#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 0.00 0.00 6.43 3.41 -1.24 -4.80 113.62 117.42 1ssn n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ssn n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ssn n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ssn n SER 3 N 1.66 0.00 -3.44 4.04 7.64 -1.26 -3.52 113.62 118.75 1ssn n SER 3 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1ssn n SER 3 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1ssn n SER 3 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ssn n PHE 4 N 0.00 -2.24 -0.19 1.43 3.72 -1.26 -3.74 117.46 115.18 1ssn n PHE 4 Ca 0.00 0.69 -0.00 0.00 -0.05 0.00 0.00 57.45 58.09 1ssn n PHE 4 Cb 0.00 -3.82 0.09 0.00 -0.94 0.00 0.00 39.48 34.82 1ssn n PHE 4 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1ssn h ASP 5 N -1.38 -0.09 -2.37 4.37 3.58 -1.88 -3.37 116.42 115.28 1ssn h ASP 5 Ca -0.62 0.12 -0.56 0.00 0.42 0.00 0.00 57.03 56.39 1ssn h ASP 5 Cb 1.32 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.53 1ssn h ASP 5 CO 0.45 -0.03 1.35 -0.54 -2.88 0.00 0.00 179.24 177.60 1ssn s LYS 6 N -6.13 3.10 -1.18 0.28 3.01 -1.26 -4.90 119.74 112.66 1ssn s LYS 6 Ca -0.13 1.41 -0.17 0.00 -1.01 0.00 0.00 55.97 56.07 1ssn s LYS 6 Cb 0.17 -4.28 0.12 0.00 -1.01 0.00 0.00 37.83 32.83 1ssn s LYS 6 CO 0.73 -2.14 1.50 0.20 0.51 0.00 0.00 175.35 176.15 1ssn s GLY 7 N 7.23 1.98 -1.07 -3.33 0.00 -1.26 -4.36 107.32 106.52 1ssn s GLY 7 Ca 0.83 -3.03 -0.11 0.00 0.00 0.00 0.00 44.72 42.41 1ssn s GLY 7 CO 0.31 2.33 0.87 0.28 0.00 0.00 0.00 173.10 176.90 1ssn n LYS 8 N 6.98 -1.88 -0.03 2.90 5.02 -1.26 -4.99 118.16 124.89 1ssn n LYS 8 Ca 0.39 0.75 -0.01 0.00 -2.02 0.00 0.00 58.31 57.42 1ssn n LYS 8 Cb 0.45 -5.26 -0.00 0.00 -0.02 0.00 0.00 35.03 30.20 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ssn h TYR 9 N -1.30 0.00 -3.18 2.13 3.20 -1.74 -3.48 116.97 112.60 1ssn h TYR 9 Ca -0.61 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.13 1ssn h TYR 9 Cb 1.32 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 1ssn h TYR 9 CO 0.31 0.00 -0.14 0.36 -1.64 0.00 0.00 178.16 177.05 1ssn n LYS 10 N -3.63 -1.94 0.00 1.82 0.00 -0.47 -4.31 118.16 109.63 1ssn n LYS 10 Ca -0.01 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1ssn n LYS 10 Cb 0.04 -4.69 0.00 0.00 -0.00 0.00 0.00 35.03 30.39 1ssn n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ssn n LYS 11 N -2.09 0.00 0.00 -1.58 5.02 -1.26 -4.40 118.16 113.84 1ssn n LYS 11 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1ssn n LYS 11 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ssn n GLY 12 N 0.00 -0.81 3.47 0.72 0.00 -1.26 -5.05 105.19 102.27 1ssn n GLY 12 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 1ssn n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssn n ASP 13 N 0.00 -5.75 -3.88 1.61 -0.08 -1.26 -3.11 116.55 104.08 1ssn n ASP 13 Ca 0.00 -0.50 -0.36 0.00 -1.51 0.00 0.00 54.79 52.42 1ssn n ASP 13 Cb 0.00 -4.59 0.02 0.00 2.34 0.00 0.00 41.12 38.89 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ssn n ASP 14 N -2.77 -4.72 -2.20 1.67 8.00 -1.26 -4.37 116.55 110.90 1ssn n ASP 14 Ca -0.02 -1.10 -0.09 0.00 0.71 0.00 0.00 54.79 54.28 1ssn n ASP 14 Cb 0.57 -2.13 -0.02 0.00 -0.02 0.00 0.00 41.12 39.52 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 -4.07 -0.07 -2.48 2.24 0.00 -1.18 -2.69 120.51 112.26 1ssn n ALA 15 Ca -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.23 1ssn n ALA 15 Cb 0.60 0.80 0.01 0.00 0.00 0.00 0.00 19.45 20.86 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 -1.92 -6.28 -3.36 0.00 7.64 -1.26 -4.38 113.62 104.06 1ssn n SER 16 Ca 0.01 0.35 -0.14 0.00 1.01 0.00 0.00 58.87 60.10 1ssn n SER 16 Cb 0.35 -4.16 0.03 0.00 -1.01 0.00 0.00 64.21 59.41 1ssn n SER 16 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ssn n TYR 17 N -0.45 -2.48 -2.54 1.43 4.01 -1.26 -4.97 117.16 110.89 1ssn n TYR 17 Ca 0.08 0.87 0.00 0.00 -0.16 0.00 0.00 57.90 58.69 1ssn n TYR 17 Cb 0.34 -3.75 0.03 0.00 -0.31 0.00 0.00 39.34 35.65 1ssn n TYR 17 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ssn n PHE 18 N -2.77 0.13 -1.23 -0.72 7.35 -1.26 -5.14 117.46 113.82 1ssn n PHE 18 Ca -0.09 -1.15 0.15 0.00 -0.76 0.00 0.00 57.45 55.60 1ssn n PHE 18 Cb 0.58 0.15 -0.08 0.00 0.35 0.00 0.00 39.48 40.48 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 -0.18 -2.79 -1.84 -4.13 1.02 -1.26 -4.51 120.64 106.96 1ssn n GLU 19 Ca -0.02 2.23 -0.28 0.00 -0.02 0.00 0.00 57.16 59.07 1ssn n GLU 19 Cb 0.93 -3.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.03 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 -3.81 2.26 0.00 3.49 0.04 -1.26 -4.40 135.00 131.31 1ssn s PRO 20 Ca 0.00 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1ssn s PRO 20 Cb 0.00 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1ssn s PRO 20 CO 0.00 -3.45 0.00 0.25 0.04 0.00 0.00 177.00 173.84 1ssn n THR 21 N 7.95 0.00 -3.59 1.26 -2.24 -1.20 -4.75 114.28 111.71 1ssn n THR 21 Ca 0.36 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.85 1ssn n THR 21 Cb 0.49 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 1ssn n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ssn s GLY 22 N -4.35 1.44 0.72 3.38 0.00 -1.09 -5.04 107.32 102.39 1ssn s GLY 22 Ca 0.00 -2.46 -0.16 0.00 0.00 0.00 0.00 44.72 42.10 1ssn s GLY 22 CO 0.00 1.79 0.57 -1.05 0.00 0.00 0.00 173.10 174.40 1ssn n PRO 23 N 3.40 0.30 -4.10 2.90 -0.02 -1.26 -4.49 135.00 131.73 1ssn n PRO 23 Ca 0.15 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1ssn n PRO 23 Cb 0.38 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1ssn n PRO 23 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ssn s TYR 24 N -1.91 0.92 -0.35 6.00 -0.85 -1.26 -4.61 117.35 115.28 1ssn s TYR 24 Ca 0.66 -1.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.08 1ssn s TYR 24 Cb -0.35 -0.17 0.16 0.00 0.38 0.00 0.00 41.96 41.98 1ssn s TYR 24 CO 0.57 -0.94 0.42 -1.17 -1.52 0.00 0.00 175.55 172.92 1ssn s LEU 25 N -3.16 -0.51 0.29 -3.49 0.20 -0.13 -2.50 118.68 109.38 1ssn s LEU 25 Ca 0.31 -1.09 -0.28 0.00 0.69 0.00 0.00 54.13 53.76 1ssn s LEU 25 Cb 0.02 0.94 -0.09 0.00 -0.43 0.00 0.00 46.19 46.62 1ssn s LEU 25 CO 0.15 -0.28 0.98 -0.04 -0.29 0.00 0.00 176.35 176.87 1ssn s MET 26 N 1.84 4.67 -0.34 1.98 -1.94 -0.56 -1.70 119.30 123.26 1ssn s MET 26 Ca 0.14 1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 55.60 1ssn s MET 26 Cb -0.13 -3.04 0.12 0.00 2.01 0.00 0.00 34.83 33.79 1ssn s MET 26 CO -0.13 0.33 0.17 0.08 -0.01 0.00 0.00 175.02 175.46 1ssn s VAL 27 N -1.37 0.49 0.29 -6.03 1.01 -1.04 -1.90 120.40 111.86 1ssn s VAL 27 Ca 0.46 -1.54 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 1ssn s VAL 27 Cb -0.24 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1ssn s VAL 27 CO 0.30 -0.83 0.43 0.20 0.00 0.00 0.00 175.10 175.21 1ssn s ASN 28 N 1.34 0.48 0.05 3.32 -0.87 -1.07 -4.66 114.94 113.54 1ssn s ASN 28 Ca 0.14 -1.29 0.00 0.00 -1.57 0.00 0.00 52.86 50.14 1ssn s ASN 28 Cb -0.20 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.64 1ssn s ASN 28 CO -0.15 -1.19 0.03 1.33 -2.57 0.00 0.00 177.10 174.55 1ssn n VAL 29 N -0.47 0.00 -4.01 1.60 0.24 -1.26 -3.71 118.33 110.72 1ssn n VAL 29 Ca 0.00 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.34 61.76 1ssn n VAL 29 Cb 0.62 -0.30 -0.15 0.00 -1.47 0.00 0.00 33.84 32.54 1ssn n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ssn s THR 30 N -0.55 2.10 -1.14 3.34 2.01 -0.88 -4.64 115.64 115.87 1ssn s THR 30 Ca 0.02 -2.01 -0.20 0.00 0.31 0.00 0.00 61.69 59.82 1ssn s THR 30 Cb -0.00 -2.44 0.08 0.00 0.01 0.00 0.00 72.50 70.14 1ssn s THR 30 CO 0.01 -0.41 1.53 -0.83 -0.69 0.00 0.00 174.62 174.24 1ssn s GLY 31 N 1.04 1.58 0.45 4.40 0.00 -1.26 -2.18 107.32 111.35 1ssn s GLY 31 Ca 0.04 -2.67 0.08 0.00 0.00 0.00 0.00 44.72 42.17 1ssn s GLY 31 CO -0.08 2.58 0.56 -1.34 0.00 0.00 0.00 173.10 174.82 1ssn s VAL 32 N 4.15 2.68 0.04 1.40 -7.23 -1.13 -1.76 120.40 118.55 1ssn s VAL 32 Ca 0.48 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 59.28 1ssn s VAL 32 Cb 0.01 -2.79 -0.17 0.00 0.56 0.00 0.00 36.38 33.99 1ssn s VAL 32 CO -0.02 0.00 1.47 -2.24 -0.31 0.00 0.00 175.10 174.00 1ssn h ASP 33 N 0.65 -0.25 0.00 4.85 2.03 -1.67 -3.01 116.42 119.02 1ssn h ASP 33 Ca -0.38 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1ssn h ASP 33 Cb 1.28 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1ssn h ASP 33 CO 0.48 -0.01 0.00 -1.20 -1.03 0.00 0.00 179.24 177.48 1ssn n SER 34 N -5.13 -0.15 0.17 4.15 7.64 -1.26 -4.46 113.62 114.57 1ssn n SER 34 Ca -0.09 0.32 -0.08 0.00 1.01 0.00 0.00 58.87 60.03 1ssn n SER 34 Cb 0.20 0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 1ssn n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ssn h LYS 35 N 0.00 -0.48 0.00 1.43 1.79 -1.98 -3.48 116.57 113.85 1ssn h LYS 35 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1ssn h LYS 35 Cb 0.00 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1ssn h LYS 35 CO 0.00 -0.32 0.00 0.41 -1.08 0.00 0.00 179.45 178.46 1ssn n GLY 36 N 0.37 0.00 3.61 3.86 0.00 -1.26 -5.11 105.19 106.65 1ssn n GLY 36 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 5.79 -0.11 1.61 0.01 -1.26 -4.83 114.94 116.14 1ssn s ASN 37 Ca 0.00 1.67 -0.30 0.00 -0.71 0.00 0.00 52.86 53.52 1ssn s ASN 37 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 1ssn s ASN 37 CO 0.00 -1.73 1.17 -0.70 -1.51 0.00 0.00 177.10 174.32 1ssn s GLU 38 N 5.78 4.33 -0.05 -0.60 2.12 -1.26 -1.90 118.70 127.12 1ssn s GLU 38 Ca 0.88 1.59 -0.01 0.00 0.36 0.00 0.00 54.97 57.79 1ssn s GLU 38 Cb -0.28 -3.61 -0.00 0.00 0.26 0.00 0.00 34.13 30.49 1ssn s GLU 38 CO 0.34 -0.50 -0.02 -0.07 -0.54 0.00 0.00 175.26 174.46 1ssn h LEU 39 N 8.65 0.00 -9.50 2.70 4.07 -1.67 -3.48 115.31 116.08 1ssn h LEU 39 Ca -0.30 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.02 1ssn h LEU 39 Cb 1.13 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.79 1ssn h LEU 39 CO 0.91 0.27 -0.43 -0.76 -1.08 0.00 0.00 178.44 177.36 1ssn s LEU 40 N -6.22 4.33 -0.63 1.67 1.43 -1.17 -5.06 118.68 113.04 1ssn s LEU 40 Ca -0.02 0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 1ssn s LEU 40 Cb 0.00 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 44.09 1ssn s LEU 40 CO 0.03 0.30 1.05 -0.44 0.23 0.00 0.00 176.35 177.51 1ssn s SER 41 N -0.47 6.25 0.36 2.29 0.01 -1.25 -4.31 113.70 116.58 1ssn s SER 41 Ca 0.14 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1ssn s SER 41 Cb -0.12 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1ssn s SER 41 CO 0.04 -1.46 0.00 -0.81 0.41 0.00 0.00 173.24 171.41 1ssn n PRO 42 N 8.06 0.95 -2.04 12.44 -0.05 -1.26 -4.59 135.00 148.51 1ssn n PRO 42 Ca 0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.42 1ssn n PRO 42 Cb 0.47 0.00 0.02 0.00 -0.05 0.00 0.00 33.50 33.94 1ssn n PRO 42 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1ssn n HIS 43 N -0.90 -0.60 -0.44 0.54 8.25 -1.26 -4.30 115.22 116.51 1ssn n HIS 43 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1ssn n HIS 43 Cb 0.00 -2.87 0.00 0.00 1.12 0.00 0.00 29.99 28.24 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 -1.90 0.00 -4.42 4.41 0.18 -1.26 -4.24 117.16 109.93 1ssn n TYR 44 Ca -0.03 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.55 1ssn n TYR 44 Cb 0.53 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.35 1ssn n TYR 44 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1ssn s VAL 45 N -0.05 1.06 0.35 -3.48 0.11 -1.26 -1.37 120.40 115.76 1ssn s VAL 45 Ca 0.00 -0.84 -0.10 0.00 -2.93 0.00 0.00 61.98 58.11 1ssn s VAL 45 Cb 0.00 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1ssn s VAL 45 CO 0.00 0.10 0.62 -1.83 -3.33 0.00 0.00 175.10 170.66 1ssn s GLU 46 N -0.85 2.00 0.05 1.54 4.04 -1.26 -2.50 118.70 121.73 1ssn s GLU 46 Ca 0.03 -1.52 0.01 0.00 0.04 0.00 0.00 54.97 53.53 1ssn s GLU 46 Cb -0.07 0.53 -0.03 0.00 0.02 0.00 0.00 34.13 34.59 1ssn s GLU 46 CO 0.01 -0.88 -0.06 -0.06 -1.84 0.00 0.00 175.26 172.42 1ssn s PHE 47 N -2.91 0.62 -0.11 4.83 0.08 -0.69 -4.98 117.98 114.82 1ssn s PHE 47 Ca 0.22 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.57 1ssn s PHE 47 Cb -0.03 -0.39 0.12 0.00 -0.57 0.00 0.00 43.02 42.15 1ssn s PHE 47 CO 0.14 -0.17 1.58 -0.35 -0.10 0.00 0.00 175.22 176.33 1ssn n PRO 48 N 0.89 1.30 -1.44 0.24 -0.04 -1.26 -0.96 135.00 133.73 1ssn n PRO 48 Ca -0.19 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1ssn n PRO 48 Cb 0.57 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1ssn n PRO 48 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ssn n ILE 49 N 0.56 -2.21 -3.65 0.52 3.06 -1.26 -4.75 119.36 111.63 1ssn n ILE 49 Ca 0.13 1.10 -0.04 0.00 -2.50 0.00 0.00 62.75 61.43 1ssn n ILE 49 Cb 0.64 -1.81 -0.06 0.00 0.54 0.00 0.00 39.64 38.95 1ssn n ILE 49 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1ssn s LYS 50 N -4.98 0.56 0.98 9.51 -2.85 -1.26 -5.06 119.74 116.65 1ssn s LYS 50 Ca 0.00 1.29 -0.16 0.00 -1.00 0.00 0.00 55.97 56.09 1ssn s LYS 50 Cb 0.00 0.54 0.22 0.00 -2.06 0.00 0.00 37.83 36.52 1ssn s LYS 50 CO 0.00 -0.19 1.34 -1.25 0.10 0.00 0.00 175.35 175.35 1ssn s PRO 51 N 2.42 0.46 0.00 1.78 0.04 -1.26 -4.38 135.00 134.05 1ssn s PRO 51 Ca -0.07 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1ssn s PRO 51 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ssn s PRO 51 CO -0.18 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 174.75 1ssn n GLY 52 N -3.82 2.67 3.76 0.56 0.00 -0.86 -5.00 105.19 102.50 1ssn n GLY 52 Ca 0.16 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1ssn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssn s THR 53 N -1.49 2.43 0.39 2.61 -1.32 -1.26 -4.72 115.64 112.28 1ssn s THR 53 Ca 0.00 0.35 -0.25 0.00 -1.21 0.00 0.00 61.69 60.58 1ssn s THR 53 Cb 0.00 -3.19 -0.09 0.00 -1.51 0.00 0.00 72.50 67.71 1ssn s THR 53 CO 0.00 0.02 1.09 -0.89 -2.21 0.00 0.00 174.62 172.63 1ssn s THR 54 N -1.33 3.53 -0.27 5.08 2.01 -1.26 -2.13 115.64 121.28 1ssn s THR 54 Ca 0.64 1.22 -0.01 0.00 0.31 0.00 0.00 61.69 63.86 1ssn s THR 54 Cb -0.38 -3.66 0.08 0.00 0.01 0.00 0.00 72.50 68.56 1ssn s THR 54 CO 0.47 0.06 0.05 -0.22 -0.69 0.00 0.00 174.62 174.28 1ssn s LEU 55 N -2.54 2.20 0.05 4.42 1.98 -0.31 -4.90 118.68 119.59 1ssn s LEU 55 Ca 0.57 -1.38 -0.05 0.00 -2.89 0.00 0.00 54.13 50.38 1ssn s LEU 55 Cb -0.25 -0.91 -0.02 0.00 0.66 0.00 0.00 46.19 45.67 1ssn s LEU 55 CO 0.32 -0.35 0.08 0.28 -1.89 0.00 0.00 176.35 174.79 1ssn s THR 56 N 1.59 0.16 0.11 3.68 -1.32 -1.26 -2.15 115.64 116.45 1ssn s THR 56 Ca 0.04 -1.31 -0.31 0.00 -1.21 0.00 0.00 61.69 58.90 1ssn s THR 56 Cb -0.18 -1.18 -0.11 0.00 -1.51 0.00 0.00 72.50 69.53 1ssn s THR 56 CO -0.16 -0.72 1.59 0.50 -2.21 0.00 0.00 174.62 173.62 1ssn h LYS 57 N 3.29 -0.66 -0.12 7.08 3.11 -1.68 -2.49 116.57 125.09 1ssn h LYS 57 Ca -0.33 0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.59 1ssn h LYS 57 Cb 1.18 0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1ssn h LYS 57 CO 0.56 -0.44 0.09 1.05 -2.81 0.00 0.00 179.45 177.90 1ssn h GLU 58 N -0.69 0.00 -0.04 1.90 -0.00 -1.87 -2.28 114.58 111.60 1ssn h GLU 58 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.34 1ssn h GLU 58 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.44 1ssn h GLU 58 CO -0.21 0.00 -0.11 -0.22 -0.00 0.00 0.00 179.01 178.48 1ssn h LYS 59 N 0.00 0.14 -0.95 1.06 3.64 -1.88 -3.30 116.57 115.29 1ssn h LYS 59 Ca 0.06 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1ssn h LYS 59 Cb 0.23 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1ssn h LYS 59 CO -0.00 0.71 0.61 0.82 -2.27 0.00 0.00 179.45 179.32 1ssn h ILE 60 N -0.40 1.00 -0.29 2.00 1.08 -1.00 -2.60 117.51 117.31 1ssn h ILE 60 Ca -0.00 -0.35 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1ssn h ILE 60 Cb 0.71 -0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.29 1ssn h ILE 60 CO 0.02 0.18 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.87 1ssn h GLU 61 N 1.01 -0.41 0.00 2.37 5.08 -1.58 -1.85 114.58 119.19 1ssn h GLU 61 Ca 0.44 0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.63 1ssn h GLU 61 Cb 0.33 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1ssn h GLU 61 CO -0.19 -0.28 -0.91 0.10 -1.00 0.00 0.00 179.01 176.73 1ssn h TYR 62 N -0.43 0.00 -0.31 4.33 -0.00 -1.72 -3.26 116.97 115.58 1ssn h TYR 62 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.80 1ssn h TYR 62 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.33 1ssn h TYR 62 CO -0.60 0.91 0.10 -0.92 -0.00 0.00 0.00 178.16 177.65 1ssn h TYR 63 N 0.00 0.49 -0.08 0.10 3.20 -1.05 -1.99 116.97 117.64 1ssn h TYR 63 Ca -0.01 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 1ssn h TYR 63 Cb 1.64 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1ssn h TYR 63 CO 0.00 0.51 -0.41 -0.39 -1.64 0.00 0.00 178.16 176.22 1ssn h VAL 64 N 0.34 1.31 -0.55 1.81 -1.51 -1.49 -2.10 116.25 114.06 1ssn h VAL 64 Ca 0.10 -1.50 -0.05 0.00 -1.23 0.00 0.00 66.70 64.02 1ssn h VAL 64 Cb 0.24 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 1ssn h VAL 64 CO -0.00 0.44 0.15 -0.08 -1.23 0.00 0.00 177.57 176.85 1ssn h GLU 65 N 0.15 0.83 -0.04 5.19 4.81 -1.52 -1.15 114.58 122.84 1ssn h GLU 65 Ca 0.01 -0.16 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 1ssn h GLU 65 Cb 0.80 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1ssn h GLU 65 CO 0.06 0.73 -0.85 -1.49 -0.73 0.00 0.00 179.01 176.73 1ssn h TRP 66 N 0.80 0.65 -0.21 0.92 -0.00 -1.18 -2.90 115.95 114.04 1ssn h TRP 66 Ca 0.18 -0.32 -0.03 0.00 -0.00 0.00 0.00 58.89 58.72 1ssn h TRP 66 Cb 0.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.33 1ssn h TRP 66 CO 0.02 1.12 0.03 0.00 -0.00 0.00 0.00 178.44 179.61 1ssn h ALA 67 N 0.78 0.28 0.00 1.49 0.00 -1.05 -2.97 119.26 117.79 1ssn h ALA 67 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ssn h ALA 67 Cb 1.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ssn h ALA 67 CO 0.15 -0.05 0.00 1.37 0.00 0.00 0.00 179.25 180.72 1ssn h LEU 68 N 0.14 0.00 -1.64 0.00 8.10 -1.31 -3.24 115.31 117.36 1ssn h LEU 68 Ca 0.06 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.11 1ssn h LEU 68 Cb 0.32 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.51 1ssn h LEU 68 CO 0.00 0.00 0.33 -0.78 -4.11 0.00 0.00 178.44 173.88 1ssn h ASP 69 N 0.00 0.39 -0.94 0.17 3.58 -1.33 -1.26 116.42 117.03 1ssn h ASP 69 Ca 0.00 -0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.68 1ssn h ASP 69 Cb 0.53 -0.08 -0.17 0.00 1.72 0.00 0.00 39.33 41.32 1ssn h ASP 69 CO 0.00 0.26 -0.05 0.00 -2.88 0.00 0.00 179.24 176.57 1ssn h ALA 70 N 1.73 0.96 0.00 -0.78 0.00 -1.71 -3.05 119.26 116.41 1ssn h ALA 70 Ca 0.21 0.33 -0.34 0.00 0.00 0.00 0.00 54.91 55.11 1ssn h ALA 70 Cb 0.27 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1ssn h ALA 70 CO -0.05 -0.49 -2.00 0.25 0.00 0.00 0.00 179.25 176.96 1ssn n THR 71 N -5.49 1.52 -3.43 0.00 -2.24 -1.07 -4.82 114.28 98.75 1ssn n THR 71 Ca 0.19 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1ssn n THR 71 Cb 0.63 -1.99 -0.02 0.00 -2.10 0.00 0.00 70.33 66.85 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssn s ALA 72 N -2.53 4.47 -0.12 6.98 0.00 -0.50 -1.41 121.76 128.66 1ssn s ALA 72 Ca -0.34 -3.74 0.04 0.00 0.00 0.00 0.00 51.96 47.91 1ssn s ALA 72 Cb 0.11 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 1ssn s ALA 72 CO 0.50 -2.20 -0.06 2.48 0.00 0.00 0.00 175.76 176.48 1ssn n TYR 73 N 2.83 0.00 0.00 0.00 4.11 -1.18 -4.17 117.16 118.75 1ssn n TYR 73 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.11 1ssn n TYR 73 Cb 0.40 -0.50 0.00 0.00 -0.00 0.00 0.00 39.34 39.24 1ssn n TYR 73 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1ssn n LYS 74 N -2.71 0.00 -2.46 -3.48 4.81 -1.26 -4.71 118.16 108.35 1ssn n LYS 74 Ca -0.21 0.21 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1ssn n LYS 74 Cb 0.78 -0.65 0.01 0.00 0.02 0.00 0.00 35.03 35.19 1ssn n LYS 74 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 75 N -1.79 4.92 -3.69 1.64 2.13 -1.26 -4.85 120.64 117.74 1ssn n GLU 75 Ca 0.00 -4.19 -0.13 0.00 0.66 0.00 0.00 57.16 53.50 1ssn n GLU 75 Cb 0.00 -2.56 -0.07 0.00 0.27 0.00 0.00 31.44 29.08 1ssn n GLU 75 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ssn s PHE 76 N -2.77 -0.26 -0.29 4.31 -0.71 -1.26 -4.14 117.98 112.86 1ssn s PHE 76 Ca 0.43 0.29 0.01 0.00 -1.04 0.00 0.00 56.93 56.62 1ssn s PHE 76 Cb 0.16 0.19 0.18 0.00 -1.21 0.00 0.00 43.02 42.34 1ssn s PHE 76 CO -0.08 -0.52 0.55 0.50 -1.34 0.00 0.00 175.22 174.34 1ssn s ARG 77 N -2.05 0.53 -0.74 1.99 3.52 -0.94 -4.87 118.95 116.39 1ssn s ARG 77 Ca -0.08 0.73 -0.26 0.00 -0.13 0.00 0.00 55.73 55.99 1ssn s ARG 77 Cb -0.02 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1ssn s ARG 77 CO 0.00 -0.79 1.59 0.08 -0.81 0.00 0.00 175.30 175.37 1ssn s VAL 78 N 2.79 3.57 0.08 7.11 1.01 -1.26 -1.47 120.40 132.22 1ssn s VAL 78 Ca 0.16 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 1ssn s VAL 78 Cb -0.13 -4.47 -0.13 0.00 0.00 0.00 0.00 36.38 31.66 1ssn s VAL 78 CO -0.23 -1.41 1.34 -0.37 0.00 0.00 0.00 175.10 174.43 1ssn h VAL 79 N 6.56 1.32 -4.22 2.92 -1.51 -1.84 -3.47 116.25 116.02 1ssn h VAL 79 Ca -0.19 -1.64 -0.13 0.00 -1.23 0.00 0.00 66.70 63.52 1ssn h VAL 79 Cb 1.08 1.83 -0.15 0.00 -2.13 0.00 0.00 31.29 31.93 1ssn h VAL 79 CO 1.27 0.51 -0.63 -1.61 -1.23 0.00 0.00 177.57 175.88 1ssn s GLU 80 N -4.06 0.71 0.12 5.19 2.02 -1.25 -5.06 118.70 116.37 1ssn s GLU 80 Ca -0.12 -1.24 -0.00 0.00 0.02 0.00 0.00 54.97 53.63 1ssn s GLU 80 Cb 0.08 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 1ssn s GLU 80 CO 0.84 -0.17 0.01 -0.48 0.02 0.00 0.00 175.26 175.48 1ssn s LEU 81 N -2.94 2.08 -0.15 1.80 0.05 -1.26 -1.58 118.68 116.68 1ssn s LEU 81 Ca 0.10 -1.13 -0.20 0.00 0.05 0.00 0.00 54.13 52.96 1ssn s LEU 81 Cb 0.07 0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 44.35 1ssn s LEU 81 CO -0.07 -0.64 0.56 -1.81 -0.55 0.00 0.00 176.35 173.83 1ssn s ASP 82 N -3.04 6.70 0.54 1.48 1.11 -0.95 -4.96 116.67 117.55 1ssn s ASP 82 Ca 0.19 0.84 0.32 0.00 0.18 0.00 0.00 52.55 54.08 1ssn s ASP 82 Cb 0.07 -2.32 1.29 0.00 1.07 0.00 0.00 42.92 43.03 1ssn s ASP 82 CO -0.01 -0.13 1.96 1.55 1.18 0.00 0.00 175.17 179.71 1ssn h PRO 83 N 7.12 0.00 -3.86 8.23 0.13 -2.00 -3.36 132.00 138.25 1ssn h PRO 83 Ca -0.37 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.03 1ssn h PRO 83 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 1ssn h PRO 83 CO 0.76 0.02 2.54 0.43 -0.23 0.00 0.00 178.00 181.52 1ssn n SER 84 N -3.12 4.51 -4.69 1.44 7.64 -1.26 -4.95 113.62 113.19 1ssn n SER 84 Ca 0.01 -2.97 -0.30 0.00 1.01 0.00 0.00 58.87 56.61 1ssn n SER 84 Cb 0.32 -1.58 0.15 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 1.89 1.52 -0.26 -0.43 0.00 -1.26 -4.83 121.76 118.39 1ssn s ALA 85 Ca 0.44 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1ssn s ALA 85 Cb 0.11 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 20.06 1ssn s ALA 85 CO -0.04 -2.47 0.40 -1.59 0.00 0.00 0.00 175.76 172.05 1ssn s LYS 86 N -4.78 0.37 0.16 0.00 -2.85 -0.95 -3.48 119.74 108.22 1ssn s LYS 86 Ca 0.64 0.46 -0.31 0.00 -1.00 0.00 0.00 55.97 55.76 1ssn s LYS 86 Cb -0.20 -0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 35.08 1ssn s LYS 86 CO 0.58 -0.74 1.53 0.42 0.10 0.00 0.00 175.35 177.24 1ssn s ILE 87 N 2.56 2.75 -0.53 3.79 1.09 -0.40 -3.05 121.20 127.41 1ssn s ILE 87 Ca 0.12 0.54 0.04 0.00 -1.10 0.00 0.00 60.65 60.26 1ssn s ILE 87 Cb -0.15 -3.35 0.17 0.00 -1.06 0.00 0.00 42.46 38.07 1ssn s ILE 87 CO -0.20 0.04 0.39 -1.61 -0.10 0.00 0.00 174.94 173.47 1ssn s GLU 88 N 1.07 1.56 -0.66 2.79 2.02 -0.94 -1.76 118.70 122.78 1ssn s GLU 88 Ca 0.69 -2.60 -0.26 0.00 0.02 0.00 0.00 54.97 52.82 1ssn s GLU 88 Cb -0.42 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1ssn s GLU 88 CO 0.32 -1.33 1.89 0.14 0.02 0.00 0.00 175.26 176.30 1ssn s VAL 89 N -0.52 3.36 -0.67 2.63 -7.23 -1.23 -2.60 120.40 114.13 1ssn s VAL 89 Ca 0.28 0.10 -0.19 0.00 -1.81 0.00 0.00 61.98 60.36 1ssn s VAL 89 Cb -0.02 -3.93 0.11 0.00 0.56 0.00 0.00 36.38 33.10 1ssn s VAL 89 CO -0.17 -0.90 0.81 -0.89 -0.31 0.00 0.00 175.10 173.64 1ssn s THR 90 N 9.34 4.81 -0.68 5.32 2.01 -0.81 -3.51 115.64 132.12 1ssn s THR 90 Ca 0.68 -1.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1ssn s THR 90 Cb -0.12 -4.56 0.18 0.00 0.01 0.00 0.00 72.50 68.01 1ssn s THR 90 CO 0.17 -1.22 0.59 -0.72 -0.69 0.00 0.00 174.62 172.75 1ssn s TYR 91 N 2.66 3.55 -0.26 4.92 -0.85 -1.23 -4.37 117.35 121.76 1ssn s TYR 91 Ca 0.17 -2.00 -0.05 0.00 -0.52 0.00 0.00 57.07 54.67 1ssn s TYR 91 Cb -0.19 -3.64 -0.15 0.00 0.38 0.00 0.00 41.96 38.36 1ssn s TYR 91 CO 0.03 -0.97 2.48 2.48 -1.52 0.00 0.00 175.55 178.06 1ssn n TYR 92 N 4.24 0.39 -2.64 -3.49 4.11 -1.26 -2.71 117.16 115.80 1ssn n TYR 92 Ca 0.04 -1.28 -0.42 0.00 -0.00 0.00 0.00 57.90 56.24 1ssn n TYR 92 Cb 0.43 -1.35 -0.03 0.00 -0.00 0.00 0.00 39.34 38.39 1ssn n TYR 92 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1ssn s ASP 93 N 2.55 6.25 -1.30 9.48 2.15 -1.26 -4.26 116.67 130.27 1ssn s ASP 93 Ca 0.44 -0.40 -0.11 0.00 0.43 0.00 0.00 52.55 52.92 1ssn s ASP 93 Cb 0.19 -2.52 0.15 0.00 -0.30 0.00 0.00 42.92 40.43 1ssn s ASP 93 CO -0.01 -1.62 1.87 1.17 -0.17 0.00 0.00 175.17 176.41 1ssn n LYS 94 N 8.67 3.47 0.17 4.34 3.00 -1.26 -2.01 118.16 134.53 1ssn n LYS 94 Ca 0.03 -3.43 0.00 0.00 -0.00 0.00 0.00 58.31 54.91 1ssn n LYS 94 Cb 0.48 -3.01 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 4.56 -1.79 0.00 3.14 3.02 -1.26 -4.90 115.26 118.03 1ssn n ASN 95 Ca 0.41 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1ssn n ASN 95 Cb 0.38 1.80 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 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 -3.35 0.00 -0.01 3.52 0.00 -1.26 -5.02 118.16 112.04 1ssn n LYS 96 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 1ssn n LYS 96 Cb 0.00 -0.27 -0.14 0.00 -0.00 0.00 0.00 35.03 34.62 1ssn n LYS 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ssn h LYS 97 N 0.00 0.19 -1.16 -1.58 3.64 -1.96 -3.51 116.57 112.19 1ssn h LYS 97 Ca 0.00 -0.32 0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1ssn h LYS 97 Cb 0.00 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1ssn h LYS 97 CO 0.00 1.15 -0.40 1.17 -2.27 0.00 0.00 179.45 179.11 1ssn n LYS 98 N -4.15 -1.10 -1.74 1.90 4.81 -0.85 -4.81 118.16 112.23 1ssn n LYS 98 Ca -0.21 0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 57.68 1ssn n LYS 98 Cb 0.79 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.52 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 -3.19 3.19 -0.27 1.64 2.12 -1.10 -4.52 118.70 116.56 1ssn s GLU 99 Ca 0.00 1.82 -0.03 0.00 0.36 0.00 0.00 54.97 57.12 1ssn s GLU 99 Cb 0.00 -4.32 0.09 0.00 0.26 0.00 0.00 34.13 30.16 1ssn s GLU 99 CO 0.00 -2.04 0.10 -1.21 -0.54 0.00 0.00 175.26 171.57 1ssn s GLU 100 N 6.14 0.42 -0.92 4.30 2.02 -1.26 -4.98 118.70 124.42 1ssn s GLU 100 Ca 0.94 -0.64 -0.24 0.00 0.02 0.00 0.00 54.97 55.04 1ssn s GLU 100 Cb -0.29 -1.65 0.04 0.00 0.10 0.00 0.00 34.13 32.32 1ssn s GLU 100 CO 0.35 -0.91 1.43 0.99 0.02 0.00 0.00 175.26 177.13 1ssn s THR 101 N 1.91 3.83 -0.56 3.63 2.01 -1.26 -4.42 115.64 120.79 1ssn s THR 101 Ca 0.07 -0.38 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 1ssn s THR 101 Cb -0.17 -4.96 0.03 0.00 0.01 0.00 0.00 72.50 67.42 1ssn s THR 101 CO -0.26 -1.86 1.06 -0.54 -0.69 0.00 0.00 174.62 172.33 1ssn s LYS 102 N 5.32 3.44 -1.38 4.92 -0.14 -1.23 -4.91 119.74 125.76 1ssn s LYS 102 Ca 0.44 0.01 -0.12 0.00 -1.36 0.00 0.00 55.97 54.95 1ssn s LYS 102 Cb -0.03 -4.02 0.10 0.00 -1.68 0.00 0.00 37.83 32.20 1ssn s LYS 102 CO -0.02 -1.55 2.09 -1.13 -0.76 0.00 0.00 175.35 173.98 1ssn n SER 103 N 7.88 4.60 -4.76 2.83 3.41 -1.26 -3.52 113.62 122.80 1ssn n SER 103 Ca 0.05 -2.97 -0.41 0.00 -0.26 0.00 0.00 58.87 55.29 1ssn n SER 103 Cb 0.48 -1.57 -0.02 0.00 -0.26 0.00 0.00 64.21 62.84 1ssn n SER 103 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ssn s PHE 104 N 1.80 2.96 0.00 7.33 2.19 -0.72 -4.90 117.98 126.64 1ssn s PHE 104 Ca 0.44 1.15 0.00 0.00 0.33 0.00 0.00 56.93 58.86 1ssn s PHE 104 Cb 0.12 -3.81 0.00 0.00 -1.31 0.00 0.00 43.02 38.02 1ssn s PHE 104 CO -0.05 -2.50 0.00 -0.35 1.83 0.00 0.00 175.22 174.15 1ssn n PRO 105 N 1.61 0.00 -3.53 10.12 -0.04 -1.26 -1.27 135.00 140.63 1ssn n PRO 105 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1ssn n PRO 105 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.01 0.52 1.10 -1.23 -3.47 121.20 118.12 1ssn s ILE 106 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 1ssn s ILE 106 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1ssn s ILE 106 CO 0.00 0.00 -0.04 0.42 -2.11 0.00 0.00 174.94 173.21 1ssn s THR 107 N -2.68 0.36 0.08 4.00 -4.23 -1.26 -4.98 115.64 106.93 1ssn s THR 107 Ca 0.04 -0.15 0.26 0.00 -1.18 0.00 0.00 61.69 60.66 1ssn s THR 107 Cb -0.01 -0.33 0.28 0.00 1.34 0.00 0.00 72.50 73.78 1ssn s THR 107 CO -0.07 0.12 1.85 -0.08 -0.54 0.00 0.00 174.62 175.90 1ssn h GLU 108 N 6.30 0.00 -0.05 3.99 4.81 -1.95 -2.29 114.58 125.40 1ssn h GLU 108 Ca -0.31 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1ssn h GLU 108 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1ssn h GLU 108 CO 0.50 0.15 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.69 1ssn h LYS 109 N 0.00 -0.02 0.00 1.92 3.64 -1.96 -3.43 116.57 116.72 1ssn h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ssn h LYS 109 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1ssn h LYS 109 CO 0.02 -0.01 0.00 0.41 -2.27 0.00 0.00 179.45 177.60 1ssn n GLY 110 N -1.13 1.50 3.64 5.01 0.00 -1.04 -5.01 105.19 108.15 1ssn n GLY 110 Ca -0.06 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.01 -0.72 0.22 1.61 -0.71 -0.91 -4.98 117.98 110.48 1ssn s PHE 111 Ca 0.00 1.65 -0.30 0.00 -1.04 0.00 0.00 56.93 57.24 1ssn s PHE 111 Cb 0.00 0.37 -0.08 0.00 -1.21 0.00 0.00 43.02 42.09 1ssn s PHE 111 CO 0.00 -0.35 1.02 0.08 -1.34 0.00 0.00 175.22 174.63 1ssn s VAL 112 N 0.64 3.93 -0.12 -2.49 1.01 -1.26 -1.16 120.40 120.94 1ssn s VAL 112 Ca -0.02 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 1ssn s VAL 112 Cb -0.05 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1ssn s VAL 112 CO -0.06 0.39 1.63 -0.69 0.00 0.00 0.00 175.10 176.36 1ssn s VAL 113 N -0.80 3.66 -0.01 2.92 1.01 -0.90 -4.93 120.40 121.35 1ssn s VAL 113 Ca 0.45 0.78 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 1ssn s VAL 113 Cb -0.28 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ssn s VAL 113 CO 0.35 -0.14 0.59 1.55 0.00 0.00 0.00 175.10 177.44 1ssn h PRO 114 N 9.99 -0.24 0.00 2.72 0.13 -1.94 -2.27 132.00 140.37 1ssn h PRO 114 Ca -0.36 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ssn h PRO 114 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ssn h PRO 114 CO 0.97 -0.16 0.00 -3.47 -0.23 0.00 0.00 178.00 175.11 1ssn n ASP 115 N -3.23 0.00 -3.45 1.44 2.03 -1.26 -4.54 116.55 107.55 1ssn n ASP 115 Ca -0.03 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.05 1ssn n ASP 115 Cb 0.10 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.56 1ssn n ASP 115 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1ssn n LEU 116 N 0.00 -4.37 -2.70 -2.67 -0.00 -1.26 -4.96 117.00 101.04 1ssn n LEU 116 Ca 0.00 -0.85 -0.07 0.00 -0.00 0.00 0.00 56.01 55.09 1ssn n LEU 116 Cb 0.00 -2.84 0.04 0.00 -0.00 0.00 0.00 43.42 40.62 1ssn n LEU 116 CO 0.00 0.26 -0.05 -1.20 -0.00 0.00 0.00 177.39 176.41 1ssn n SER 117 N -2.96 1.80 -0.04 1.96 7.64 -1.25 -4.54 113.62 116.22 1ssn n SER 117 Ca -0.08 -2.53 -0.05 0.00 1.01 0.00 0.00 58.87 57.22 1ssn n SER 117 Cb 0.61 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1ssn n SER 117 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ssn n GLU 118 N -0.32 0.29 -0.10 1.43 0.00 -1.26 -4.88 120.64 115.80 1ssn n GLU 118 Ca 0.11 0.12 -0.17 0.00 0.00 0.00 0.00 57.16 57.22 1ssn n GLU 118 Cb 0.81 -0.98 -0.06 0.00 0.00 0.00 0.00 31.44 31.21 1ssn n GLU 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1ssn n HIS 119 N -3.76 0.00 -3.38 4.31 1.44 -1.26 -4.97 115.22 107.59 1ssn n HIS 119 Ca -0.08 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.38 1ssn n HIS 119 Cb 0.29 -0.66 -0.02 0.00 0.12 0.00 0.00 29.99 29.72 1ssn n HIS 119 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1ssn s ILE 120 N -2.68 5.09 -0.42 0.61 -4.36 -1.26 -5.06 121.20 113.13 1ssn s ILE 120 Ca -0.31 -0.31 0.10 0.00 -0.26 0.00 0.00 60.65 59.88 1ssn s ILE 120 Cb 0.08 -3.82 0.34 0.00 1.25 0.00 0.00 42.46 40.32 1ssn s ILE 120 CO 0.42 -0.46 0.77 0.29 0.24 0.00 0.00 174.94 176.19 1ssn n LYS 121 N -1.46 1.46 -2.69 0.37 4.01 -1.26 -3.95 118.16 114.64 1ssn n LYS 121 Ca -0.04 -3.70 -0.05 0.00 -0.51 0.00 0.00 58.31 54.01 1ssn n LYS 121 Cb 0.55 -1.81 0.10 0.00 -0.51 0.00 0.00 35.03 33.36 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ssn n ASN 122 N 0.22 -1.63 0.05 4.39 6.94 -1.26 -3.25 115.26 120.73 1ssn n ASN 122 Ca 0.26 -2.49 -0.11 0.00 -0.02 0.00 0.00 54.58 52.22 1ssn n ASN 122 Cb 0.59 1.40 -0.05 0.00 -2.36 0.00 0.00 39.78 39.36 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 -0.17 -4.10 -0.53 0.13 -1.86 -3.35 132.00 124.47 1ssn h PRO 123 Ca -0.26 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 1ssn h PRO 123 Cb 1.18 0.04 0.04 0.00 0.13 0.00 0.00 31.00 32.39 1ssn h PRO 123 CO 0.02 -0.12 -0.16 0.41 -0.23 0.00 0.00 178.00 177.93 1ssn n GLY 124 N -1.24 -0.45 3.55 1.56 0.00 -1.25 -1.93 105.19 105.43 1ssn n GLY 124 Ca -0.05 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.07 1.62 -0.85 1.61 0.40 -1.04 -2.51 117.98 114.14 1ssn s PHE 125 Ca 0.08 0.84 -0.20 0.00 -0.60 0.00 0.00 56.93 57.06 1ssn s PHE 125 Cb -0.01 -4.05 0.11 0.00 0.51 0.00 0.00 43.02 39.57 1ssn s PHE 125 CO 0.34 -2.33 1.09 -0.80 0.70 0.00 0.00 175.22 174.23 1ssn s ASN 126 N 8.38 6.48 -0.42 1.36 0.01 -1.07 -1.49 114.94 128.19 1ssn s ASN 126 Ca 0.69 -1.70 -0.29 0.00 -0.71 0.00 0.00 52.86 50.85 1ssn s ASN 126 Cb -0.13 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1ssn s ASN 126 CO 0.21 -1.20 1.45 -0.76 -1.51 0.00 0.00 177.10 175.29 1ssn s LEU 127 N 3.21 3.56 -0.05 0.60 2.01 -0.80 -2.21 118.68 125.01 1ssn s LEU 127 Ca 0.30 0.83 0.03 0.00 0.01 0.00 0.00 54.13 55.30 1ssn s LEU 127 Cb -0.08 -3.51 0.00 0.00 0.01 0.00 0.00 46.19 42.61 1ssn s LEU 127 CO -0.04 -1.48 -0.15 -0.63 1.01 0.00 0.00 176.35 175.06 1ssn s ILE 128 N 5.62 1.28 -0.16 -0.59 1.01 -1.17 -2.59 121.20 124.60 1ssn s ILE 128 Ca 0.62 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 1ssn s ILE 128 Cb -0.14 -1.12 0.08 0.00 0.01 0.00 0.00 42.46 41.28 1ssn s ILE 128 CO 0.32 0.38 0.25 -0.89 0.00 0.00 0.00 174.94 175.00 1ssn s THR 129 N 0.24 -0.39 0.17 2.92 2.01 -1.24 -2.25 115.64 117.09 1ssn s THR 129 Ca -0.07 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.76 1ssn s THR 129 Cb -0.12 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.76 1ssn s THR 129 CO 0.03 -0.00 1.35 -0.75 -0.69 0.00 0.00 174.62 174.56 1ssn s LYS 130 N 2.39 4.35 0.08 4.92 2.36 -1.26 -2.08 119.74 130.50 1ssn s LYS 130 Ca 0.04 2.08 0.03 0.00 -2.55 0.00 0.00 55.97 55.57 1ssn s LYS 130 Cb -0.13 -3.21 -0.03 0.00 -1.05 0.00 0.00 37.83 33.40 1ssn s LYS 130 CO -0.10 -0.34 -0.09 0.14 1.55 0.00 0.00 175.35 176.51 1ssn s VAL 131 N 0.51 0.77 -0.54 4.02 -7.23 -0.93 -2.23 120.40 114.79 1ssn s VAL 131 Ca 0.60 -1.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.11 1ssn s VAL 131 Cb -0.37 -1.13 0.07 0.00 0.56 0.00 0.00 36.38 35.51 1ssn s VAL 131 CO 0.35 -0.52 0.67 -0.69 -0.31 0.00 0.00 175.10 174.60 1ssn s VAL 132 N -2.19 4.82 -0.12 1.32 1.01 -0.62 -2.84 120.40 121.79 1ssn s VAL 132 Ca 0.01 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 1ssn s VAL 132 Cb -0.04 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1ssn s VAL 132 CO -0.01 -0.93 0.35 -0.63 0.00 0.00 0.00 175.10 173.88 1ssn s ILE 133 N 2.75 5.24 -0.44 2.22 1.01 -1.14 -2.31 121.20 128.54 1ssn s ILE 133 Ca 0.15 0.67 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 1ssn s ILE 133 Cb -0.20 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.71 1ssn s ILE 133 CO 0.11 0.43 0.23 -0.70 0.00 0.00 0.00 174.94 175.00 1ssn s GLU 134 N 0.10 2.04 0.11 2.79 2.12 -0.55 -4.75 118.70 120.57 1ssn s GLU 134 Ca 0.20 -1.96 -0.31 0.00 0.36 0.00 0.00 54.97 53.26 1ssn s GLU 134 Cb -0.14 -3.57 -0.07 0.00 0.26 0.00 0.00 34.13 30.61 1ssn s GLU 134 CO 0.07 -1.08 1.26 -1.59 -0.54 0.00 0.00 175.26 173.38 1ssn s LYS 135 N 0.89 4.41 0.00 4.30 -2.85 -1.26 -2.22 119.74 123.00 1ssn s LYS 135 Ca 0.10 1.90 0.26 0.00 -1.00 0.00 0.00 55.97 57.22 1ssn s LYS 135 Cb -0.22 -3.29 0.54 0.00 -2.06 0.00 0.00 37.83 32.80 1ssn s LYS 135 CO -0.04 -0.27 1.46 0.36 0.10 0.00 0.00 175.35 176.95