10 0.00 0.00 34.13 33.15 1ssn s GLU 100 CO 0.21 -0.54 1.70 0.99 0.02 0.00 0.00 175.26 177.64 1ssn s THR 101 N 2.30 4.05 -1.06 3.63 2.01 -1.26 -3.48 115.64 121.83 1ssn s THR 101 Ca 0.05 -1.65 -0.18 0.00 0.31 0.00 0.00 61.69 60.22 1ssn s THR 101 Cb -0.15 -5.14 0.12 0.00 0.01 0.00 0.00 72.50 67.35 1ssn s THR 101 CO -0.10 -1.96 1.34 -0.75 -0.69 0.00 0.00 174.62 172.46 1ssn s LYS 102 N 4.49 3.77 -1.16 4.92 2.47 -1.23 -4.94 119.74 128.06 1ssn s LYS 102 Ca 0.53 -1.89 -0.21 0.00 -1.56 0.00 0.00 55.97 52.84 1ssn s LYS 102 Cb 0.03 -5.11 0.02 0.00 -1.46 0.00 0.00 37.83 31.32 1ssn s LYS 102 CO 0.05 -1.91 1.71 -1.54 0.16 0.00 0.00 175.35 173.83 1ssn s SER 103 N 3.73 6.24 -0.08 1.43 1.04 -1.26 -2.75 113.70 122.05 1ssn s SER 103 Ca 0.40 -1.83 -0.26 0.00 0.48 0.00 0.00 55.95 54.74 1ssn s SER 103 Cb -0.02 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1ssn s SER 103 CO -0.05 -1.78 0.85 0.12 0.98 0.00 0.00 173.24 173.36 1ssn s PHE 104 N 6.28 3.55 0.72 5.02 5.36 -0.93 -4.87 117.98 133.12 1ssn s PHE 104 Ca 0.56 1.41 -0.11 0.00 -0.96 0.00 0.00 56.93 57.83 1ssn s PHE 104 Cb 0.01 -3.00 0.02 0.00 -0.34 0.00 0.00 43.02 39.72 1ssn s PHE 104 CO 0.03 -0.07 1.09 -1.25 -1.46 0.00 0.00 175.22 173.55 1ssn s PRO 105 N 1.39 2.72 0.71 10.12 0.04 -1.26 -0.95 135.00 147.77 1ssn s PRO 105 Ca 0.43 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1ssn s PRO 105 Cb -0.18 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1ssn s PRO 105 CO 0.19 -1.17 1.09 -1.50 0.04 0.00 0.00 177.00 175.65 1ssn s ILE 106 N -3.24 3.58 0.30 0.56 1.10 -1.03 -4.82 121.20 117.65 1ssn s ILE 106 Ca 0.59 0.51 0.07 0.00 -0.51 0.00 0.00 60.65 61.31 1ssn s ILE 106 Cb -0.12 -3.45 -0.06 0.00 0.15 0.00 0.00 42.46 38.98 1ssn s ILE 106 CO 0.53 -0.67 -0.06 0.42 -2.11 0.00 0.00 174.94 173.05 1ssn s THR 107 N -3.29 1.77 -0.13 4.00 -4.23 -1.26 -4.96 115.64 107.54 1ssn s THR 107 Ca 0.58 -2.13 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 1ssn s THR 107 Cb -0.12 -2.53 -0.23 0.00 1.34 0.00 0.00 72.50 70.96 1ssn s THR 107 CO 0.53 -0.25 0.41 -1.84 -0.54 0.00 0.00 174.62 172.93 1ssn n GLU 108 N -0.65 0.66 0.24 3.99 0.00 -1.26 -1.42 120.64 122.20 1ssn n GLU 108 Ca -0.05 0.11 -0.10 0.00 0.00 0.00 0.00 57.16 57.11 1ssn n GLU 108 Cb 0.64 -1.65 -0.05 0.00 0.00 0.00 0.00 31.44 30.38 1ssn n GLU 108 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1ssn h LYS 109 N 0.00 -0.64 0.00 3.44 1.57 -1.97 -3.44 116.57 115.52 1ssn h LYS 109 Ca -0.36 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1ssn h LYS 109 Cb 1.96 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.42 1ssn h LYS 109 CO 0.04 -0.43 0.00 0.41 -0.57 0.00 0.00 179.45 178.91 1ssn n GLY 110 N 0.06 1.76 3.74 3.86 0.00 -1.26 -4.88 105.19 108.48 1ssn n GLY 110 Ca -0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 3.78 0.20 1.61 -0.71 -1.24 -4.63 117.98 116.99 1ssn s PHE 111 Ca 0.00 1.77 -0.30 0.00 -1.04 0.00 0.00 56.93 57.36 1ssn s PHE 111 Cb 0.00 -3.12 -0.08 0.00 -1.21 0.00 0.00 43.02 38.61 1ssn s PHE 111 CO 0.00 -0.02 1.10 0.08 -1.34 0.00 0.00 175.22 175.04 1ssn s VAL 112 N -0.51 3.79 -0.07 -2.49 1.01 -1.26 -1.24 120.40 119.63 1ssn s VAL 112 Ca 0.46 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 1ssn s VAL 112 Cb -0.27 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1ssn s VAL 112 CO 0.33 0.30 1.79 -0.69 0.00 0.00 0.00 175.10 176.83 1ssn s VAL 113 N -0.43 3.39 0.57 2.92 1.01 -1.00 -4.94 120.40 121.91 1ssn s VAL 113 Ca 0.48 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1ssn s VAL 113 Cb -0.30 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1ssn s VAL 113 CO 0.36 -0.08 0.91 -2.16 0.00 0.00 0.00 175.10 174.13 1ssn s PRO 114 N 4.48 3.27 0.70 2.72 0.04 -1.26 -3.04 135.00 141.92 1ssn s PRO 114 Ca 0.80 0.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 1ssn s PRO 114 Cb -0.35 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.00 1ssn s PRO 114 CO 0.33 -0.54 1.04 0.16 0.04 0.00 0.00 177.00 178.03 1ssn s ASP 115 N -4.22 5.01 -0.26 6.66 -4.77 -1.26 -4.93 116.67 112.91 1ssn s ASP 115 Ca 0.52 0.68 -0.16 0.00 -3.30 0.00 0.00 52.55 50.30 1ssn s ASP 115 Cb -0.11 -1.39 0.07 0.00 -1.09 0.00 0.00 42.92 40.41 1ssn s ASP 115 CO 0.48 -1.51 0.64 -1.48 0.70 0.00 0.00 175.17 174.00 1ssn s LEU 116 N -5.28 -0.77 -0.46 2.11 2.34 -1.26 -5.09 118.68 110.28 1ssn s LEU 116 Ca 0.59 1.40 0.04 0.00 0.06 0.00 0.00 54.13 56.22 1ssn s LEU 116 Cb -0.11 2.21 0.25 0.00 -0.56 0.00 0.00 46.19 47.98 1ssn s LEU 116 CO 0.47 -0.23 0.96 -0.24 -1.06 0.00 0.00 176.35 176.25 1ssn n SER 117 N 4.15 -2.60 0.15 1.48 2.88 -1.26 -4.86 113.62 113.57 1ssn n SER 117 Ca -0.20 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 1ssn n SER 117 Cb 0.58 1.63 0.00 0.00 -0.75 0.00 0.00 64.21 65.67 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 1.61 0.00 -0.07 -1.46 0.00 -1.26 -5.01 120.64 114.45 1ssn n GLU 118 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.02 1ssn n GLU 118 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.96 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 0.14 -4.08 4.31 2.07 -2.03 -3.50 115.15 112.07 1ssn h HIS 119 Ca 0.00 -0.10 -0.30 0.00 -2.85 0.00 0.00 60.37 57.12 1ssn h HIS 119 Cb 0.00 -0.01 -0.15 0.00 2.57 0.00 0.00 27.41 29.83 1ssn h HIS 119 CO 0.00 1.55 -0.62 0.96 -3.07 0.00 0.00 177.93 176.75 1ssn s ILE 120 N -2.41 0.36 -0.24 6.12 -4.36 -1.26 -4.80 121.20 114.60 1ssn s ILE 120 Ca -0.26 -1.99 0.21 0.00 -0.26 0.00 0.00 60.65 58.34 1ssn s ILE 120 Cb 0.06 -2.50 0.47 0.00 1.25 0.00 0.00 42.46 41.74 1ssn s ILE 120 CO 0.65 -0.08 1.19 1.17 0.24 0.00 0.00 174.94 178.11 1ssn n LYS 121 N -0.35 1.46 -2.69 0.37 4.81 -1.26 -4.33 118.16 116.17 1ssn n LYS 121 Ca -0.00 -2.90 -0.06 0.00 -0.87 0.00 0.00 58.31 54.49 1ssn n LYS 121 Cb 0.66 -1.04 0.10 0.00 0.02 0.00 0.00 35.03 34.76 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1ssn n ASN 122 N -0.65 -1.66 0.31 3.14 6.94 -1.26 -3.88 115.26 118.20 1ssn n ASN 122 Ca 0.02 -2.54 -0.16 0.00 -0.02 0.00 0.00 54.58 51.88 1ssn n ASN 122 Cb 0.85 1.41 -0.08 0.00 -2.36 0.00 0.00 39.78 39.60 1ssn n ASN 122 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1ssn h PRO 123 N 2.36 -0.76 -4.01 -0.53 0.13 -1.90 -3.37 132.00 123.93 1ssn h PRO 123 Ca -0.26 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ssn h PRO 123 Cb 1.18 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ssn h PRO 123 CO 0.02 -0.46 -0.06 0.41 -0.23 0.00 0.00 178.00 177.68 1ssn n GLY 124 N -0.91 -0.78 3.55 1.56 0.00 -1.26 -1.58 105.19 105.77 1ssn n GLY 124 Ca -0.12 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.62 1.64 -0.77 1.61 0.40 -0.88 -2.77 117.98 114.59 1ssn s PHE 125 Ca 0.03 0.83 -0.22 0.00 -0.60 0.00 0.00 56.93 56.97 1ssn s PHE 125 Cb -0.01 -4.04 0.08 0.00 0.51 0.00 0.00 43.02 39.57 1ssn s PHE 125 CO 0.33 -2.20 1.07 -0.80 0.70 0.00 0.00 175.22 174.32 1ssn s ASN 126 N 8.41 6.33 -1.36 1.36 0.01 -0.94 -2.59 114.94 126.16 1ssn s ASN 126 Ca 0.70 -1.31 -0.07 0.00 -0.71 0.00 0.00 52.86 51.46 1ssn s ASN 126 Cb -0.12 -2.43 0.10 0.00 0.41 0.00 0.00 41.25 39.21 1ssn s ASN 126 CO 0.16 -1.36 2.33 0.18 -1.51 0.00 0.00 177.10 176.91 1ssn n LEU 127 N 7.55 7.76 -4.43 0.60 7.99 -0.51 -2.68 117.00 133.29 1ssn n LEU 127 Ca 0.08 -4.73 -0.44 0.00 -0.01 0.00 0.00 56.01 50.91 1ssn n LEU 127 Cb 0.47 -1.43 -0.06 0.00 -0.11 0.00 0.00 43.42 42.29 1ssn n LEU 127 CO 0.61 1.86 0.33 -0.63 -1.51 0.00 0.00 177.39 178.04 1ssn s ILE 128 N -0.16 4.89 0.00 -0.08 1.09 -1.26 -2.16 121.20 123.53 1ssn s ILE 128 Ca 0.52 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 1ssn s ILE 128 Cb 0.16 -4.33 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1ssn s ILE 128 CO -0.06 -0.86 0.00 0.35 -0.10 0.00 0.00 174.94 174.27 1ssn n THR 129 N 5.57 0.00 -3.66 2.92 -2.24 -1.02 -4.60 114.28 111.27 1ssn n THR 129 Ca -0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1ssn n THR 129 Cb 0.45 -1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 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 1.31 0.49 0.12 -0.78 2.36 -1.26 -1.35 119.74 120.61 1ssn s LYS 130 Ca 0.00 1.23 0.04 0.00 -2.55 0.00 0.00 55.97 54.69 1ssn s LYS 130 Cb 0.00 0.54 -0.04 0.00 -1.05 0.00 0.00 37.83 37.28 1ssn s LYS 130 CO 0.00 -0.21 -0.10 0.14 1.55 0.00 0.00 175.35 176.73 1ssn s VAL 131 N 2.56 1.04 0.03 4.02 -7.23 -1.23 -2.70 120.40 116.88 1ssn s VAL 131 Ca -0.05 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 1ssn s VAL 131 Cb -0.11 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 1ssn s VAL 131 CO -0.16 -0.62 0.33 -0.69 -0.31 0.00 0.00 175.10 173.64 1ssn s VAL 132 N -2.76 5.20 0.03 1.32 1.01 -0.47 -2.62 120.40 122.11 1ssn s VAL 132 Ca 0.10 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1ssn s VAL 132 Cb -0.01 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1ssn s VAL 132 CO 0.00 0.38 -0.13 -0.63 0.00 0.00 0.00 175.10 174.72 1ssn s ILE 133 N -1.29 1.02 0.20 2.22 1.09 -0.46 -2.09 121.20 121.89 1ssn s ILE 133 Ca 0.28 -0.91 0.09 0.00 -1.10 0.00 0.00 60.65 59.02 1ssn s ILE 133 Cb -0.14 -0.92 -0.04 0.00 -1.06 0.00 0.00 42.46 40.29 1ssn s ILE 133 CO 0.16 0.02 -0.18 -1.83 -0.10 0.00 0.00 174.94 173.00 1ssn s GLU 134 N -1.02 1.39 -0.16 2.79 4.04 -0.98 -3.19 118.70 121.58 1ssn s GLU 134 Ca 0.01 -1.54 -0.20 0.00 0.04 0.00 0.00 54.97 53.29 1ssn s GLU 134 Cb -0.07 -1.42 -0.03 0.00 0.02 0.00 0.00 34.13 32.62 1ssn s GLU 134 CO 0.01 0.28 0.57 0.21 -1.84 0.00 0.00 175.26 174.49 1ssn s LYS 135 N -3.12 4.26 0.00 -4.83 2.20 -1.26 -3.26 119.74 113.72 1ssn s LYS 135 Ca 0.21 0.55 0.08 0.00 -0.36 0.00 0.00 55.97 56.45 1ssn s LYS 135 Cb -0.05 -3.52 0.48 0.00 -1.51 0.00 0.00 37.83 33.23 1ssn s LYS 135 CO 0.09 -0.08 0.93 0.36 -0.36 0.00 0.00 175.35 176.29