#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 0.00 -4.04 2.52 3.14 -1.26 -5.15 118.33 113.55 1u3n n VAL 36 Ca 0.00 -1.12 -0.11 0.00 -2.96 0.00 0.00 64.34 60.15 1u3n n VAL 36 Cb 0.00 0.91 -0.04 0.00 -1.06 0.00 0.00 33.84 33.66 1u3n n VAL 36 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1u3n n GLU 37 N -0.36 0.37 -4.32 1.45 1.02 -1.26 -5.18 120.64 112.36 1u3n n GLU 37 Ca -0.11 -2.02 -0.18 0.00 -0.02 0.00 0.00 57.16 54.83 1u3n n GLU 37 Cb 0.75 1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 33.87 1u3n n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1u3n s THR 38 N -2.78 1.63 0.40 2.62 -1.32 -1.26 -5.16 115.64 109.77 1u3n s THR 38 Ca 0.23 -2.15 0.01 0.00 -1.21 0.00 0.00 61.69 58.58 1u3n s THR 38 Cb 0.00 -1.97 0.08 0.00 -1.51 0.00 0.00 72.50 69.10 1u3n s THR 38 CO 0.16 -0.59 0.55 -1.20 -2.21 0.00 0.00 174.62 171.33 1u3n n SER 39 N -0.26 0.91 -0.07 8.08 7.64 -1.26 -5.04 113.62 123.61 1u3n n SER 39 Ca -0.09 -1.73 -0.07 0.00 1.01 0.00 0.00 58.87 57.99 1u3n n SER 39 Cb 0.60 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1u3n n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u3n n ALA 40 N -2.85 1.68 -0.15 -0.43 0.00 -1.26 -5.09 120.51 112.40 1u3n n ALA 40 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1u3n n ALA 40 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 1u3n n ALA 40 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1u3n n PHE 41 N -2.53 -1.26 -3.05 0.00 -1.74 -1.24 -4.76 117.46 102.86 1u3n n PHE 41 Ca -0.23 0.03 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1u3n n PHE 41 Cb 0.96 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.95 1u3n n PHE 41 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1u3n n GLY 42 N -0.11 4.70 2.47 4.97 0.00 -1.23 -3.38 105.19 112.60 1u3n n GLY 42 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1u3n n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u3n n HIS 43 N 0.00 -3.46 -2.71 1.61 8.25 -1.26 -4.87 115.22 112.79 1u3n n HIS 43 Ca 0.00 -0.66 -0.43 0.00 -0.26 0.00 0.00 57.72 56.37 1u3n n HIS 43 Cb 0.00 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.19 1u3n n HIS 43 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1u3n n HIS 44 N -4.90 3.95 -3.88 4.41 1.44 -1.26 -4.86 115.22 110.11 1u3n n HIS 44 Ca 0.11 -3.10 -0.29 0.00 -2.01 0.00 0.00 57.72 52.43 1u3n n HIS 44 Cb 0.45 -2.00 -0.13 0.00 0.12 0.00 0.00 29.99 28.43 1u3n n HIS 44 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1u3n s VAL 45 N 0.64 2.45 -0.55 0.61 0.11 -1.26 -4.41 120.40 118.00 1u3n s VAL 45 Ca 0.40 -3.52 -0.17 0.00 -2.93 0.00 0.00 61.98 55.75 1u3n s VAL 45 Cb 0.03 -2.67 0.11 0.00 -1.53 0.00 0.00 36.38 32.32 1u3n s VAL 45 CO 0.01 -0.90 0.58 -1.10 -3.33 0.00 0.00 175.10 170.36 1u3n s GLN 46 N -0.59 3.02 -1.15 1.54 -1.52 -1.26 -4.08 119.66 115.62 1u3n s GLN 46 Ca 0.20 -1.46 -0.19 0.00 -1.95 0.00 0.00 55.36 51.96 1u3n s GLN 46 Cb -0.17 -4.26 0.09 0.00 -0.22 0.00 0.00 33.01 28.45 1u3n s GLN 46 CO -0.06 -1.38 1.51 -0.51 -0.25 0.00 0.00 175.29 174.60 1u3n s LEU 47 N 2.12 4.11 -0.27 2.90 2.01 -1.26 -3.77 118.68 124.53 1u3n s LEU 47 Ca 0.07 -2.18 -0.03 0.00 0.01 0.00 0.00 54.13 52.00 1u3n s LEU 47 Cb -0.26 -2.52 0.02 0.00 0.01 0.00 0.00 46.19 43.44 1u3n s LEU 47 CO 0.05 -1.19 -0.01 -0.69 1.01 0.00 0.00 176.35 175.52 1u3n s VAL 48 N 3.79 3.21 0.32 -1.59 1.01 -1.26 -1.67 120.40 124.20 1u3n s VAL 48 Ca 0.47 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1u3n s VAL 48 Cb 0.00 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1u3n s VAL 48 CO -0.01 0.14 0.79 0.20 0.00 0.00 0.00 175.10 176.22 1u3n s ASN 49 N 1.37 6.92 0.00 3.32 0.01 -1.17 -4.34 114.94 121.05 1u3n s ASN 49 Ca 0.00 1.44 0.09 0.00 -0.71 0.00 0.00 52.86 53.68 1u3n s ASN 49 Cb -0.17 -2.43 0.50 0.00 0.41 0.00 0.00 41.25 39.56 1u3n s ASN 49 CO -0.02 -0.17 1.33 0.54 -1.51 0.00 0.00 177.10 177.28 1u3n n ARG 50 N -0.08 1.10 -0.01 -0.60 1.74 -1.22 -3.32 116.66 114.27 1u3n n ARG 50 Ca 0.03 -0.15 -0.02 0.00 -0.77 0.00 0.00 57.85 56.93 1u3n n ARG 50 Cb 0.53 -1.16 -0.01 0.00 -1.02 0.00 0.00 32.46 30.80 1u3n n ARG 50 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u3n n GLU 51 N -0.49 0.10 0.00 5.56 -0.58 -1.26 -4.93 120.64 119.04 1u3n n GLU 51 Ca 0.07 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1u3n n GLU 51 Cb 0.07 -0.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 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 1.95 0.84 0.00 0.62 0.00 -1.26 -4.30 105.19 103.05 1u3n n GLY 52 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.03 0.00 0.00 1.61 0.00 -1.21 -4.97 118.16 112.56 1u3n n LYS 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1u3n n LYS 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1u3n n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1u3n n ALA 54 N -0.42 0.00 0.28 3.14 0.00 -1.26 -3.03 120.51 119.22 1u3n n ALA 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1u3n n ALA 54 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1u3n n ALA 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u3n n VAL 55 N -0.12 0.00 0.00 0.00 0.24 -0.67 -3.98 118.33 113.80 1u3n n VAL 55 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1u3n n VAL 55 Cb 0.00 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 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 1.53 -0.53 0.00 7.63 0.00 -1.24 0.51 105.19 113.08 1u3n n GLY 56 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.80 1.61 1.16 -1.20 -4.45 117.46 110.77 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 3.93 -0.47 1.97 1.09 -1.26 -4.22 121.20 120.24 1u3n s ILE 58 Ca 0.00 -0.39 0.06 0.00 -1.10 0.00 0.00 60.65 59.22 1u3n s ILE 58 Cb 0.00 -2.87 0.18 0.00 -1.06 0.00 0.00 42.46 38.72 1u3n s ILE 58 CO 0.00 0.31 0.60 -1.61 -0.10 0.00 0.00 174.94 174.14 1u3n s GLU 59 N 1.54 0.97 0.25 2.79 2.02 -1.25 -3.54 118.70 121.49 1u3n s GLU 59 Ca 0.05 -1.18 -0.07 0.00 0.02 0.00 0.00 54.97 53.79 1u3n s GLU 59 Cb -0.15 -0.39 0.03 0.00 0.10 0.00 0.00 34.13 33.72 1u3n s GLU 59 CO 0.01 -1.31 0.46 0.44 0.02 0.00 0.00 175.26 174.88 1u3n n ILE 60 N 3.21 0.00 -5.08 -1.63 -6.64 -1.22 -4.65 119.36 103.36 1u3n n ILE 60 Ca 0.19 -0.81 -0.28 0.00 -1.77 0.00 0.00 62.75 60.08 1u3n n ILE 60 Cb 0.53 0.68 -0.16 0.00 -1.44 0.00 0.00 39.64 39.25 1u3n n ILE 60 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1u3n s LYS 61 N -2.20 1.82 0.68 6.28 0.00 -1.26 -3.69 119.74 121.38 1u3n s LYS 61 Ca 0.13 -0.78 -0.17 0.00 0.00 0.00 0.00 55.97 55.15 1u3n s LYS 61 Cb -0.02 -1.73 0.01 0.00 0.00 0.00 0.00 37.83 36.08 1u3n s LYS 61 CO 0.10 0.45 1.28 0.39 0.00 0.00 0.00 175.35 177.57 1u3n n GLU 62 N 2.60 0.92 -3.89 1.78 1.02 -1.26 -3.40 120.64 118.41 1u3n n GLU 62 Ca -0.16 0.37 -0.36 0.00 -0.02 0.00 0.00 57.16 57.00 1u3n n GLU 62 Cb 0.52 -2.52 -0.12 0.00 -0.02 0.00 0.00 31.44 29.31 1u3n n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1u3n s SER 63 N -1.54 5.32 -0.83 1.62 1.04 0.20 -4.85 113.70 114.65 1u3n s SER 63 Ca 0.81 -0.09 -0.06 0.00 0.48 0.00 0.00 55.95 57.08 1u3n s SER 63 Cb -0.36 -1.94 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 1u3n s SER 63 CO 0.42 0.05 2.01 0.47 0.98 0.00 0.00 173.24 177.17 1u3n n ASP 64 N 4.36 4.39 0.07 7.02 8.00 -1.26 -3.19 116.55 135.94 1u3n n ASP 64 Ca -0.16 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.02 1u3n n ASP 64 Cb 0.52 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1u3n n ASP 64 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1u3n n ASP 65 N 4.49 -1.01 -1.95 -2.24 2.03 -1.26 -5.17 116.55 111.43 1u3n n ASP 65 Ca 0.41 0.27 -0.06 0.00 0.52 0.00 0.00 54.79 55.93 1u3n n ASP 65 Cb 0.14 1.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 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 -2.83 0.49 0.00 -0.67 1.02 -1.19 -5.11 120.64 112.35 1u3n n GLU 66 Ca 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 1u3n n GLU 66 Cb 0.00 1.40 0.00 0.00 -0.02 0.00 0.00 31.44 32.82 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 -0.28 2.56 0.00 0.62 0.00 -1.26 -4.42 105.19 102.41 1u3n n GLY 67 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1u3n n GLY 67 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1u3n n LEU 68 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.09 117.00 112.64 1u3n n LEU 68 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 1u3n n LEU 68 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.56 1u3n n LEU 68 CO 0.00 0.00 0.60 0.47 -0.00 0.00 0.00 177.39 178.46 1u3n n ASP 69 N 0.00 0.16 -2.55 1.45 9.92 -1.26 0.60 116.55 124.87 1u3n n ASP 69 Ca 0.00 -1.38 -0.29 0.00 -0.53 0.00 0.00 54.79 52.59 1u3n n ASP 69 Cb 0.00 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.79 1u3n n ASP 69 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1u3n n ILE 70 N -3.21 2.56 0.00 0.53 -6.64 -1.22 -4.68 119.36 106.70 1u3n n ILE 70 Ca 0.12 -4.87 0.00 0.00 -1.77 0.00 0.00 62.75 56.23 1u3n n ILE 70 Cb 0.41 -1.27 0.00 0.00 -1.44 0.00 0.00 39.64 37.34 1u3n n ILE 70 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1u3n n HIS 71 N -0.48 0.00 -2.55 4.28 -0.00 -1.26 -4.88 115.22 110.33 1u3n n HIS 71 Ca 0.41 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 58.25 1u3n n HIS 71 Cb 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 1u3n n HIS 71 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1u3n n ILE 72 N 0.00 3.94 -3.30 3.57 -0.00 -1.26 -3.76 119.36 118.54 1u3n n ILE 72 Ca 0.00 -5.31 -0.21 0.00 -0.00 0.00 0.00 62.75 57.23 1u3n n ILE 72 Cb 0.00 -1.39 0.02 0.00 -0.00 0.00 0.00 39.64 38.28 1u3n n ILE 72 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1u3n s SER 73 N -2.38 5.09 0.00 7.28 1.04 -1.26 -4.67 113.70 118.79 1u3n s SER 73 Ca 0.46 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1u3n s SER 73 Cb 0.31 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1u3n s SER 73 CO -0.20 -1.09 0.00 0.00 0.98 0.00 0.00 173.24 172.93 1u3n n ALA 74 N -1.97 0.00 0.00 5.32 0.00 -1.24 -3.26 120.51 119.37 1u3n n ALA 74 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1u3n n ALA 74 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1u3n n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u3n n ASN 75 N 0.00 0.00 -4.58 0.00 3.02 0.12 -4.71 115.26 109.11 1u3n n ASN 75 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1u3n n ASN 75 Cb 0.00 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1u3n n ASN 75 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1u3n s SER 76 N -1.68 5.18 -0.01 6.41 1.04 0.18 -4.64 113.70 120.18 1u3n s SER 76 Ca 0.00 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 1u3n s SER 76 Cb 0.00 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.61 1u3n s SER 76 CO 0.00 -2.27 -0.01 0.18 0.98 0.00 0.00 173.24 172.12 1u3n n LEU 77 N 12.95 0.10 0.00 2.42 4.32 -1.23 -3.63 117.00 131.92 1u3n n LEU 77 Ca 0.29 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 1u3n n LEU 77 Cb 0.49 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1u3n n LEU 77 CO 0.69 -0.50 0.00 0.54 -1.22 0.00 0.00 177.39 176.90 1u3n n ARG 78 N -2.42 0.00 -0.55 3.23 1.74 -1.26 -4.85 116.66 112.54 1u3n n ARG 78 Ca -0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 1u3n n ARG 78 Cb 0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.40 1u3n n ARG 78 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1u3n n PRO 79 N 0.00 1.10 -3.62 5.56 -0.04 -1.26 -4.72 135.00 132.02 1u3n n PRO 79 Ca 0.00 -0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 62.91 1u3n n PRO 79 Cb 0.00 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 1u3n n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u3n n GLY 80 N 2.09 -0.14 3.94 0.55 0.00 -1.26 -4.87 105.19 105.50 1u3n n GLY 80 Ca 0.15 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 1u3n n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3n s ALA 81 N -3.87 2.64 0.25 4.61 0.00 -1.26 -4.93 121.76 119.20 1u3n s ALA 81 Ca 0.05 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 1u3n s ALA 81 Cb -0.03 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 1u3n s ALA 81 CO 0.58 -2.09 0.54 -1.12 0.00 0.00 0.00 175.76 173.67 1u3n s SER 82 N -4.81 6.55 0.11 0.00 0.01 -1.26 -4.38 113.70 109.91 1u3n s SER 82 Ca 0.70 0.82 0.05 0.00 1.31 0.00 0.00 55.95 58.83 1u3n s SER 82 Cb -0.05 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1u3n s SER 82 CO 0.50 -0.11 -0.12 -0.76 0.41 0.00 0.00 173.24 173.16 1u3n s LEU 83 N -3.09 2.40 -0.49 2.44 2.01 -1.26 -3.95 118.68 116.74 1u3n s LEU 83 Ca 0.46 -0.81 0.06 0.00 0.01 0.00 0.00 54.13 53.85 1u3n s LEU 83 Cb -0.11 -0.40 0.23 0.00 0.01 0.00 0.00 46.19 45.91 1u3n s LEU 83 CO 0.25 -0.21 0.83 0.61 1.01 0.00 0.00 176.35 178.83 1u3n n GLY 84 N 0.55 -0.04 3.92 -3.19 0.00 -1.26 -4.80 105.19 100.36 1u3n n GLY 84 Ca -0.16 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1u3n n GLY 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u3n s PHE 85 N 0.69 2.98 0.00 1.61 -0.71 -1.26 -4.21 117.98 117.08 1u3n s PHE 85 Ca 0.32 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 1u3n s PHE 85 Cb 0.16 -1.91 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 1u3n s PHE 85 CO -0.19 0.07 0.00 0.72 -1.34 0.00 0.00 175.22 174.48 1u3n n HIS 86 N -1.51 0.00 -1.96 3.49 8.25 -1.26 -4.90 115.22 117.33 1u3n n HIS 86 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1u3n n HIS 86 Cb 0.59 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 1u3n n HIS 86 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u3n s ILE 87 N 0.00 3.42 0.32 1.59 1.09 -1.26 -4.69 121.20 121.67 1u3n s ILE 87 Ca 0.00 0.41 -0.15 0.00 -1.10 0.00 0.00 60.65 59.81 1u3n s ILE 87 Cb 0.00 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.81 1u3n s ILE 87 CO 0.00 -0.42 0.66 -0.72 -0.10 0.00 0.00 174.94 174.36 1u3n s TYR 88 N 7.38 0.21 0.00 3.97 1.13 -1.26 -5.01 117.35 123.77 1u3n s TYR 88 Ca 0.80 -0.69 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 1u3n s TYR 88 Cb -0.22 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 1u3n s TYR 88 CO 0.32 -1.29 0.00 0.39 -2.51 0.00 0.00 175.55 172.46 1u3n n GLU 89 N -0.48 0.00 -2.14 -3.49 -0.58 -1.26 -4.70 120.64 107.98 1u3n n GLU 89 Ca -0.04 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.43 1u3n n GLU 89 Cb 0.60 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.54 1u3n n GLU 89 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1u3n s LYS 90 N 0.00 2.17 0.34 3.49 -2.85 -1.26 -4.16 119.74 117.47 1u3n s LYS 90 Ca 0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 55.97 54.76 1u3n s LYS 90 Cb 0.00 -2.13 0.07 0.00 -2.06 0.00 0.00 37.83 33.72 1u3n s LYS 90 CO 0.00 -1.30 0.16 0.41 0.10 0.00 0.00 175.35 174.72 1u3n n GLY 91 N -3.00 -2.18 3.08 0.59 0.00 -0.92 -4.77 105.19 98.00 1u3n n GLY 91 Ca 0.08 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1u3n n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u3n s SER 92 N -1.77 -0.24 -0.03 1.61 0.15 -1.26 -4.99 113.70 107.16 1u3n s SER 92 Ca 0.12 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 1u3n s SER 92 Cb -0.02 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1u3n s SER 92 CO 0.10 -0.11 0.03 0.00 1.20 0.00 0.00 173.24 174.46 1u3n n VAL 94 N -0.24 0.00 -3.81 0.00 3.14 -1.26 -4.83 118.33 111.32 1u3n n VAL 94 Ca 0.01 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.26 1u3n n VAL 94 Cb 0.02 -0.19 -0.12 0.00 -1.06 0.00 0.00 33.84 32.49 1u3n n VAL 94 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1u3n s ARG 95 N -2.00 0.22 -0.36 1.45 1.81 -1.26 -5.12 118.95 113.70 1u3n s ARG 95 Ca 0.00 0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.97 1u3n s ARG 95 Cb 0.00 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1u3n s ARG 95 CO 0.00 -0.03 1.38 -1.25 -0.68 0.00 0.00 175.30 174.72 1u3n s PRO 96 N 0.07 3.71 -0.29 3.54 0.04 -1.26 -4.93 135.00 135.89 1u3n s PRO 96 Ca -0.00 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 1u3n s PRO 96 Cb -0.01 -3.97 0.19 0.00 0.04 0.00 0.00 34.50 30.75 1u3n s PRO 96 CO 0.00 -1.38 1.42 0.34 0.04 0.00 0.00 177.00 177.42 1u3n s ASP 97 N 3.51 -0.06 -0.07 6.66 2.15 -1.26 -5.11 116.67 122.50 1u3n s ASP 97 Ca 0.60 0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.63 1u3n s ASP 97 Cb -0.15 0.10 0.02 0.00 -0.30 0.00 0.00 42.92 42.59 1u3n s ASP 97 CO 0.29 -0.02 0.10 0.49 -0.17 0.00 0.00 175.17 175.86 1u3n n PHE 98 N 1.43 -3.35 0.28 -5.34 3.01 -1.26 -4.90 117.46 107.33 1u3n n PHE 98 Ca -0.09 1.97 -0.16 0.00 1.01 0.00 0.00 57.45 60.18 1u3n n PHE 98 Cb 0.57 -3.08 -0.08 0.00 -0.01 0.00 0.00 39.48 36.88 1u3n n PHE 98 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1u3n h GLU 99 N 4.33 -0.66 -4.01 -1.08 4.39 -2.00 -3.45 114.58 112.10 1u3n h GLU 99 Ca -0.23 0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.35 1u3n h GLU 99 Cb 0.53 0.15 -0.20 0.00 -0.10 0.00 0.00 28.75 29.13 1u3n h GLU 99 CO 0.00 -0.38 -0.69 -1.54 -1.16 0.00 0.00 179.01 175.24 1u3n s SER 100 N -4.67 0.27 0.00 1.42 1.04 -1.26 -5.05 113.70 105.45 1u3n s SER 100 Ca -0.16 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1u3n s SER 100 Cb 0.03 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1u3n s SER 100 CO 0.58 -0.35 0.00 0.00 0.98 0.00 0.00 173.24 174.45 1u3n n ALA 101 N 1.35 0.00 -1.00 5.32 0.00 -1.26 -5.10 120.51 119.82 1u3n n ALA 101 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1u3n n ALA 101 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.08 -1.32 4.70 0.00 0.00 -1.26 -4.96 105.19 101.27 1u3n n GLY 102 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.05 -0.43 3.78 -0.02 0.00 -1.26 -4.78 105.19 103.52 1u3n n GLY 103 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1u3n n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u3n s PRO 104 N -0.50 0.42 -0.25 1.61 0.04 -1.26 -5.10 135.00 129.96 1u3n s PRO 104 Ca 0.00 0.01 -0.28 0.00 0.04 0.00 0.00 61.00 60.78 1u3n s PRO 104 Cb 0.00 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.92 1u3n s PRO 104 CO 0.00 -2.63 1.20 0.12 0.04 0.00 0.00 177.00 175.73 1u3n s PHE 105 N -3.38 -0.24 0.00 0.56 5.36 -1.26 -5.09 117.98 113.93 1u3n s PHE 105 Ca 0.68 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 1u3n s PHE 105 Cb -0.11 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1u3n s PHE 105 CO 0.54 -0.17 0.00 -1.71 -1.46 0.00 0.00 175.22 172.42 1u3n n ASN 106 N 1.22 0.00 -4.72 6.13 5.15 -1.26 -4.82 115.26 116.96 1u3n n ASN 106 Ca -0.08 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.48 1u3n n ASN 106 Cb 0.57 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.79 1u3n n ASN 106 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1u3n s PRO 107 N 0.00 4.47 0.00 1.20 0.04 -1.26 -4.99 135.00 134.46 1u3n s PRO 107 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1u3n s PRO 107 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1u3n s PRO 107 CO 0.00 -0.18 0.05 1.28 0.04 0.00 0.00 177.00 178.19 1u3n n LEU 108 N 3.65 0.00 -2.85 -3.56 4.77 -1.26 -4.91 117.00 112.84 1u3n n LEU 108 Ca 0.08 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1u3n n LEU 108 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1u3n n LEU 108 CO 0.55 0.00 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.19 1u3n n ASN 109 N -0.10 -7.82 -3.79 -1.43 5.15 -1.26 -3.87 115.26 102.14 1u3n n ASN 109 Ca 0.00 0.87 -0.36 0.00 -0.60 0.00 0.00 54.58 54.49 1u3n n ASN 109 Cb 0.00 -5.03 0.04 0.00 -0.53 0.00 0.00 39.78 34.26 1u3n n ASN 109 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1u3n n LYS 110 N 0.19 -1.00 0.00 1.20 5.02 -1.26 -4.58 118.16 117.72 1u3n n LYS 110 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1u3n n LYS 110 Cb 0.29 -3.71 0.00 0.00 -0.02 0.00 0.00 35.03 31.58 1u3n n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u3n n GLU 111 N -4.42 0.00 -0.39 1.97 -0.58 -1.25 -3.39 120.64 112.58 1u3n n GLU 111 Ca -0.10 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.72 1u3n n GLU 111 Cb 0.58 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.72 1u3n n GLU 111 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1u3n n HIS 112 N -0.55 0.97 -0.40 -0.32 -0.00 -1.26 -4.83 115.22 108.82 1u3n n HIS 112 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.72 57.30 1u3n n HIS 112 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 29.88 1u3n n HIS 112 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1u3n n GLY 113 N 1.15 -3.64 2.21 1.57 0.00 -1.22 -4.67 105.19 100.58 1u3n n GLY 113 Ca 0.19 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.12 -0.89 -1.78 1.61 -0.00 -1.26 -4.69 117.46 110.32 1u3n n PHE 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1u3n n PHE 114 Cb 0.00 -2.67 0.01 0.00 -0.00 0.00 0.00 39.48 36.82 1u3n n PHE 114 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1u3n n ASN 115 N -1.13 0.13 -0.21 -2.13 4.13 -1.26 -4.83 115.26 109.95 1u3n n ASN 115 Ca -0.14 -1.89 -0.09 0.00 1.68 0.00 0.00 54.58 54.14 1u3n n ASN 115 Cb 0.52 -0.18 0.03 0.00 -1.54 0.00 0.00 39.78 38.61 1u3n n ASN 115 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1u3n h ASN 116 N 0.00 1.03 0.20 6.41 -1.24 -1.86 1.40 115.58 121.53 1u3n h ASN 116 Ca 0.00 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 56.70 1u3n h ASN 116 Cb 1.31 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.08 1u3n h ASN 116 CO 0.00 1.07 -0.10 1.55 -1.29 0.00 0.00 177.43 178.67 1u3n h PRO 117 N 0.96 -0.26 0.00 6.67 0.13 -1.99 -3.30 132.00 134.21 1u3n h PRO 117 Ca 0.18 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1u3n h PRO 117 Cb 0.53 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1u3n h PRO 117 CO 0.03 -0.02 -0.16 0.00 -0.23 0.00 0.00 178.00 177.61 1u3n h MET 118 N -1.02 0.00 0.00 0.86 -0.00 -1.89 -3.48 114.93 109.41 1u3n h MET 118 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1u3n h MET 118 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 1u3n h MET 118 CO 0.05 0.16 0.00 0.41 -0.00 0.00 0.00 176.91 177.53 1u3n n GLY 119 N -0.63 2.64 2.88 -3.00 0.00 0.44 -4.96 105.19 102.56 1u3n n GLY 119 Ca -0.02 -1.20 -0.49 0.00 0.00 0.00 0.00 46.02 44.31 1u3n n GLY 119 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u3n n HIS 120 N 1.36 0.91 -0.15 1.61 1.44 0.88 -4.68 115.22 116.59 1u3n n HIS 120 Ca 0.00 0.61 0.28 0.00 -2.01 0.00 0.00 57.72 56.60 1u3n n HIS 120 Cb 0.00 -2.02 0.72 0.00 0.12 0.00 0.00 29.99 28.81 1u3n n HIS 120 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1u3n h HIS 121 N 8.37 0.00 0.00 -1.40 3.86 -1.88 -3.45 115.15 120.65 1u3n h HIS 121 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1u3n h HIS 121 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1u3n h HIS 121 CO 0.88 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.67 1u3n n ALA 122 N -2.63 0.00 -0.53 2.45 0.00 -1.26 0.23 120.51 118.77 1u3n n ALA 122 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 1u3n n ALA 122 Cb 0.97 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.45 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 0.00 2.52 1.37 0.00 0.00 -1.26 -4.94 105.19 102.89 1u3n n GLY 123 Ca 0.00 -0.29 0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.64 -7.94 -4.34 1.61 4.64 0.14 -4.95 116.55 105.07 1u3n n ASP 124 Ca 0.04 0.92 -0.21 0.00 -1.38 0.00 0.00 54.79 54.16 1u3n n ASP 124 Cb 0.41 -4.41 -0.11 0.00 -1.04 0.00 0.00 41.12 35.97 1u3n n ASP 124 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 1u3n s LEU 125 N -6.82 2.47 0.91 -2.67 2.34 -1.26 -5.15 118.68 108.50 1u3n s LEU 125 Ca 0.00 -0.90 -0.12 0.00 0.06 0.00 0.00 54.13 53.17 1u3n s LEU 125 Cb 0.00 -0.82 0.14 0.00 -0.56 0.00 0.00 46.19 44.95 1u3n s LEU 125 CO 0.00 -0.05 1.14 -2.16 -1.06 0.00 0.00 176.35 174.22 1u3n s PRO 126 N -2.98 1.14 -1.28 1.48 0.04 -1.26 -4.93 135.00 127.20 1u3n s PRO 126 Ca 0.18 0.29 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 1u3n s PRO 126 Cb -0.05 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.76 1u3n s PRO 126 CO 0.07 -2.20 1.69 0.09 0.04 0.00 0.00 177.00 176.69 1u3n n ASN 127 N -3.77 4.96 -3.78 6.66 3.02 -1.26 -4.89 115.26 116.20 1u3n n ASN 127 Ca 0.07 -2.94 -0.21 0.00 -0.03 0.00 0.00 54.58 51.46 1u3n n ASN 127 Cb 0.59 -1.67 -0.17 0.00 -0.61 0.00 0.00 39.78 37.92 1u3n n ASN 127 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1u3n s LEU 128 N 2.98 0.74 -0.03 3.41 1.43 -1.26 -5.04 118.68 120.91 1u3n s LEU 128 Ca 0.49 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1u3n s LEU 128 Cb 0.03 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.90 1u3n s LEU 128 CO 0.04 -0.16 0.09 -1.83 0.23 0.00 0.00 176.35 174.71 1u3n s GLU 129 N 1.67 0.09 0.00 1.70 -1.05 -1.26 -4.57 118.70 115.28 1u3n s GLU 129 Ca -0.00 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1u3n s GLU 129 Cb -0.13 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 1u3n s GLU 129 CO -0.04 -0.04 0.00 0.28 0.95 0.00 0.00 175.26 176.42 1u3n n VAL 130 N 3.23 0.00 -2.08 1.83 0.31 -1.26 0.14 118.33 120.49 1u3n n VAL 130 Ca -0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.98 1u3n n VAL 130 Cb 0.58 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.47 1u3n n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u3n n GLY 131 N 0.00 0.46 1.99 2.92 0.00 -1.26 -0.87 105.19 108.43 1u3n n GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.71 0.00 -0.12 4.61 0.00 -1.26 -4.79 120.51 118.23 1u3n n ALA 132 Ca -0.22 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.49 1u3n n ALA 132 Cb 0.67 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.75 1u3n n ALA 132 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1u3n h ASP 133 N 0.00 0.00 0.37 0.00 1.82 -0.97 2.16 116.42 119.80 1u3n h ASP 133 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1u3n h ASP 133 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1u3n h ASP 133 CO 0.00 0.00 -0.30 1.23 -1.61 0.00 0.00 179.24 178.56 1u3n h GLY 134 N 0.00 0.00 -6.92 -0.78 0.00 0.12 -3.33 103.07 92.16 1u3n h GLY 134 Ca 0.39 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 47.01 1u3n h GLY 134 CO -0.00 0.00 2.34 0.28 0.00 0.00 0.00 176.54 179.16 1u3n n LYS 135 N -4.04 3.20 -3.89 4.80 4.76 0.73 -3.67 118.16 120.04 1u3n n LYS 135 Ca -0.02 -3.20 -0.35 0.00 -2.87 0.00 0.00 58.31 51.87 1u3n n LYS 135 Cb 0.36 -3.24 -0.14 0.00 -1.84 0.00 0.00 35.03 30.18 1u3n n LYS 135 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1u3n s VAL 136 N 2.65 3.09 -0.72 -0.18 1.01 -1.25 -5.00 120.40 120.00 1u3n s VAL 136 Ca 0.47 -1.29 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 1u3n s VAL 136 Cb 0.07 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1u3n s VAL 136 CO -0.01 -0.07 1.44 1.51 0.00 0.00 0.00 175.10 177.98 1u3n s ASP 137 N 1.29 5.93 -0.72 3.32 -4.77 -1.26 -4.11 116.67 116.35 1u3n s ASP 137 Ca -0.04 -0.29 -0.27 0.00 -3.30 0.00 0.00 52.55 48.66 1u3n s ASP 137 Cb -0.19 -2.55 0.03 0.00 -1.09 0.00 0.00 42.92 39.12 1u3n s ASP 137 CO -0.01 -1.98 1.24 0.68 0.70 0.00 0.00 175.17 175.80 1u3n s VAL 138 N 6.62 3.81 -0.03 2.11 -7.23 -1.26 -4.69 120.40 119.72 1u3n s VAL 138 Ca 0.44 0.38 0.05 0.00 -1.81 0.00 0.00 61.98 61.04 1u3n s VAL 138 Cb -0.09 -4.88 0.07 0.00 0.56 0.00 0.00 36.38 32.04 1u3n s VAL 138 CO 0.15 -1.77 0.97 -0.38 -0.31 0.00 0.00 175.10 173.76 1u3n n ILE 139 N 6.36 0.53 -1.76 -0.62 2.08 -1.26 -4.73 119.36 119.97 1u3n n ILE 139 Ca 0.03 -0.63 0.03 0.00 0.56 0.00 0.00 62.75 62.74 1u3n n ILE 139 Cb 0.49 0.38 0.04 0.00 -0.75 0.00 0.00 39.64 39.80 1u3n n ILE 139 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1u3n n MET 140 N -0.39 0.38 -2.68 0.38 2.81 -1.26 -4.66 117.12 111.69 1u3n n MET 140 Ca 0.04 -1.50 -0.08 0.00 -1.81 0.00 0.00 57.70 54.35 1u3n n MET 140 Cb 0.63 -0.77 0.06 0.00 -0.71 0.00 0.00 33.22 32.43 1u3n n MET 140 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1u3n n ASN 141 N -0.40 0.35 -3.76 7.83 2.85 -1.26 -5.09 115.26 115.79 1u3n n ASN 141 Ca 0.05 -2.60 -0.14 0.00 -0.11 0.00 0.00 54.58 51.78 1u3n n ASN 141 Cb 0.70 -0.03 -0.15 0.00 1.24 0.00 0.00 39.78 41.55 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 -2.06 -0.18 0.03 5.20 0.00 -1.26 -5.05 121.76 118.45 1u3n s ALA 142 Ca 0.25 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 1u3n s ALA 142 Cb 0.44 -0.38 -0.21 0.00 0.00 0.00 0.00 23.12 22.97 1u3n s ALA 142 CO -0.01 -0.13 1.17 -1.00 0.00 0.00 0.00 175.76 175.79 1u3n h PRO 143 N 7.13 0.52 0.00 0.00 0.13 -1.98 -3.36 132.00 134.44 1u3n h PRO 143 Ca -0.42 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1u3n h PRO 143 Cb 1.14 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1u3n h PRO 143 CO 0.44 1.14 0.00 -0.25 -0.23 0.00 0.00 178.00 179.10 1u3n n ASP 144 N -4.14 0.00 -3.78 1.44 9.92 -1.26 -4.77 116.55 113.95 1u3n n ASP 144 Ca -0.10 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.74 1u3n n ASP 144 Cb 0.69 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1u3n n ASP 144 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1u3n n THR 145 N 0.00 4.02 -2.17 -3.53 -2.24 -1.26 -4.79 114.28 104.31 1u3n n THR 145 Ca 0.00 -3.78 -0.36 0.00 -2.27 0.00 0.00 64.05 57.64 1u3n n THR 145 Cb 0.00 -2.46 -0.04 0.00 -2.10 0.00 0.00 70.33 65.74 1u3n n THR 145 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1u3n s SER 146 N 1.81 5.48 0.38 3.42 0.01 -1.26 -4.55 113.70 118.99 1u3n s SER 146 Ca 0.44 -0.21 0.20 0.00 1.31 0.00 0.00 55.95 57.69 1u3n s SER 146 Cb 0.12 -2.55 1.20 0.00 0.21 0.00 0.00 66.02 65.00 1u3n s SER 146 CO -0.04 -2.32 1.67 -0.07 0.41 0.00 0.00 173.24 172.89 1u3n h LEU 147 N 15.97 0.42 -5.00 2.44 3.38 -1.90 -2.79 115.31 127.83 1u3n h LEU 147 Ca -0.13 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1u3n h LEU 147 Cb 1.09 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1u3n h LEU 147 CO 1.24 -0.12 0.10 2.29 0.09 0.00 0.00 178.44 182.05 1u3n n LYS 148 N -4.88 0.09 0.00 1.13 -0.00 -1.26 -2.65 118.16 110.59 1u3n n LYS 148 Ca 0.32 -0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.00 1u3n n LYS 148 Cb 1.10 -0.10 0.00 0.00 -0.00 0.00 0.00 35.03 36.04 1u3n n LYS 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1u3n n LYS 149 N 0.56 0.00 -0.30 -1.58 4.81 -1.25 -4.76 118.16 115.63 1u3n n LYS 149 Ca -0.06 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.54 1u3n n LYS 149 Cb 0.76 0.00 0.31 0.00 0.02 0.00 0.00 35.03 36.12 1u3n n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u3n n GLY 150 N 0.30 -1.09 0.00 3.14 0.00 -1.26 -4.16 105.19 102.11 1u3n n GLY 150 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -5.23 0.00 -1.48 1.61 2.88 -1.26 -5.10 113.62 105.04 1u3n n SER 151 Ca 0.24 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.96 1u3n n SER 151 Cb 0.78 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.15 1u3n n SER 151 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u3n n LYS 152 N 0.00 -3.37 -1.18 -1.46 4.76 -1.26 -3.99 118.16 111.65 1u3n n LYS 152 Ca 0.00 2.70 -0.38 0.00 -2.87 0.00 0.00 58.31 57.76 1u3n n LYS 152 Cb 0.00 -3.96 -0.03 0.00 -1.84 0.00 0.00 35.03 29.19 1u3n n LYS 152 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1u3n n LEU 153 N -4.39 5.25 -1.37 -0.35 -0.00 -1.05 -4.38 117.00 110.70 1u3n n LEU 153 Ca -0.08 -3.27 0.12 0.00 -0.00 0.00 0.00 56.01 52.77 1u3n n LEU 153 Cb 0.70 -1.26 0.33 0.00 -0.00 0.00 0.00 43.42 43.19 1u3n n LEU 153 CO 0.04 0.37 0.78 -3.20 -0.00 0.00 0.00 177.39 175.38 1u3n n ASN 154 N 6.10 3.99 0.10 1.45 2.85 -1.26 -4.07 115.26 124.42 1u3n n ASN 154 Ca 0.51 -2.03 0.13 0.00 -0.11 0.00 0.00 54.58 53.08 1u3n n ASN 154 Cb 0.32 -0.50 0.44 0.00 1.24 0.00 0.00 39.78 41.28 1u3n n ASN 154 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u3n n ILE 155 N 1.62 0.61 -3.10 -1.44 0.00 -1.26 -4.79 119.36 111.00 1u3n n ILE 155 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 62.75 62.85 1u3n n ILE 155 Cb 0.64 -0.71 0.00 0.00 0.00 0.00 0.00 39.64 39.57 1u3n n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u3n n LEU 156 N -2.19 0.00 -4.52 9.51 -0.00 -1.26 -5.01 117.00 113.53 1u3n n LEU 156 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.63 1u3n n LEU 156 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.79 1u3n n LEU 156 CO 0.28 -0.30 1.60 -0.62 -0.00 0.00 0.00 177.39 178.35 1u3n s ASP 157 N -0.90 6.86 0.00 1.45 -1.08 -1.25 -4.73 116.67 117.01 1u3n s ASP 157 Ca 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 52.55 49.56 1u3n s ASP 157 Cb 0.00 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1u3n s ASP 157 CO 0.00 -1.05 0.00 1.21 0.52 0.00 0.00 175.17 175.85 1u3n n GLU 158 N 7.30 0.00 -2.71 4.34 2.13 -1.26 -2.27 120.64 128.16 1u3n n GLU 158 Ca 0.40 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.17 1u3n n GLU 158 Cb 0.46 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.24 1u3n n GLU 158 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1u3n n ASP 159 N 2.03 0.22 -3.66 4.31 5.68 -1.26 -4.73 116.55 119.14 1u3n n ASP 159 Ca 0.00 -2.41 -0.27 0.00 -0.50 0.00 0.00 54.79 51.61 1u3n n ASP 159 Cb 0.00 0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 1u3n n ASP 159 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u3n n GLY 160 N -0.55 3.97 0.00 6.12 0.00 -0.96 -2.17 105.19 111.60 1u3n n GLY 160 Ca 0.01 -2.43 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1u3n n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u3n n SER 161 N 1.69 1.60 -4.75 1.61 7.64 -1.26 -3.88 113.62 116.26 1u3n n SER 161 Ca 0.24 -1.60 -0.40 0.00 1.01 0.00 0.00 58.87 58.13 1u3n n SER 161 Cb 0.39 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1u3n n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u3n s ALA 162 N -0.60 3.36 -0.53 -0.43 0.00 -1.26 -4.80 121.76 117.50 1u3n s ALA 162 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1u3n s ALA 162 Cb 0.00 -3.07 0.14 0.00 0.00 0.00 0.00 23.12 20.19 1u3n s ALA 162 CO 0.00 0.11 0.30 -0.59 0.00 0.00 0.00 175.76 175.58 1u3n s PHE 163 N -0.39 3.36 -0.19 0.00 -0.71 -1.26 -4.48 117.98 114.32 1u3n s PHE 163 Ca 0.40 -2.93 -0.23 0.00 -1.04 0.00 0.00 56.93 53.13 1u3n s PHE 163 Cb -0.22 -3.00 -0.02 0.00 -1.21 0.00 0.00 43.02 38.57 1u3n s PHE 163 CO 0.26 -0.82 0.73 0.96 -1.34 0.00 0.00 175.22 175.01 1u3n s ILE 164 N 0.04 4.95 -0.12 -4.49 -0.00 -1.26 -4.79 121.20 115.52 1u3n s ILE 164 Ca 0.16 1.41 -0.24 0.00 -0.00 0.00 0.00 60.65 61.97 1u3n s ILE 164 Cb -0.23 -4.04 -0.03 0.00 -0.00 0.00 0.00 42.46 38.16 1u3n s ILE 164 CO -0.02 0.06 0.76 -0.63 -0.00 0.00 0.00 174.94 175.10 1u3n s ILE 165 N 2.08 4.97 0.22 8.37 1.09 -0.91 -4.69 121.20 132.33 1u3n s ILE 165 Ca 0.33 1.51 -0.22 0.00 -1.10 0.00 0.00 60.65 61.18 1u3n s ILE 165 Cb -0.16 -4.08 0.07 0.00 -1.06 0.00 0.00 42.46 37.23 1u3n s ILE 165 CO 0.11 0.14 0.96 -1.38 -0.10 0.00 0.00 174.94 174.66 1u3n s HIS 166 N 1.52 0.01 0.00 3.97 -3.43 -1.26 -2.55 115.29 113.55 1u3n s HIS 166 Ca 0.37 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 1u3n s HIS 166 Cb -0.17 0.71 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1u3n s HIS 166 CO 0.15 -1.03 0.00 0.39 -2.00 0.00 0.00 174.74 172.25 1u3n n GLU 167 N -0.59 0.00 -3.96 -0.38 1.02 -1.26 -4.58 120.64 110.89 1u3n n GLU 167 Ca -0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 1u3n n GLU 167 Cb 0.60 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.21 1.09 0.00 3.49 -0.21 -1.26 -4.44 119.66 118.12 1u3n s GLN 168 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.21 1u3n s GLN 168 Cb 0.00 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.37 1u3n s GLN 168 CO 0.00 -0.38 0.00 0.00 -2.12 0.00 0.00 175.29 172.79 1u3n n ALA 169 N -0.18 -0.41 0.00 6.09 0.00 -1.25 -4.40 120.51 120.36 1u3n n ALA 169 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1u3n n ALA 169 Cb 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1u3n n ALA 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1u3n n ASP 170 N -0.98 0.00 0.00 0.00 5.75 -1.26 -0.43 116.55 119.62 1u3n n ASP 170 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1u3n n ASP 170 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1u3n n ASP 170 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1u3n n ASP 171 N 0.00 0.00 0.00 -1.12 -0.08 -1.26 -4.78 116.55 109.31 1u3n n ASP 171 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1u3n n ASP 171 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1u3n n ASP 171 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u3n n TYR 172 N 1.14 0.00 -2.72 -0.67 9.36 -1.26 -3.52 117.16 119.49 1u3n n TYR 172 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1u3n n TYR 172 Cb 0.00 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.75 1u3n n TYR 172 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1u3n n LEU 173 N 0.00 -2.52 -2.90 2.98 4.77 -1.26 -5.04 117.00 113.03 1u3n n LEU 173 Ca 0.00 -2.42 -0.31 0.00 -0.03 0.00 0.00 56.01 53.25 1u3n n LEU 173 Cb 0.00 0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1u3n n LEU 173 CO 0.00 1.73 0.51 1.07 -1.33 0.00 0.00 177.39 179.37 1u3n n THR 174 N 2.26 3.38 -1.18 -5.08 5.66 -1.23 -4.93 114.28 113.17 1u3n n THR 174 Ca 0.11 -5.31 0.13 0.00 -3.05 0.00 0.00 64.05 55.94 1u3n n THR 174 Cb 0.62 -1.37 -0.05 0.00 -1.55 0.00 0.00 70.33 67.99 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 -0.32 -6.27 -2.62 1.09 4.13 -1.26 -1.98 115.26 108.02 1u3n n ASN 175 Ca 0.38 0.72 -0.18 0.00 1.68 0.00 0.00 54.58 57.19 1u3n n ASN 175 Cb 0.44 -3.78 -0.08 0.00 -1.54 0.00 0.00 39.78 34.81 1u3n n ASN 175 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1u3n n PRO 176 N -3.63 2.08 0.00 3.52 -0.04 -1.26 -3.74 135.00 131.94 1u3n n PRO 176 Ca -0.03 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1u3n n PRO 176 Cb 0.63 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1u3n n PRO 176 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1u3n n SER 177 N 3.21 0.00 0.00 3.54 7.64 -1.24 -5.17 113.62 121.60 1u3n n SER 177 Ca 0.45 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1u3n n SER 177 Cb 0.46 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1u3n n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u3n n GLY 178 N -0.43 4.11 0.00 0.23 0.00 -0.84 -5.08 105.19 103.18 1u3n n GLY 178 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1u3n n GLY 178 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u3n n ASN 179 N 0.00 0.00 -0.85 1.61 4.05 -1.26 -4.91 115.26 113.90 1u3n n ASN 179 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1u3n n ASN 179 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1u3n n ASN 179 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1u3n n SER 180 N 0.00 -1.45 -3.51 1.20 3.41 0.42 -4.76 113.62 108.93 1u3n n SER 180 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1u3n n SER 180 Cb 0.00 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1u3n n SER 180 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1u3n s GLY 181 N -2.54 0.57 0.03 5.00 0.00 -1.26 -4.14 107.32 104.98 1u3n s GLY 181 Ca 0.00 3.83 0.00 0.00 0.00 0.00 0.00 44.72 48.55 1u3n s GLY 181 CO 0.00 2.96 0.00 0.00 0.00 0.00 0.00 173.10 176.06 1u3n n ALA 182 N 3.48 -0.43 -1.60 3.20 0.00 -1.26 -4.75 120.51 119.14 1u3n n ALA 182 Ca -0.14 0.04 -0.58 0.00 0.00 0.00 0.00 53.44 52.76 1u3n n ALA 182 Cb 0.56 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 1u3n n ALA 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u3n n ARG 183 N -1.79 0.83 -0.04 0.00 3.00 -1.26 -4.25 116.66 113.15 1u3n n ARG 183 Ca -0.00 0.28 -0.06 0.00 -0.01 0.00 0.00 57.85 58.06 1u3n n ARG 183 Cb 0.03 -2.02 -0.04 0.00 0.00 0.00 0.00 32.46 30.43 1u3n n ARG 183 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1u3n n ILE 184 N 5.32 0.51 -4.55 0.55 -0.00 -1.24 -5.01 119.36 114.94 1u3n n ILE 184 Ca 0.34 -0.21 -0.23 0.00 -0.00 0.00 0.00 62.75 62.65 1u3n n ILE 184 Cb 0.10 -0.82 -0.16 0.00 -0.00 0.00 0.00 39.64 38.76 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 -2.18 1.04 -0.10 1.39 0.11 -1.06 -3.38 120.40 116.23 1u3n s VAL 185 Ca -0.11 -0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 58.24 1u3n s VAL 185 Cb 0.03 -0.93 0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1u3n s VAL 185 CO 0.21 0.32 0.53 0.00 -3.33 0.00 0.00 175.10 172.83 1u3n n GLY 187 N 1.70 -0.29 2.15 0.00 0.00 -1.25 -4.36 105.19 103.14 1u3n n GLY 187 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.74 -2.03 -2.83 4.61 0.00 -1.25 -3.97 120.51 113.30 1u3n n ALA 188 Ca -0.01 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1u3n n ALA 188 Cb 0.18 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.23 1u3n n ALA 188 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1u3n n LEU 189 N 1.90 -1.50 -2.22 0.00 -0.00 -1.26 -4.36 117.00 109.55 1u3n n LEU 189 Ca 0.00 -3.97 -0.26 0.00 -0.00 0.00 0.00 56.01 51.78 1u3n n LEU 189 Cb 0.00 0.79 0.14 0.00 -0.00 0.00 0.00 43.42 44.36 1u3n n LEU 189 CO 0.00 2.09 1.32 0.00 -0.00 0.00 0.00 177.39 180.80 1u3n n LEU 190 N 0.24 6.92 -2.58 1.47 -0.00 -1.26 -4.17 117.00 117.62 1u3n n LEU 190 Ca 0.09 -3.74 -0.05 0.00 -0.00 0.00 0.00 56.01 52.31 1u3n n LEU 190 Cb 0.71 -0.88 -0.04 0.00 -0.00 0.00 0.00 43.42 43.21 1u3n n LEU 190 CO 0.07 1.16 -0.65 0.61 -0.00 0.00 0.00 177.39 178.58 1u3n n GLY 191 N -1.01 -5.20 2.84 1.47 0.00 -1.26 -4.83 105.19 97.19 1u3n n GLY 191 Ca 0.59 1.68 -0.13 0.00 0.00 0.00 0.00 46.02 48.16 1u3n n GLY 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u3n s ASN 192 N -0.75 0.87 -0.30 1.61 2.47 -1.26 -5.12 114.94 112.47 1u3n s ASN 192 Ca -0.26 -0.20 -0.16 0.00 0.42 0.00 0.00 52.86 52.66 1u3n s ASN 192 Cb 0.02 0.80 0.17 0.00 -1.45 0.00 0.00 41.25 40.79 1u3n s ASN 192 CO 0.79 -0.33 1.09 0.21 -3.72 0.00 0.00 177.10 175.13 1u3n s ASN 193 N 2.45 -0.36 0.33 -4.21 2.47 -1.26 -5.07 114.94 109.29 1u3n s ASN 193 Ca 0.10 0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.92 1u3n s ASN 193 Cb -0.15 1.25 0.00 0.00 -1.45 0.00 0.00 41.25 40.91 1u3n s ASN 193 CO -0.21 -0.08 0.00 1.21 -3.72 0.00 0.00 177.10 174.30 1u3n n GLU 194 N 3.95 -2.51 -1.45 0.43 4.07 -1.26 -4.98 120.64 118.89 1u3n n GLU 194 Ca -0.14 1.74 0.18 0.00 -0.06 0.00 0.00 57.16 58.88 1u3n n GLU 194 Cb 0.56 -3.07 -0.08 0.00 -0.06 0.00 0.00 31.44 28.79 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 -3.74 -3.26 0.00 5.31 4.01 -1.26 -5.26 118.16 113.96 1u3n n LYS 195 Ca -0.01 2.56 0.12 0.00 -0.51 0.00 0.00 58.31 60.48 1u3n n LYS 195 Cb 0.65 -3.85 0.15 0.00 -0.51 0.00 0.00 35.03 31.46 1u3n n LYS 195 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29