#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3n n VAL 36 N 0.00 0.98 -2.53 3.34 3.14 -1.26 -4.13 118.33 117.88 1u3n n VAL 36 Ca 0.00 -0.50 -0.02 0.00 -2.96 0.00 0.00 64.34 60.86 1u3n n VAL 36 Cb 0.00 -0.26 -0.02 0.00 -1.06 0.00 0.00 33.84 32.51 1u3n n VAL 36 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1u3n n GLU 37 N 0.94 -3.44 -0.85 1.45 2.13 -1.26 -5.08 120.64 114.53 1u3n n GLU 37 Ca 0.10 2.74 0.00 0.00 0.66 0.00 0.00 57.16 60.66 1u3n n GLU 37 Cb 0.44 -4.76 0.00 0.00 0.27 0.00 0.00 31.44 27.39 1u3n n GLU 37 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1u3n n THR 38 N 0.94 0.00 -4.49 6.31 -2.24 -1.26 -5.17 114.28 108.36 1u3n n THR 38 Ca -0.14 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1u3n n THR 38 Cb 0.21 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 1u3n n THR 38 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u3n s SER 39 N 0.15 4.24 0.00 3.42 1.04 -1.26 -5.01 113.70 116.28 1u3n s SER 39 Ca 0.00 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1u3n s SER 39 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1u3n s SER 39 CO 0.00 -0.82 0.00 0.00 0.98 0.00 0.00 173.24 173.40 1u3n n ALA 40 N -1.33 2.67 -2.72 5.32 0.00 -1.26 -5.11 120.51 118.08 1u3n n ALA 40 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1u3n n ALA 40 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 1u3n n ALA 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u3n s PHE 41 N -0.67 2.90 -0.59 0.00 0.08 -1.26 -5.00 117.98 113.43 1u3n s PHE 41 Ca 0.00 -0.15 -0.40 0.00 0.12 0.00 0.00 56.93 56.50 1u3n s PHE 41 Cb 0.00 -1.33 -0.19 0.00 -0.57 0.00 0.00 43.02 40.93 1u3n s PHE 41 CO 0.00 0.56 2.19 0.41 -0.10 0.00 0.00 175.22 178.28 1u3n n GLY 42 N -0.76 -0.22 3.56 4.36 0.00 -1.26 -4.67 105.19 106.20 1u3n n GLY 42 Ca -0.08 1.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.88 1u3n n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u3n s HIS 43 N 6.46 -0.64 -0.46 1.61 -3.43 -1.26 -4.53 115.29 113.04 1u3n s HIS 43 Ca 1.19 1.25 0.09 0.00 -0.80 0.00 0.00 55.06 56.80 1u3n s HIS 43 Cb -1.39 0.38 0.35 0.00 -1.43 0.00 0.00 32.58 30.49 1u3n s HIS 43 CO 0.60 -0.50 0.85 0.72 -2.00 0.00 0.00 174.74 174.41 1u3n n HIS 44 N 1.38 1.96 -3.20 0.38 8.25 -1.26 -4.89 115.22 117.85 1u3n n HIS 44 Ca -0.16 -3.81 -0.23 0.00 -0.26 0.00 0.00 57.72 53.26 1u3n n HIS 44 Cb 0.57 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1u3n n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u3n n VAL 45 N 0.01 0.35 -3.16 1.59 0.31 -1.25 -4.44 118.33 111.74 1u3n n VAL 45 Ca 0.27 -4.56 -0.39 0.00 -0.01 0.00 0.00 64.34 59.66 1u3n n VAL 45 Cb 0.56 -1.37 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 1u3n n VAL 45 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1u3n s GLN 46 N -2.04 4.38 -0.69 5.55 -0.21 -1.26 -2.43 119.66 122.96 1u3n s GLN 46 Ca 0.39 0.73 -0.05 0.00 0.02 0.00 0.00 55.36 56.44 1u3n s GLN 46 Cb 0.24 -3.41 0.18 0.00 1.00 0.00 0.00 33.01 31.01 1u3n s GLN 46 CO -0.09 0.18 0.53 -0.51 -2.12 0.00 0.00 175.29 173.29 1u3n s LEU 47 N 0.44 5.57 -0.29 2.90 1.43 -1.26 -4.03 118.68 123.43 1u3n s LEU 47 Ca 0.33 -2.89 -0.06 0.00 -1.03 0.00 0.00 54.13 50.47 1u3n s LEU 47 Cb -0.17 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1u3n s LEU 47 CO 0.16 -0.39 0.06 -0.69 0.23 0.00 0.00 176.35 175.72 1u3n s VAL 48 N -0.12 3.80 0.33 -1.59 1.01 -1.26 -4.46 120.40 118.12 1u3n s VAL 48 Ca 0.18 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1u3n s VAL 48 Cb -0.17 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 1u3n s VAL 48 CO -0.05 0.07 0.87 0.20 0.00 0.00 0.00 175.10 176.20 1u3n s ASN 49 N 1.47 7.08 0.00 3.32 0.01 0.40 -4.38 114.94 122.85 1u3n s ASN 49 Ca 0.02 1.63 0.16 0.00 -0.71 0.00 0.00 52.86 53.95 1u3n s ASN 49 Cb -0.17 -2.51 0.94 0.00 0.41 0.00 0.00 41.25 39.92 1u3n s ASN 49 CO 0.02 -0.15 1.56 0.54 -1.51 0.00 0.00 177.10 177.55 1u3n n ARG 50 N 0.11 0.93 0.00 -0.60 5.12 -1.26 -0.58 116.66 120.39 1u3n n ARG 50 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1u3n n ARG 50 Cb 0.52 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 1u3n n ARG 50 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1u3n n GLU 51 N -0.76 0.00 -0.35 5.56 -0.58 -1.26 -4.71 120.64 118.54 1u3n n GLU 51 Ca 0.12 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.92 1u3n n GLU 51 Cb 0.05 -0.29 0.22 0.00 -0.57 0.00 0.00 31.44 30.85 1u3n n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u3n n GLY 52 N 2.32 1.59 5.00 0.62 0.00 -1.26 -4.93 105.19 108.54 1u3n n GLY 52 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1u3n n GLY 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u3n n LYS 53 N 0.69 0.00 -3.65 1.61 4.81 0.26 -4.51 118.16 117.37 1u3n n LYS 53 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.57 1u3n n LYS 53 Cb 0.54 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.52 1u3n n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u3n s ALA 54 N 0.00 -2.21 -0.11 3.14 0.00 -1.26 0.15 121.76 121.47 1u3n s ALA 54 Ca 0.00 1.71 0.02 0.00 0.00 0.00 0.00 51.96 53.69 1u3n s ALA 54 Cb 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1u3n s ALA 54 CO 0.00 -0.12 0.12 1.33 0.00 0.00 0.00 175.76 177.10 1u3n n VAL 55 N 1.69 0.00 -0.53 0.00 0.24 -1.26 -4.97 118.33 113.50 1u3n n VAL 55 Ca -0.11 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1u3n n VAL 55 Cb 0.57 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1u3n n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u3n n GLY 56 N 0.98 2.86 0.00 7.63 0.00 -1.26 -4.53 105.19 110.86 1u3n n GLY 56 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1u3n n GLY 56 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u3n n PHE 57 N 0.00 0.00 -3.84 1.61 1.16 -1.26 -4.59 117.46 110.54 1u3n n PHE 57 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.22 1u3n n PHE 57 Cb 0.00 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.74 1u3n n PHE 57 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1u3n s ILE 58 N -2.00 3.27 -0.52 1.97 -1.09 -1.02 -3.79 121.20 118.03 1u3n s ILE 58 Ca 0.00 -1.45 -0.07 0.00 -2.23 0.00 0.00 60.65 56.91 1u3n s ILE 58 Cb 0.00 -2.94 0.13 0.00 -1.58 0.00 0.00 42.46 38.07 1u3n s ILE 58 CO 0.00 -0.24 0.37 -1.61 -1.23 0.00 0.00 174.94 172.22 1u3n s GLU 59 N 1.27 2.47 -0.02 2.79 2.02 -1.26 -4.46 118.70 121.51 1u3n s GLU 59 Ca -0.02 -2.00 -0.08 0.00 0.02 0.00 0.00 54.97 52.89 1u3n s GLU 59 Cb -0.20 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.14 1u3n s GLU 59 CO -0.01 -1.17 0.26 0.42 0.02 0.00 0.00 175.26 174.79 1u3n s ILE 60 N 0.90 5.31 -0.42 -1.63 1.01 -1.26 -3.69 121.20 121.42 1u3n s ILE 60 Ca 0.10 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.06 1u3n s ILE 60 Cb -0.23 -3.55 0.18 0.00 0.01 0.00 0.00 42.46 38.87 1u3n s ILE 60 CO -0.03 0.45 0.39 2.29 0.00 0.00 0.00 174.94 178.04 1u3n n LYS 61 N 1.40 0.24 -1.09 2.79 -0.00 -1.26 -4.35 118.16 115.88 1u3n n LYS 61 Ca -0.13 -3.04 -0.43 0.00 -0.00 0.00 0.00 58.31 54.70 1u3n n LYS 61 Cb 0.53 -1.63 -0.06 0.00 -0.00 0.00 0.00 35.03 33.87 1u3n n LYS 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1u3n n GLU 62 N 2.79 0.00 -2.81 -1.58 -0.00 -1.26 -4.60 120.64 113.19 1u3n n GLU 62 Ca 0.28 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.28 1u3n n GLU 62 Cb 0.49 -1.03 0.02 0.00 -0.00 0.00 0.00 31.44 30.92 1u3n n GLU 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1u3n n SER 63 N 1.68 1.91 -3.27 -1.84 3.41 -1.26 -5.07 113.62 109.18 1u3n n SER 63 Ca 0.17 -2.20 -0.25 0.00 -0.26 0.00 0.00 58.87 56.33 1u3n n SER 63 Cb 0.02 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 1u3n n SER 63 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u3n n ASP 64 N -2.14 0.63 0.01 4.04 9.92 -1.26 -4.90 116.55 122.85 1u3n n ASP 64 Ca 0.03 -2.76 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 1u3n n ASP 64 Cb 0.42 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1u3n n ASP 64 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1u3n n ASP 65 N 1.58 -0.20 -3.04 -2.24 2.03 -1.26 -5.16 116.55 108.25 1u3n n ASP 65 Ca 0.24 0.05 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 1u3n n ASP 65 Cb 0.50 0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 41.43 1u3n n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1u3n n GLU 66 N -2.56 1.05 0.00 -0.67 1.02 -1.26 -5.09 120.64 113.13 1u3n n GLU 66 Ca 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1u3n n GLU 66 Cb 0.00 0.75 0.00 0.00 -0.02 0.00 0.00 31.44 32.17 1u3n n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u3n n GLY 67 N 1.27 -1.16 3.64 0.62 0.00 -1.26 -4.65 105.19 103.65 1u3n n GLY 67 Ca -0.07 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1u3n n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3n s LEU 68 N -0.64 3.29 -0.15 0.99 2.01 -1.26 -4.84 118.68 118.07 1u3n s LEU 68 Ca 0.00 -0.26 0.10 0.00 0.01 0.00 0.00 54.13 53.99 1u3n s LEU 68 Cb 0.00 -2.04 0.26 0.00 0.01 0.00 0.00 46.19 44.42 1u3n s LEU 68 CO 0.00 0.18 1.23 -0.67 1.01 0.00 0.00 176.35 178.10 1u3n n ASP 69 N 0.66 -0.64 -4.78 2.29 -0.08 -1.26 -4.56 116.55 108.18 1u3n n ASP 69 Ca -0.12 -2.08 -0.22 0.00 -1.51 0.00 0.00 54.79 50.86 1u3n n ASP 69 Cb 0.52 0.28 0.09 0.00 2.34 0.00 0.00 41.12 44.35 1u3n n ASP 69 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1u3n s ILE 70 N -0.38 2.15 -0.53 5.18 -0.00 -1.26 -4.80 121.20 121.57 1u3n s ILE 70 Ca 0.10 -0.71 0.07 0.00 -0.00 0.00 0.00 60.65 60.11 1u3n s ILE 70 Cb 0.25 -2.44 0.35 0.00 -0.00 0.00 0.00 42.46 40.61 1u3n s ILE 70 CO -0.07 0.00 0.91 1.57 -0.00 0.00 0.00 174.94 177.35 1u3n n HIS 71 N -2.65 3.20 -3.39 1.37 -0.00 -1.24 -4.80 115.22 107.70 1u3n n HIS 71 Ca 0.15 -3.92 -0.37 0.00 0.46 0.00 0.00 57.72 54.03 1u3n n HIS 71 Cb 0.61 -0.46 -0.06 0.00 -0.12 0.00 0.00 29.99 29.95 1u3n n HIS 71 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1u3n s ILE 72 N -4.07 5.23 -0.46 3.57 -5.25 -1.25 -4.59 121.20 114.38 1u3n s ILE 72 Ca 0.47 0.81 0.07 0.00 -0.99 0.00 0.00 60.65 61.00 1u3n s ILE 72 Cb 0.30 -3.75 0.26 0.00 2.95 0.00 0.00 42.46 42.22 1u3n s ILE 72 CO -0.13 0.35 0.86 -1.20 -1.79 0.00 0.00 174.94 173.03 1u3n n SER 73 N 3.66 -2.02 -3.67 4.36 7.64 -1.23 -3.45 113.62 118.91 1u3n n SER 73 Ca -0.09 -3.26 -0.46 0.00 1.01 0.00 0.00 58.87 56.08 1u3n n SER 73 Cb 0.52 1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 64.93 1u3n n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u3n n ALA 74 N 1.27 -2.92 -1.81 -0.43 0.00 -1.25 -4.60 120.51 110.77 1u3n n ALA 74 Ca 0.12 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 1u3n n ALA 74 Cb 0.63 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.71 1u3n n ALA 74 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u3n s ASN 75 N -0.26 5.65 -0.33 0.00 0.02 -1.26 -3.88 114.94 114.89 1u3n s ASN 75 Ca 0.68 1.32 -0.06 0.00 -1.02 0.00 0.00 52.86 53.78 1u3n s ASN 75 Cb -0.96 -2.22 0.04 0.00 0.02 0.00 0.00 41.25 38.13 1u3n s ASN 75 CO 0.47 -1.23 0.09 -0.44 0.02 0.00 0.00 177.10 176.01 1u3n s SER 76 N -4.17 5.25 0.10 -1.22 0.01 -1.11 -4.44 113.70 108.12 1u3n s SER 76 Ca 0.57 -1.13 -0.19 0.00 1.31 0.00 0.00 55.95 56.51 1u3n s SER 76 Cb -0.12 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1u3n s SER 76 CO 0.53 -0.31 1.04 0.18 0.41 0.00 0.00 173.24 175.10 1u3n n LEU 77 N 4.79 -0.67 0.00 2.44 4.32 -1.26 -4.30 117.00 122.33 1u3n n LEU 77 Ca -0.13 1.19 0.00 0.00 -0.02 0.00 0.00 56.01 57.06 1u3n n LEU 77 Cb 0.45 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1u3n n LEU 77 CO 0.31 -0.95 0.00 0.54 -1.22 0.00 0.00 177.39 176.07 1u3n n ARG 78 N -4.65 0.00 -2.38 3.23 1.74 -1.26 -5.02 116.66 108.32 1u3n n ARG 78 Ca 0.01 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 1u3n n ARG 78 Cb 0.16 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.58 1u3n n ARG 78 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1u3n s PRO 79 N 0.00 3.92 -0.03 5.56 0.04 -1.26 -3.20 135.00 140.03 1u3n s PRO 79 Ca 0.00 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 1u3n s PRO 79 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1u3n s PRO 79 CO 0.00 -1.12 0.02 0.41 0.04 0.00 0.00 177.00 176.36 1u3n n GLY 80 N 4.32 -0.03 3.10 0.56 0.00 -1.26 -4.28 105.19 107.59 1u3n n GLY 80 Ca 0.15 0.03 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 1u3n n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3n n ALA 81 N -0.41 -3.08 -2.83 4.61 0.00 -1.21 -4.52 120.51 113.08 1u3n n ALA 81 Ca -0.01 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1u3n n ALA 81 Cb 0.03 -1.52 0.04 0.00 0.00 0.00 0.00 19.45 18.00 1u3n n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u3n n SER 82 N 1.52 -2.03 -3.87 0.00 7.64 -1.25 -2.36 113.62 113.27 1u3n n SER 82 Ca 0.17 -3.36 -0.30 0.00 1.01 0.00 0.00 58.87 56.39 1u3n n SER 82 Cb 0.13 1.38 -0.15 0.00 -1.01 0.00 0.00 64.21 64.56 1u3n n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u3n s LEU 83 N -1.48 3.16 0.00 -3.43 1.43 -1.25 -4.51 118.68 112.59 1u3n s LEU 83 Ca 0.29 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1u3n s LEU 83 Cb 0.26 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1u3n s LEU 83 CO -0.15 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1u3n n GLY 84 N 4.61 0.92 3.85 -3.19 0.00 -1.26 -4.39 105.19 105.73 1u3n n GLY 84 Ca -0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 1u3n n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u3n s PHE 85 N -2.00 0.02 0.42 1.61 2.19 -1.26 -4.50 117.98 114.46 1u3n s PHE 85 Ca 0.00 -0.32 0.08 0.00 0.33 0.00 0.00 56.93 57.02 1u3n s PHE 85 Cb 0.00 0.65 0.01 0.00 -1.31 0.00 0.00 43.02 42.37 1u3n s PHE 85 CO 0.00 -0.72 0.57 -1.58 1.83 0.00 0.00 175.22 175.32 1u3n s HIS 86 N -2.36 2.84 0.24 10.12 2.46 -1.26 -4.58 115.29 122.75 1u3n s HIS 86 Ca 0.21 -0.37 -0.30 0.00 0.47 0.00 0.00 55.06 55.06 1u3n s HIS 86 Cb -0.01 -2.36 -0.09 0.00 -0.13 0.00 0.00 32.58 29.98 1u3n s HIS 86 CO 0.03 -0.40 1.34 -1.50 -2.47 0.00 0.00 174.74 171.73 1u3n s ILE 87 N -2.35 2.97 0.29 0.89 1.10 -1.26 -4.51 121.20 118.32 1u3n s ILE 87 Ca 0.54 0.84 0.11 0.00 -0.51 0.00 0.00 60.65 61.62 1u3n s ILE 87 Cb -0.10 -3.53 -0.05 0.00 0.15 0.00 0.00 42.46 38.93 1u3n s ILE 87 CO 0.33 0.14 -0.09 -0.31 -2.11 0.00 0.00 174.94 172.91 1u3n s TYR 88 N -0.21 2.49 0.17 3.50 1.51 -0.84 -4.94 117.35 119.02 1u3n s TYR 88 Ca 0.55 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 56.23 1u3n s TYR 88 Cb -0.38 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1u3n s TYR 88 CO 0.43 0.64 1.50 1.05 -1.11 0.00 0.00 175.55 178.06 1u3n h GLU 89 N 2.04 0.82 0.00 -0.62 9.09 -1.85 -3.40 114.58 120.66 1u3n h GLU 89 Ca -0.42 -0.44 -0.34 0.00 0.05 0.00 0.00 59.36 58.21 1u3n h GLU 89 Cb 1.25 0.02 -0.09 0.00 -1.65 0.00 0.00 28.75 28.28 1u3n h GLU 89 CO 0.61 1.07 -0.31 1.63 0.05 0.00 0.00 179.01 182.07 1u3n n LYS 90 N -4.04 0.38 -0.64 1.06 5.02 -1.26 -4.76 118.16 113.92 1u3n n LYS 90 Ca -0.02 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 1u3n n LYS 90 Cb 0.55 2.18 0.00 0.00 -0.02 0.00 0.00 35.03 37.73 1u3n n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u3n n GLY 91 N -0.49 0.82 1.46 0.72 0.00 -1.26 -4.93 105.19 101.50 1u3n n GLY 91 Ca 0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 1u3n n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u3n n SER 92 N -0.56 3.82 -2.83 1.61 3.41 -1.26 -4.85 113.62 112.97 1u3n n SER 92 Ca 0.00 -2.67 -0.11 0.00 -0.26 0.00 0.00 58.87 55.82 1u3n n SER 92 Cb 0.20 -0.64 0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1u3n n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u3n n VAL 94 N -2.83 0.00 -3.37 0.00 0.24 -1.26 -5.03 118.33 106.08 1u3n n VAL 94 Ca -0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.98 1u3n n VAL 94 Cb 0.59 -0.34 -0.10 0.00 -1.47 0.00 0.00 33.84 32.52 1u3n n VAL 94 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1u3n n ARG 95 N -3.47 0.30 -2.31 7.34 5.12 -1.26 -5.06 116.66 117.32 1u3n n ARG 95 Ca 0.00 -3.21 -0.34 0.00 -1.93 0.00 0.00 57.85 52.37 1u3n n ARG 95 Cb 0.00 -1.62 -0.04 0.00 -1.16 0.00 0.00 32.46 29.64 1u3n n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1u3n s PRO 96 N -0.16 3.10 0.00 5.56 0.04 -1.26 -4.69 135.00 137.59 1u3n s PRO 96 Ca 0.33 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1u3n s PRO 96 Cb 0.06 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.36 1u3n s PRO 96 CO -0.19 -2.82 0.00 -0.25 0.04 0.00 0.00 177.00 173.79 1u3n n ASP 97 N 11.39 0.00 0.00 6.66 8.00 -1.26 -5.14 116.55 136.20 1u3n n ASP 97 Ca 0.38 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1u3n n ASP 97 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1u3n n ASP 97 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1u3n n PHE 98 N 0.00 0.00 -1.88 1.24 7.35 -1.26 -5.14 117.46 117.76 1u3n n PHE 98 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1u3n n PHE 98 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1u3n n PHE 98 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1u3n s GLU 99 N 0.00 4.19 0.00 -4.13 -1.05 -1.26 -4.78 118.70 111.67 1u3n s GLU 99 Ca 0.00 2.45 0.00 0.00 -0.15 0.00 0.00 54.97 57.27 1u3n s GLU 99 Cb 0.00 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 1u3n s GLU 99 CO 0.00 -0.53 0.00 0.43 0.95 0.00 0.00 175.26 176.11 1u3n n SER 100 N 2.18 0.00 -4.00 0.83 7.64 -1.26 -4.96 113.62 114.05 1u3n n SER 100 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 1u3n n SER 100 Cb 0.39 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1u3n n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u3n n ALA 101 N 0.00 -2.36 -3.06 -0.43 0.00 -1.26 -4.93 120.51 108.46 1u3n n ALA 101 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1u3n n ALA 101 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1u3n n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3n n GLY 102 N -2.07 4.83 4.51 0.00 0.00 -1.26 -5.02 105.19 106.18 1u3n n GLY 102 Ca -0.19 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1u3n n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3n n GLY 103 N 0.64 -1.73 2.63 -0.02 0.00 -1.26 -4.90 105.19 100.55 1u3n n GLY 103 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 1u3n n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u3n n PRO 104 N -1.70 -1.71 -3.89 1.61 -0.04 -1.26 -5.05 135.00 122.97 1u3n n PRO 104 Ca 0.00 -1.36 -0.24 0.00 -0.04 0.00 0.00 63.50 61.86 1u3n n PRO 104 Cb 0.14 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1u3n n PRO 104 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1u3n s PHE 105 N -2.76 2.43 0.27 0.54 5.36 -1.26 -5.14 117.98 117.43 1u3n s PHE 105 Ca 0.52 -0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1u3n s PHE 105 Cb -0.03 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1u3n s PHE 105 CO 0.38 -0.06 0.46 -0.80 -1.46 0.00 0.00 175.22 173.75 1u3n s ASN 106 N -4.06 6.35 0.82 6.13 -0.87 -1.26 -4.91 114.94 117.15 1u3n s ASN 106 Ca 0.42 0.41 -0.12 0.00 -1.57 0.00 0.00 52.86 52.00 1u3n s ASN 106 Cb 0.00 -2.01 0.09 0.00 -0.02 0.00 0.00 41.25 39.30 1u3n s ASN 106 CO 0.24 -0.16 1.11 -2.16 -2.57 0.00 0.00 177.10 173.56 1u3n s PRO 107 N -3.80 1.86 0.00 -0.60 0.04 -1.26 -4.84 135.00 126.40 1u3n s PRO 107 Ca 0.39 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1u3n s PRO 107 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1u3n s PRO 107 CO 0.32 -1.76 0.71 1.28 0.04 0.00 0.00 177.00 177.59 1u3n n LEU 108 N -3.51 0.00 -2.79 -3.56 4.32 -1.26 -4.68 117.00 105.52 1u3n n LEU 108 Ca 0.07 0.71 -0.00 0.00 -0.02 0.00 0.00 56.01 56.76 1u3n n LEU 108 Cb 0.57 -0.21 0.01 0.00 -1.62 0.00 0.00 43.42 42.18 1u3n n LEU 108 CO 0.57 -0.21 0.41 0.21 -1.22 0.00 0.00 177.39 177.15 1u3n s ASN 109 N -2.99 -0.51 -1.51 -1.43 2.47 -1.26 -4.96 114.94 104.75 1u3n s ASN 109 Ca 0.00 -0.37 -0.01 0.00 0.42 0.00 0.00 52.86 52.90 1u3n s ASN 109 Cb 0.00 0.65 0.00 0.00 -1.45 0.00 0.00 41.25 40.45 1u3n s ASN 109 CO 0.00 -0.04 0.11 0.29 -3.72 0.00 0.00 177.10 173.74 1u3n n LYS 110 N 3.42 -1.45 -4.79 0.43 5.02 -1.26 -4.92 118.16 114.60 1u3n n LYS 110 Ca 0.08 0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 56.27 1u3n n LYS 110 Cb 0.63 -3.77 -0.17 0.00 -0.02 0.00 0.00 35.03 31.70 1u3n n LYS 110 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1u3n s GLU 111 N -7.20 2.13 -0.28 1.97 0.41 -1.26 -5.11 118.70 109.36 1u3n s GLU 111 Ca 0.01 -0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 53.75 1u3n s GLU 111 Cb -0.01 -1.69 0.17 0.00 -1.78 0.00 0.00 34.13 30.83 1u3n s GLU 111 CO 0.97 0.08 1.31 -3.38 -0.49 0.00 0.00 175.26 173.75 1u3n s HIS 112 N 0.55 -0.15 -0.34 1.61 -3.43 -1.26 -3.49 115.29 108.77 1u3n s HIS 112 Ca -0.16 0.34 0.04 0.00 -0.80 0.00 0.00 55.06 54.48 1u3n s HIS 112 Cb -0.16 0.46 0.20 0.00 -1.43 0.00 0.00 32.58 31.65 1u3n s HIS 112 CO 0.05 -0.09 1.20 0.41 -2.00 0.00 0.00 174.74 174.31 1u3n n GLY 113 N 1.34 -0.57 5.00 -1.38 0.00 -1.26 -4.91 105.19 103.40 1u3n n GLY 113 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1u3n n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u3n n PHE 114 N -0.17 0.00 -2.39 1.61 -0.00 -1.26 -1.81 117.46 113.44 1u3n n PHE 114 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.29 1u3n n PHE 114 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.19 1u3n n PHE 114 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1u3n n ASN 115 N 1.53 0.23 -3.98 -2.13 6.94 -1.26 -4.86 115.26 111.73 1u3n n ASN 115 Ca 0.00 -2.02 -0.28 0.00 -0.02 0.00 0.00 54.58 52.26 1u3n n ASN 115 Cb 0.00 -0.05 0.12 0.00 -2.36 0.00 0.00 39.78 37.49 1u3n n ASN 115 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1u3n n ASN 116 N 0.04 -2.68 0.12 0.53 4.13 -0.75 -4.87 115.26 111.78 1u3n n ASN 116 Ca -0.07 -0.16 -0.03 0.00 1.68 0.00 0.00 54.58 56.01 1u3n n ASN 116 Cb 0.94 -0.75 0.08 0.00 -1.54 0.00 0.00 39.78 38.52 1u3n n ASN 116 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1u3n h PRO 117 N -1.96 0.00 0.13 3.52 0.13 -2.00 -3.31 132.00 128.52 1u3n h PRO 117 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1u3n h PRO 117 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1u3n h PRO 117 CO 0.25 0.72 -0.06 0.52 -0.23 0.00 0.00 178.00 179.19 1u3n h MET 118 N 0.00 -0.17 0.00 0.86 2.86 -1.97 -3.50 114.93 113.00 1u3n h MET 118 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u3n h MET 118 Cb 1.30 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1u3n h MET 118 CO 0.09 0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.72 1u3n n GLY 119 N 0.90 2.68 0.08 8.32 0.00 -1.25 -4.98 105.19 110.94 1u3n n GLY 119 Ca -0.07 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 1u3n n GLY 119 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1u3n h HIS 120 N 0.00 -0.29 -1.94 1.61 2.07 -1.89 -3.40 115.15 111.32 1u3n h HIS 120 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1u3n h HIS 120 Cb 0.00 0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.11 1u3n h HIS 120 CO 0.00 -0.09 0.00 0.72 -3.07 0.00 0.00 177.93 175.49 1u3n n HIS 121 N -3.13 -0.61 0.00 6.12 -0.00 -1.26 -4.41 115.22 111.93 1u3n n HIS 121 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1u3n n HIS 121 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 1u3n n HIS 121 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1u3n n ALA 122 N -3.00 1.61 0.00 -1.41 0.00 -1.26 -4.95 120.51 111.50 1u3n n ALA 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u3n n ALA 122 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1u3n n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3n n GLY 123 N 4.14 0.47 1.51 0.00 0.00 -1.26 -4.43 105.19 105.63 1u3n n GLY 123 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u3n n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u3n n ASP 124 N 0.95 -1.97 -3.67 1.61 -0.08 -1.26 -4.74 116.55 107.39 1u3n n ASP 124 Ca 0.00 0.03 -0.27 0.00 -1.51 0.00 0.00 54.79 53.03 1u3n n ASP 124 Cb 0.00 -1.09 -0.10 0.00 2.34 0.00 0.00 41.12 42.27 1u3n n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u3n n LEU 125 N 0.03 2.46 -4.79 -2.67 -0.00 -1.26 -4.00 117.00 106.76 1u3n n LEU 125 Ca -0.01 -5.10 -0.29 0.00 -0.00 0.00 0.00 56.01 50.61 1u3n n LEU 125 Cb 0.01 -0.44 0.12 0.00 -0.00 0.00 0.00 43.42 43.11 1u3n n LEU 125 CO 0.01 1.86 0.71 -2.16 -0.00 0.00 0.00 177.39 177.81 1u3n s PRO 126 N -1.45 1.55 0.49 1.47 0.04 -1.26 -4.79 135.00 131.04 1u3n s PRO 126 Ca 0.30 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1u3n s PRO 126 Cb 0.03 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1u3n s PRO 126 CO -0.14 -1.95 0.00 0.09 0.04 0.00 0.00 177.00 175.05 1u3n n ASN 127 N -3.62 -8.74 -3.07 6.66 4.13 -1.26 -4.18 115.26 105.18 1u3n n ASN 127 Ca 0.07 1.03 -0.00 0.00 1.68 0.00 0.00 54.58 57.35 1u3n n ASN 127 Cb 0.58 -4.70 -0.00 0.00 -1.54 0.00 0.00 39.78 34.12 1u3n n ASN 127 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1u3n n LEU 128 N -4.33 -4.56 -3.80 3.41 4.77 -1.26 -4.60 117.00 106.63 1u3n n LEU 128 Ca -0.04 0.80 -0.21 0.00 -0.03 0.00 0.00 56.01 56.53 1u3n n LEU 128 Cb 0.68 -1.88 -0.17 0.00 -2.33 0.00 0.00 43.42 39.72 1u3n n LEU 128 CO 0.03 -2.20 -0.39 -1.83 -1.33 0.00 0.00 177.39 171.67 1u3n s GLU 129 N -0.76 0.59 0.36 3.23 -1.05 -1.26 -3.95 118.70 115.87 1u3n s GLU 129 Ca -0.02 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1u3n s GLU 129 Cb 0.00 -0.85 0.00 0.00 -0.44 0.00 0.00 34.13 32.84 1u3n s GLU 129 CO 0.14 -0.22 0.00 1.33 0.95 0.00 0.00 175.26 177.46 1u3n n VAL 130 N 4.73 -0.47 -1.11 1.83 0.24 -1.00 -4.23 118.33 118.33 1u3n n VAL 130 Ca -0.14 0.52 -0.33 0.00 -2.04 0.00 0.00 64.34 62.35 1u3n n VAL 130 Cb 0.50 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 1u3n n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u3n n GLY 131 N -3.44 3.83 2.17 7.63 0.00 -1.19 -3.35 105.19 110.85 1u3n n GLY 131 Ca -0.05 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1u3n n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3n n ALA 132 N 3.76 5.68 -1.33 4.61 0.00 -1.26 -4.83 120.51 127.15 1u3n n ALA 132 Ca 0.66 -3.07 -0.11 0.00 0.00 0.00 0.00 53.44 50.92 1u3n n ALA 132 Cb 0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 1u3n n ALA 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u3n n ASP 133 N -1.09 -5.43 -3.43 0.00 8.00 -1.26 -2.89 116.55 110.45 1u3n n ASP 133 Ca 0.59 0.28 -0.17 0.00 0.71 0.00 0.00 54.79 56.19 1u3n n ASP 133 Cb 1.39 -3.92 0.03 0.00 -0.02 0.00 0.00 41.12 38.59 1u3n n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u3n n GLY 134 N -0.17 -1.16 3.38 0.44 0.00 -1.25 -2.74 105.19 103.69 1u3n n GLY 134 Ca -0.11 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1u3n n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u3n n LYS 135 N -2.97 3.34 -4.47 1.61 5.02 -1.14 -3.91 118.16 115.64 1u3n n LYS 135 Ca -0.10 -3.61 -0.23 0.00 -2.02 0.00 0.00 58.31 52.35 1u3n n LYS 135 Cb 0.58 -3.15 -0.10 0.00 -0.02 0.00 0.00 35.03 32.34 1u3n n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1u3n s VAL 136 N 2.13 2.04 0.00 -0.18 -7.23 -1.26 -5.00 120.40 110.91 1u3n s VAL 136 Ca 0.45 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1u3n s VAL 136 Cb 0.01 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1u3n s VAL 136 CO 0.02 -0.32 0.00 -0.90 -0.31 0.00 0.00 175.10 173.59 1u3n n ASP 137 N -0.65 0.00 -3.64 4.85 5.75 -1.22 -3.46 116.55 118.17 1u3n n ASP 137 Ca -0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.43 1u3n n ASP 137 Cb 0.62 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.57 1u3n n ASP 137 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1u3n s VAL 138 N -1.51 0.65 -0.27 2.12 -7.23 -1.26 -4.93 120.40 107.97 1u3n s VAL 138 Ca 0.00 -1.54 0.20 0.00 -1.81 0.00 0.00 61.98 58.83 1u3n s VAL 138 Cb 0.00 -1.49 0.47 0.00 0.56 0.00 0.00 36.38 35.93 1u3n s VAL 138 CO 0.00 -0.79 1.23 2.30 -0.31 0.00 0.00 175.10 177.54 1u3n n ILE 139 N 4.54 0.87 -3.69 -0.62 -0.00 -1.26 -4.62 119.36 114.57 1u3n n ILE 139 Ca 0.02 -2.30 -0.10 0.00 -0.00 0.00 0.00 62.75 60.36 1u3n n ILE 139 Cb 0.40 1.21 -0.11 0.00 -0.00 0.00 0.00 39.64 41.14 1u3n n ILE 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1u3n s MET 140 N -2.57 0.38 -0.03 6.28 0.23 -1.26 -4.84 119.30 117.49 1u3n s MET 140 Ca 0.22 0.81 -0.02 0.00 -1.03 0.00 0.00 55.69 55.66 1u3n s MET 140 Cb 0.35 0.01 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1u3n s MET 140 CO -0.07 -0.17 0.05 -1.71 -2.03 0.00 0.00 175.02 171.09 1u3n n ASN 141 N 4.38 -4.77 -3.58 -1.18 2.85 -1.26 -5.06 115.26 106.64 1u3n n ASN 141 Ca -0.22 1.03 -0.05 0.00 -0.11 0.00 0.00 54.58 55.23 1u3n n ASN 141 Cb 0.55 -3.56 -0.07 0.00 1.24 0.00 0.00 39.78 37.94 1u3n n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u3n s ALA 142 N -0.37 -1.54 0.01 5.20 0.00 -1.26 -4.96 121.76 118.83 1u3n s ALA 142 Ca -0.06 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.46 1u3n s ALA 142 Cb 0.00 -1.58 -0.22 0.00 0.00 0.00 0.00 23.12 21.32 1u3n s ALA 142 CO 0.16 -0.91 1.13 -1.00 0.00 0.00 0.00 175.76 175.13 1u3n h PRO 143 N 8.10 0.39 0.00 0.00 0.13 -2.01 -3.40 132.00 135.21 1u3n h PRO 143 Ca -0.17 -0.38 -0.15 0.00 -0.87 0.00 0.00 66.00 64.43 1u3n h PRO 143 Cb 1.11 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1u3n h PRO 143 CO 0.14 1.04 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.61 1u3n n ASP 144 N -4.29 -1.58 -4.12 1.44 8.00 -1.26 -5.00 116.55 109.74 1u3n n ASP 144 Ca -0.10 -2.42 -0.43 0.00 0.71 0.00 0.00 54.79 52.55 1u3n n ASP 144 Cb 0.61 1.38 0.00 0.00 -0.02 0.00 0.00 41.12 43.09 1u3n n ASP 144 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1u3n n THR 145 N 0.51 4.21 -2.37 -3.53 -2.24 -1.26 -4.87 114.28 104.72 1u3n n THR 145 Ca -0.02 -4.38 -0.42 0.00 -2.27 0.00 0.00 64.05 56.96 1u3n n THR 145 Cb 0.74 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 1u3n n THR 145 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1u3n n SER 146 N 5.01 5.53 -1.97 3.42 7.64 -1.26 -4.58 113.62 127.42 1u3n n SER 146 Ca 0.40 -3.15 -0.12 0.00 1.01 0.00 0.00 58.87 57.01 1u3n n SER 146 Cb 0.39 -1.44 -0.12 0.00 -1.01 0.00 0.00 64.21 62.03 1u3n n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u3n n LEU 147 N 3.33 5.43 0.00 -3.43 -0.00 -1.26 -1.05 117.00 120.02 1u3n n LEU 147 Ca 0.40 -3.16 0.00 0.00 -0.00 0.00 0.00 56.01 53.25 1u3n n LEU 147 Cb 0.35 -1.34 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1u3n n LEU 147 CO 0.80 1.58 0.00 0.29 -0.00 0.00 0.00 177.39 180.06 1u3n n LYS 148 N 2.10 0.00 -4.29 1.47 4.01 -1.26 -4.80 118.16 115.38 1u3n n LYS 148 Ca 0.36 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.92 1u3n n LYS 148 Cb 0.80 -0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 35.24 1u3n n LYS 148 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1u3n s LYS 149 N 0.00 2.20 -0.84 1.97 -2.85 -1.26 -4.21 119.74 114.74 1u3n s LYS 149 Ca 0.00 -1.36 -0.28 0.00 -1.00 0.00 0.00 55.97 53.34 1u3n s LYS 149 Cb 0.00 -2.16 -0.26 0.00 -2.06 0.00 0.00 37.83 33.35 1u3n s LYS 149 CO 0.00 0.39 1.99 0.41 0.10 0.00 0.00 175.35 178.24 1u3n n GLY 150 N -0.51 -0.14 0.00 0.59 0.00 -1.26 -1.71 105.19 102.16 1u3n n GLY 150 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1u3n n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u3n n SER 151 N 17.17 0.00 -0.06 1.61 2.88 -1.26 -4.85 113.62 129.11 1u3n n SER 151 Ca 0.43 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 1u3n n SER 151 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 1u3n n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1u3n h LYS 152 N 0.00 0.00 0.00 -1.46 1.79 -1.62 -3.39 116.57 111.90 1u3n h LYS 152 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1u3n h LYS 152 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1u3n h LYS 152 CO 0.00 0.50 0.00 1.47 -1.08 0.00 0.00 179.45 180.34 1u3n n LEU 153 N -4.66 0.00 0.00 2.94 -0.00 -0.21 -4.71 117.00 110.35 1u3n n LEU 153 Ca -0.08 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 1u3n n LEU 153 Cb 0.28 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1u3n n LEU 153 CO 0.17 -0.22 0.00 -3.20 -0.00 0.00 0.00 177.39 174.14 1u3n n ASN 154 N -1.91 -4.90 -0.01 1.45 4.05 -1.26 -4.69 115.26 107.99 1u3n n ASN 154 Ca 0.00 0.00 0.03 0.00 0.45 0.00 0.00 54.58 55.06 1u3n n ASN 154 Cb 0.00 -2.73 -0.06 0.00 1.23 0.00 0.00 39.78 38.22 1u3n n ASN 154 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1u3n n ILE 155 N -2.22 0.05 -0.01 -1.44 0.00 -1.26 -5.00 119.36 109.48 1u3n n ILE 155 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 62.75 62.55 1u3n n ILE 155 Cb 0.35 0.21 0.00 0.00 0.00 0.00 0.00 39.64 40.20 1u3n n ILE 155 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1u3n n LEU 156 N -1.83 0.00 -3.91 9.51 4.77 -1.26 -5.01 117.00 119.26 1u3n n LEU 156 Ca -0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 1u3n n LEU 156 Cb 0.26 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1u3n n LEU 156 CO 0.17 0.00 -0.13 -1.81 -1.33 0.00 0.00 177.39 174.29 1u3n s ASP 157 N -1.00 4.44 0.00 -1.43 1.01 -1.26 -4.92 116.67 113.51 1u3n s ASP 157 Ca 0.00 -3.32 0.00 0.00 0.71 0.00 0.00 52.55 49.94 1u3n s ASP 157 Cb 0.00 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.33 1u3n s ASP 157 CO 0.00 -0.18 0.00 -0.62 0.21 0.00 0.00 175.17 174.58 1u3n n GLU 158 N 2.69 0.00 -0.02 8.23 4.71 -1.26 -1.47 120.64 133.51 1u3n n GLU 158 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 57.05 1u3n n GLU 158 Cb 0.33 0.00 -0.13 0.00 -1.01 0.00 0.00 31.44 30.63 1u3n n GLU 158 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1u3n n ASP 159 N 1.53 2.07 0.00 1.62 5.75 -1.26 -4.27 116.55 121.99 1u3n n ASP 159 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1u3n n ASP 159 Cb 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 41.12 39.23 1u3n n ASP 159 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u3n n GLY 160 N 1.89 1.18 2.29 6.12 0.00 -0.54 -4.06 105.19 112.08 1u3n n GLY 160 Ca -0.33 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.96 1u3n n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u3n n SER 161 N 0.00 -7.18 -2.73 1.61 3.41 -1.26 -3.74 113.62 103.73 1u3n n SER 161 Ca 0.00 1.67 -0.08 0.00 -0.26 0.00 0.00 58.87 60.19 1u3n n SER 161 Cb 0.00 -4.35 0.10 0.00 -0.26 0.00 0.00 64.21 59.69 1u3n n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u3n n ALA 162 N 1.90 0.35 -2.74 7.33 0.00 -1.26 -1.98 120.51 124.11 1u3n n ALA 162 Ca -0.01 -1.50 -0.09 0.00 0.00 0.00 0.00 53.44 51.84 1u3n n ALA 162 Cb 0.01 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 18.48 1u3n n ALA 162 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1u3n n PHE 163 N -0.09 -2.71 -3.72 0.00 3.72 -1.26 -4.52 117.46 108.88 1u3n n PHE 163 Ca 0.03 -2.17 -0.38 0.00 -0.05 0.00 0.00 57.45 54.88 1u3n n PHE 163 Cb 0.77 1.55 -0.12 0.00 -0.94 0.00 0.00 39.48 40.74 1u3n n PHE 163 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1u3n s ILE 164 N 0.15 4.21 -0.14 4.37 -4.36 -1.26 0.99 121.20 125.16 1u3n s ILE 164 Ca 0.23 -0.62 -0.12 0.00 -0.26 0.00 0.00 60.65 59.88 1u3n s ILE 164 Cb 0.31 -3.18 -0.05 0.00 1.25 0.00 0.00 42.46 40.79 1u3n s ILE 164 CO -0.06 0.05 0.24 -0.63 0.24 0.00 0.00 174.94 174.79 1u3n s ILE 165 N 1.54 5.33 0.00 8.37 1.09 0.57 -4.38 121.20 133.72 1u3n s ILE 165 Ca 0.03 0.45 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 1u3n s ILE 165 Cb -0.17 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1u3n s ILE 165 CO 0.04 0.47 0.00 0.00 -0.10 0.00 0.00 174.94 175.35 1u3n n HIS 166 N 3.04 0.00 0.00 3.97 1.44 -1.26 -2.08 115.22 120.33 1u3n n HIS 166 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1u3n n HIS 166 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1u3n n HIS 166 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1u3n n GLU 167 N -1.04 0.00 -2.15 -1.40 1.02 -1.26 -4.77 120.64 111.03 1u3n n GLU 167 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1u3n n GLU 167 Cb 0.00 -1.39 0.16 0.00 -0.02 0.00 0.00 31.44 30.19 1u3n n GLU 167 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1u3n s GLN 168 N 0.00 0.94 -0.34 3.49 -0.21 -1.26 -4.47 119.66 117.81 1u3n s GLN 168 Ca 0.00 -0.67 -0.04 0.00 0.02 0.00 0.00 55.36 54.67 1u3n s GLN 168 Cb 0.00 -2.00 0.05 0.00 1.00 0.00 0.00 33.01 32.06 1u3n s GLN 168 CO 0.00 -2.12 0.09 0.00 -2.12 0.00 0.00 175.29 171.14 1u3n s ALA 169 N -3.65 2.99 -0.27 6.09 0.00 -1.26 -3.75 121.76 121.91 1u3n s ALA 169 Ca 0.72 -1.88 0.19 0.00 0.00 0.00 0.00 51.96 50.99 1u3n s ALA 169 Cb -0.04 -2.19 0.50 0.00 0.00 0.00 0.00 23.12 21.38 1u3n s ALA 169 CO 0.50 -1.39 1.12 -0.40 0.00 0.00 0.00 175.76 175.58 1u3n n ASP 170 N 4.72 2.24 -3.16 0.00 5.75 -1.26 -4.04 116.55 120.80 1u3n n ASP 170 Ca -0.11 -2.41 0.05 0.00 -0.01 0.00 0.00 54.79 52.32 1u3n n ASP 170 Cb 0.44 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1u3n n ASP 170 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1u3n s ASP 171 N -3.73 -0.12 -0.88 -1.12 1.01 -1.26 -4.72 116.67 105.84 1u3n s ASP 171 Ca 0.32 0.09 -0.25 0.00 0.71 0.00 0.00 52.55 53.42 1u3n s ASP 171 Cb 0.35 1.11 0.03 0.00 1.01 0.00 0.00 42.92 45.41 1u3n s ASP 171 CO -0.02 -0.02 1.48 -0.47 0.21 0.00 0.00 175.17 176.35 1u3n s TYR 172 N 2.83 2.29 0.17 4.23 5.04 -1.26 -4.32 117.35 126.34 1u3n s TYR 172 Ca -0.07 -0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1u3n s TYR 172 Cb -0.07 -4.55 0.00 0.00 0.35 0.00 0.00 41.96 37.69 1u3n s TYR 172 CO -0.09 -1.99 0.00 1.28 -1.34 0.00 0.00 175.55 173.41 1u3n n LEU 173 N 9.95 -1.23 -3.41 6.97 4.77 -1.26 -5.10 117.00 127.70 1u3n n LEU 173 Ca 0.23 0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 56.19 1u3n n LEU 173 Cb 0.50 1.37 0.03 0.00 -2.33 0.00 0.00 43.42 42.99 1u3n n LEU 173 CO 0.67 -0.31 -0.25 1.07 -1.33 0.00 0.00 177.39 177.24 1u3n n THR 174 N -2.90 -4.76 0.00 -5.08 5.66 -1.26 -4.64 114.28 101.30 1u3n n THR 174 Ca 0.00 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1u3n n THR 174 Cb 0.00 -4.00 0.00 0.00 -1.55 0.00 0.00 70.33 64.78 1u3n n THR 174 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1u3n n ASN 175 N -0.12 0.00 0.07 1.09 4.13 -1.26 -4.99 115.26 114.18 1u3n n ASN 175 Ca -0.06 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.13 1u3n n ASN 175 Cb 0.65 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.84 1u3n n ASN 175 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1u3n h PRO 176 N 0.00 -0.27 0.00 3.52 0.13 -2.01 -3.47 132.00 129.90 1u3n h PRO 176 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1u3n h PRO 176 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1u3n h PRO 176 CO 0.00 -0.04 0.00 0.45 -0.23 0.00 0.00 178.00 178.18 1u3n n SER 177 N -4.96 0.00 0.00 1.44 2.88 -1.26 -5.15 113.62 106.58 1u3n n SER 177 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1u3n n SER 177 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1u3n n SER 177 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u3n n GLY 178 N 0.00 -3.19 0.00 0.46 0.00 -1.26 -4.89 105.19 96.31 1u3n n GLY 178 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1u3n n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u3n n ASN 179 N 0.00 0.00 -2.83 1.61 5.03 -1.26 -4.72 115.26 113.09 1u3n n ASN 179 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1u3n n ASN 179 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1u3n n ASN 179 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1u3n n SER 180 N 0.00 -2.47 0.00 6.41 7.64 -1.25 -4.39 113.62 119.56 1u3n n SER 180 Ca 0.00 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1u3n n SER 180 Cb 0.00 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 1u3n n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u3n n GLY 181 N 1.82 3.22 0.34 0.23 0.00 -1.26 -4.42 105.19 105.11 1u3n n GLY 181 Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1u3n n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3n n ALA 182 N 0.00 -0.88 -1.82 4.61 0.00 -1.26 -4.68 120.51 116.48 1u3n n ALA 182 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1u3n n ALA 182 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1u3n n ALA 182 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1u3n s ARG 183 N -3.47 3.86 0.00 0.00 1.70 -1.26 -4.39 118.95 115.38 1u3n s ARG 183 Ca 0.00 2.19 0.00 0.00 -0.47 0.00 0.00 55.73 57.45 1u3n s ARG 183 Cb 0.00 -4.15 0.00 0.00 -0.57 0.00 0.00 34.95 30.23 1u3n s ARG 183 CO 0.00 -1.26 0.00 -0.89 -1.08 0.00 0.00 175.30 172.07 1u3n n ILE 184 N 6.20 0.00 -3.67 4.99 -0.00 -1.25 -5.02 119.36 120.61 1u3n n ILE 184 Ca 0.21 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.57 1u3n n ILE 184 Cb 0.43 -0.65 -0.12 0.00 -0.00 0.00 0.00 39.64 39.31 1u3n n ILE 184 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1u3n s VAL 185 N -0.32 4.25 0.25 1.39 0.11 -0.88 -4.94 120.40 120.25 1u3n s VAL 185 Ca 0.00 -0.91 0.09 0.00 -2.93 0.00 0.00 61.98 58.23 1u3n s VAL 185 Cb 0.00 -3.36 -0.05 0.00 -1.53 0.00 0.00 36.38 31.44 1u3n s VAL 185 CO 0.00 -0.17 -0.14 0.00 -3.33 0.00 0.00 175.10 171.46 1u3n n GLY 187 N -0.51 0.02 3.01 0.00 0.00 0.28 -4.51 105.19 103.48 1u3n n GLY 187 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1u3n n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3n n ALA 188 N 0.00 -0.63 -2.43 4.61 0.00 -1.21 -3.86 120.51 117.00 1u3n n ALA 188 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 1u3n n ALA 188 Cb 0.58 -0.85 0.04 0.00 0.00 0.00 0.00 19.45 19.22 1u3n n ALA 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u3n n LEU 189 N -1.09 -3.94 -3.84 0.00 4.77 -1.26 -4.53 117.00 107.11 1u3n n LEU 189 Ca 0.06 -0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.31 1u3n n LEU 189 Cb 0.35 -1.94 0.03 0.00 -2.33 0.00 0.00 43.42 39.52 1u3n n LEU 189 CO 0.24 0.05 -1.05 0.00 -1.33 0.00 0.00 177.39 175.30 1u3n n LEU 190 N -2.42 -4.99 -4.55 2.23 -0.00 -1.26 -4.11 117.00 101.90 1u3n n LEU 190 Ca -0.04 0.31 -0.41 0.00 -0.00 0.00 0.00 56.01 55.88 1u3n n LEU 190 Cb 0.56 -0.74 -0.04 0.00 -0.00 0.00 0.00 43.42 43.20 1u3n n LEU 190 CO 0.31 -5.32 1.95 0.61 -0.00 0.00 0.00 177.39 174.94 1u3n n GLY 191 N 3.00 0.50 3.33 1.47 0.00 -1.26 -4.56 105.19 107.66 1u3n n GLY 191 Ca 0.01 0.76 -0.17 0.00 0.00 0.00 0.00 46.02 46.62 1u3n n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u3n s ASN 192 N 10.03 1.92 -0.45 1.61 4.22 -1.26 -4.78 114.94 126.23 1u3n s ASN 192 Ca 1.03 -1.20 0.05 0.00 -2.14 0.00 0.00 52.86 50.60 1u3n s ASN 192 Cb -0.38 -0.01 0.18 0.00 1.28 0.00 0.00 41.25 42.32 1u3n s ASN 192 CO 0.34 -0.48 0.49 0.21 -2.04 0.00 0.00 177.10 175.62 1u3n s ASN 193 N -3.31 0.32 -0.48 3.54 2.47 -1.26 -4.88 114.94 111.35 1u3n s ASN 193 Ca 0.27 -2.49 -0.42 0.00 0.42 0.00 0.00 52.86 50.64 1u3n s ASN 193 Cb 0.05 0.50 -0.18 0.00 -1.45 0.00 0.00 41.25 40.17 1u3n s ASN 193 CO 0.08 -0.13 1.99 1.21 -3.72 0.00 0.00 177.10 176.53 1u3n n GLU 194 N 2.96 0.00 -2.70 0.43 4.07 -1.26 -4.78 120.64 119.36 1u3n n GLU 194 Ca 0.24 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.28 1u3n n GLU 194 Cb 0.51 -1.43 0.06 0.00 -0.06 0.00 0.00 31.44 30.52 1u3n n GLU 194 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1u3n n LYS 195 N 6.83 0.42 0.00 5.31 4.76 -1.26 -5.22 118.16 129.00 1u3n n LYS 195 Ca 0.50 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1u3n n LYS 195 Cb -0.04 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 1u3n n LYS 195 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97