#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uew s SER 2 N 0.00 6.06 0.27 1.61 0.01 -1.26 -5.14 113.70 115.25 1uew s SER 2 Ca 0.00 0.28 -0.09 0.00 1.31 0.00 0.00 55.95 57.46 1uew s SER 2 Cb 0.00 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.56 1uew s SER 2 CO 0.00 -0.48 0.51 -1.54 0.41 0.00 0.00 173.24 172.15 1uew n SER 3 N -1.88 -1.49 0.00 2.44 3.41 -1.26 -5.17 113.62 109.68 1uew n SER 3 Ca -0.02 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 1uew n SER 3 Cb 0.57 2.51 0.00 0.00 -0.26 0.00 0.00 64.21 67.03 1uew n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uew n GLY 4 N -0.38 -0.91 3.56 5.00 0.00 -1.26 -5.17 105.19 106.03 1uew n GLY 4 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1uew n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uew s SER 5 N -4.00 -0.11 -0.28 1.61 1.04 -1.26 -5.17 113.70 105.53 1uew s SER 5 Ca 0.00 -0.83 -0.17 0.00 0.48 0.00 0.00 55.95 55.43 1uew s SER 5 Cb 0.00 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.78 1uew s SER 5 CO 0.00 -1.10 0.72 -0.44 0.98 0.00 0.00 173.24 173.40 1uew s SER 6 N -2.98 -0.90 0.00 7.02 0.01 -1.26 -5.13 113.70 110.46 1uew s SER 6 Ca 0.19 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1uew s SER 6 Cb -0.00 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1uew s SER 6 CO 0.06 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1uew n GLY 7 N 4.14 2.63 0.00 3.44 0.00 -1.26 -5.15 105.19 109.00 1uew n GLY 7 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1uew n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uew n SER 8 N 0.00 0.00 -4.73 1.61 7.64 -1.26 -5.15 113.62 111.73 1uew n SER 8 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1uew n SER 8 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1uew n SER 8 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1uew s LEU 9 N -0.34 3.58 0.61 -3.43 2.96 -1.26 -4.97 118.68 115.83 1uew s LEU 9 Ca 0.00 2.58 -0.18 0.00 -0.22 0.00 0.00 54.13 56.31 1uew s LEU 9 Cb 0.00 -4.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.05 1uew s LEU 9 CO 0.00 -1.94 1.16 -1.10 -1.32 0.00 0.00 176.35 173.15 1uew s GLN 10 N -3.38 2.96 0.22 1.98 -0.21 -1.26 -5.05 119.66 114.91 1uew s GLN 10 Ca 0.82 1.65 -0.06 0.00 0.02 0.00 0.00 55.36 57.79 1uew s GLN 10 Cb -0.36 -1.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 1uew s GLN 10 CO 0.39 -1.17 0.27 0.95 -2.12 0.00 0.00 175.29 173.60 1uew s THR 11 N -1.87 0.00 0.11 -0.19 -4.23 -1.26 -4.69 115.64 103.51 1uew s THR 11 Ca 0.73 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1uew s THR 11 Cb -0.26 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1uew s THR 11 CO 0.34 0.00 -0.01 -0.44 -0.54 0.00 0.00 174.62 173.97 1uew s SER 12 N -3.10 0.74 -0.36 3.99 0.01 -0.51 -4.74 113.70 109.72 1uew s SER 12 Ca 0.32 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1uew s SER 12 Cb 0.04 0.18 0.12 0.00 0.21 0.00 0.00 66.02 66.57 1uew s SER 12 CO 0.11 -0.60 0.15 1.51 0.41 0.00 0.00 173.24 174.83 1uew s ASP 13 N -3.03 3.82 -0.75 2.44 -4.77 -1.26 -1.23 116.67 111.89 1uew s ASP 13 Ca 0.16 -2.03 -0.18 0.00 -3.30 0.00 0.00 52.55 47.20 1uew s ASP 13 Cb 0.07 -0.89 0.13 0.00 -1.09 0.00 0.00 42.92 41.14 1uew s ASP 13 CO -0.03 -0.36 0.87 -0.69 0.70 0.00 0.00 175.17 175.66 1uew s VAL 14 N 1.14 4.92 -0.03 2.11 1.01 -0.14 -4.88 120.40 124.54 1uew s VAL 14 Ca 0.13 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 1uew s VAL 14 Cb -0.20 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 1uew s VAL 14 CO -0.14 -1.25 0.95 0.54 0.00 0.00 0.00 175.10 175.20 1uew s VAL 15 N 2.26 4.88 0.03 2.92 0.11 -1.26 -0.96 120.40 128.39 1uew s VAL 15 Ca 0.20 1.98 0.02 0.00 -2.93 0.00 0.00 61.98 61.25 1uew s VAL 15 Cb -0.15 -4.28 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 1uew s VAL 15 CO -0.02 0.15 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.19 1uew s ILE 16 N 1.14 0.59 0.37 7.04 1.01 -0.60 -5.00 121.20 125.76 1uew s ILE 16 Ca 0.49 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1uew s ILE 16 Cb -0.20 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1uew s ILE 16 CO 0.25 -0.22 0.14 -1.00 0.00 0.00 0.00 174.94 174.11 1uew s HIS 17 N -1.02 2.63 0.35 3.97 3.76 -1.26 -1.54 115.29 122.19 1uew s HIS 17 Ca -0.06 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1uew s HIS 17 Cb -0.08 -1.76 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1uew s HIS 17 CO 0.00 0.29 0.43 2.89 -0.85 0.00 0.00 174.74 177.50 1uew n ARG 18 N -1.16 0.62 -4.03 1.40 1.85 -0.86 -4.77 116.66 109.70 1uew n ARG 18 Ca -0.02 -3.06 -0.22 0.00 -1.00 0.00 0.00 57.85 53.55 1uew n ARG 18 Cb 0.63 2.78 -0.03 0.00 -1.05 0.00 0.00 32.46 34.78 1uew n ARG 18 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1uew s LYS 19 N -3.02 3.20 0.26 2.89 3.01 -1.26 -4.85 119.74 119.98 1uew s LYS 19 Ca 0.34 -0.87 0.24 0.00 -1.01 0.00 0.00 55.97 54.66 1uew s LYS 19 Cb 0.00 -2.75 0.99 0.00 -1.01 0.00 0.00 37.83 35.06 1uew s LYS 19 CO 0.24 0.43 1.72 0.39 0.51 0.00 0.00 175.35 178.64 1uew n GLU 20 N -1.18 0.20 -0.00 1.68 1.02 -1.26 -2.69 120.64 118.40 1uew n GLU 20 Ca -0.08 0.42 0.04 0.00 -0.02 0.00 0.00 57.16 57.52 1uew n GLU 20 Cb 0.57 -1.88 0.23 0.00 -0.02 0.00 0.00 31.44 30.33 1uew n GLU 20 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1uew n ASN 21 N -2.26 0.02 -3.78 1.62 2.85 -1.26 -4.91 115.26 107.54 1uew n ASN 21 Ca 0.02 -1.76 -0.04 0.00 -0.11 0.00 0.00 54.58 52.68 1uew n ASN 21 Cb 0.23 -0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.24 1uew n ASN 21 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1uew s GLU 22 N -2.00 1.38 0.00 1.20 -1.05 -1.10 -5.19 118.70 111.95 1uew s GLU 22 Ca 0.12 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 1uew s GLU 22 Cb 0.05 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1uew s GLU 22 CO 0.09 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.08 1uew n GLY 23 N -0.47 1.96 3.90 -3.83 0.00 -1.26 -4.59 105.19 100.89 1uew n GLY 23 Ca -0.05 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 1uew n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uew s PHE 24 N 1.20 3.56 -0.58 1.61 0.08 -1.26 -4.75 117.98 117.84 1uew s PHE 24 Ca 0.00 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.97 1uew s PHE 24 Cb 0.00 -2.38 0.46 0.00 -0.57 0.00 0.00 43.02 40.53 1uew s PHE 24 CO 0.00 -0.33 1.87 0.41 -0.10 0.00 0.00 175.22 177.07 1uew n GLY 25 N -2.24 5.89 3.52 4.36 0.00 -1.26 -4.94 105.19 110.53 1uew n GLY 25 Ca 0.02 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.50 1uew n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uew s PHE 26 N -3.75 2.40 -0.03 1.61 -0.71 -1.26 -0.42 117.98 115.81 1uew s PHE 26 Ca 0.62 -0.35 -0.01 0.00 -1.04 0.00 0.00 56.93 56.15 1uew s PHE 26 Cb 0.49 -1.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1uew s PHE 26 CO 0.01 0.66 0.06 0.08 -1.34 0.00 0.00 175.22 174.68 1uew s VAL 27 N -2.50 -0.06 0.03 -2.49 1.01 0.04 -4.93 120.40 111.49 1uew s VAL 27 Ca 0.31 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1uew s VAL 27 Cb -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 1uew s VAL 27 CO 0.16 0.09 0.28 -0.63 0.00 0.00 0.00 175.10 175.00 1uew s ILE 28 N 1.13 5.29 0.19 2.22 1.01 -1.26 -0.46 121.20 129.31 1uew s ILE 28 Ca -0.09 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1uew s ILE 28 Cb -0.13 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1uew s ILE 28 CO -0.04 0.32 0.05 0.27 0.00 0.00 0.00 174.94 175.54 1uew s ILE 29 N -1.35 0.44 0.55 2.92 -4.36 -0.12 -4.66 121.20 114.62 1uew s ILE 29 Ca 0.29 -1.97 0.09 0.00 -0.26 0.00 0.00 60.65 58.80 1uew s ILE 29 Cb -0.13 -2.27 0.07 0.00 1.25 0.00 0.00 42.46 41.38 1uew s ILE 29 CO 0.18 -0.31 0.68 -0.55 0.24 0.00 0.00 174.94 175.17 1uew s SER 30 N -3.18 5.06 -0.00 4.36 0.15 -1.25 -1.67 113.70 117.18 1uew s SER 30 Ca 0.29 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1uew s SER 30 Cb 0.07 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1uew s SER 30 CO 0.07 -1.21 0.66 -1.20 1.20 0.00 0.00 173.24 172.76 1uew n SER 31 N -2.08 0.58 -3.40 5.45 7.64 -1.21 -4.94 113.62 115.66 1uew n SER 31 Ca 0.11 -1.34 -0.35 0.00 1.01 0.00 0.00 58.87 58.30 1uew n SER 31 Cb 0.62 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 1uew n SER 31 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1uew n LEU 32 N -0.16 6.44 -3.64 -3.43 7.94 -1.26 -4.63 117.00 118.26 1uew n LEU 32 Ca 0.00 -3.62 -0.08 0.00 -1.11 0.00 0.00 56.01 51.21 1uew n LEU 32 Cb 0.44 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 1uew n LEU 32 CO 0.00 1.04 0.81 0.54 -1.11 0.00 0.00 177.39 178.67 1uew s ASN 33 N 3.22 -0.38 0.00 1.96 4.22 -1.26 -5.18 114.94 117.51 1uew s ASN 33 Ca 0.54 0.73 0.00 0.00 -2.14 0.00 0.00 52.86 51.99 1uew s ASN 33 Cb 0.14 0.76 0.00 0.00 1.28 0.00 0.00 41.25 43.43 1uew s ASN 33 CO -0.03 -0.13 0.00 0.54 -2.04 0.00 0.00 177.10 175.45 1uew n ARG 34 N 2.17 0.00 -2.24 3.55 1.74 -1.26 -5.00 116.66 115.61 1uew n ARG 34 Ca -0.12 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.60 1uew n ARG 34 Cb 0.56 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.96 1uew n ARG 34 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1uew s PRO 35 N -1.12 2.90 0.00 5.56 0.04 -1.26 -2.24 135.00 138.88 1uew s PRO 35 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1uew s PRO 35 Cb 0.00 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1uew s PRO 35 CO 0.00 -2.75 0.00 -1.91 0.04 0.00 0.00 177.00 172.38 1uew n GLU 36 N 9.04 0.00 -3.26 4.56 2.13 -1.26 -5.03 120.64 126.81 1uew n GLU 36 Ca 0.27 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.00 1uew n GLU 36 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1uew n GLU 36 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1uew n SER 37 N 0.00 -6.90 -0.09 4.31 7.64 -0.95 -5.00 113.62 112.63 1uew n SER 37 Ca 0.00 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1uew n SER 37 Cb 0.00 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1uew n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uew n GLY 38 N -1.54 -0.78 3.72 0.23 0.00 -1.26 -5.09 105.19 100.48 1uew n GLY 38 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1uew n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uew s SER 39 N -0.09 6.71 0.58 1.61 0.01 -1.26 -5.04 113.70 116.22 1uew s SER 39 Ca 0.00 2.47 -0.07 0.00 1.31 0.00 0.00 55.95 59.66 1uew s SER 39 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1uew s SER 39 CO 0.00 -0.72 0.91 0.42 0.41 0.00 0.00 173.24 174.26 1uew s THR 40 N 1.02 4.05 -1.33 1.44 -4.23 -1.26 -4.42 115.64 110.91 1uew s THR 40 Ca 0.66 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 61.30 1uew s THR 40 Cb -0.40 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 69.89 1uew s THR 40 CO 0.32 -0.65 0.48 -0.38 -0.54 0.00 0.00 174.62 173.85 1uew n ILE 41 N -2.57 -1.21 -1.93 2.99 2.08 -1.26 -4.93 119.36 112.53 1uew n ILE 41 Ca 0.04 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.94 1uew n ILE 41 Cb 0.57 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.22 1uew n ILE 41 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1uew s THR 42 N -2.97 2.46 0.18 1.39 2.01 -1.26 -5.03 115.64 112.42 1uew s THR 42 Ca 0.35 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.81 1uew s THR 42 Cb -0.18 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1uew s THR 42 CO 0.43 0.06 -0.15 0.68 -0.69 0.00 0.00 174.62 174.95 1uew s VAL 43 N -0.02 1.65 0.11 3.82 -7.23 -1.26 -5.07 120.40 112.40 1uew s VAL 43 Ca 0.60 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1uew s VAL 43 Cb -0.44 -1.89 -0.20 0.00 0.56 0.00 0.00 36.38 34.41 1uew s VAL 43 CO 0.45 -0.50 1.27 1.55 -0.31 0.00 0.00 175.10 177.55 1uew h PRO 44 N 2.91 0.54 -3.54 4.82 0.13 -1.91 -3.20 132.00 131.74 1uew h PRO 44 Ca -0.39 -0.56 -0.28 0.00 -0.87 0.00 0.00 66.00 63.90 1uew h PRO 44 Cb 1.21 0.16 -0.32 0.00 0.13 0.00 0.00 31.00 32.17 1uew h PRO 44 CO 0.57 1.19 -0.71 -1.01 -0.23 0.00 0.00 178.00 177.81 1uew s HIS 45 N -3.33 0.00 0.23 1.56 3.76 -1.26 -3.87 115.29 112.38 1uew s HIS 45 Ca -0.07 0.14 -0.18 0.00 -0.15 0.00 0.00 55.06 54.79 1uew s HIS 45 Cb 0.08 -0.16 0.02 0.00 1.11 0.00 0.00 32.58 33.63 1uew s HIS 45 CO 0.89 -0.08 0.59 -1.59 -0.85 0.00 0.00 174.74 173.70 1uew s LYS 46 N 0.81 1.54 -0.55 1.40 -2.85 -0.67 -1.92 119.74 117.49 1uew s LYS 46 Ca -0.07 -0.94 -0.27 0.00 -1.00 0.00 0.00 55.97 53.69 1uew s LYS 46 Cb -0.10 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1uew s LYS 46 CO -0.02 -0.67 1.64 0.42 0.10 0.00 0.00 175.35 176.81 1uew s ILE 47 N -3.90 3.57 0.12 3.79 -1.09 -1.25 -0.94 121.20 121.50 1uew s ILE 47 Ca 0.11 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 58.84 1uew s ILE 47 Cb -0.03 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1uew s ILE 47 CO 0.02 -0.99 1.51 1.23 -1.23 0.00 0.00 174.94 175.48 1uew h GLY 48 N 14.43 0.82 -3.87 6.18 0.00 -1.03 -3.36 103.07 116.25 1uew h GLY 48 Ca -0.28 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.28 1uew h GLY 48 CO 1.17 0.65 0.11 -1.60 0.00 0.00 0.00 176.54 176.87 1uew s ARG 49 N -4.70 1.04 0.13 4.80 3.52 -1.14 -5.02 118.95 117.57 1uew s ARG 49 Ca -0.12 0.02 0.10 0.00 -0.13 0.00 0.00 55.73 55.60 1uew s ARG 49 Cb 0.10 0.48 -0.04 0.00 -1.56 0.00 0.00 34.95 33.93 1uew s ARG 49 CO 0.82 -0.35 -0.24 0.42 -0.81 0.00 0.00 175.30 175.14 1uew s ILE 50 N -1.76 2.05 0.04 4.11 1.01 -1.26 -0.78 121.20 124.61 1uew s ILE 50 Ca -0.09 -1.71 -0.21 0.00 0.00 0.00 0.00 60.65 58.64 1uew s ILE 50 Cb -0.01 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 1uew s ILE 50 CO 0.04 0.01 0.63 -0.63 0.00 0.00 0.00 174.94 174.99 1uew s ILE 51 N -1.18 4.79 0.55 2.92 -1.09 0.44 -4.98 121.20 122.66 1uew s ILE 51 Ca 0.12 1.35 -0.20 0.00 -2.23 0.00 0.00 60.65 59.68 1uew s ILE 51 Cb -0.10 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1uew s ILE 51 CO 0.06 0.45 1.20 -0.62 -1.23 0.00 0.00 174.94 174.79 1uew s ASP 52 N -0.46 5.51 0.00 3.58 -1.08 -1.26 -3.11 116.67 119.85 1uew s ASP 52 Ca 0.32 2.37 0.00 0.00 -0.52 0.00 0.00 52.55 54.72 1uew s ASP 52 Cb -0.19 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 1uew s ASP 52 CO 0.19 -1.37 0.00 0.61 0.52 0.00 0.00 175.17 175.12 1uew n GLY 53 N 0.44 0.07 3.81 2.66 0.00 -1.26 -4.96 105.19 105.96 1uew n GLY 53 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1uew n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uew s SER 54 N -2.03 4.08 0.56 1.61 1.04 -1.18 -4.82 113.70 112.96 1uew s SER 54 Ca 0.00 1.06 0.24 0.00 0.48 0.00 0.00 55.95 57.73 1uew s SER 54 Cb 0.00 -1.69 1.52 0.00 0.10 0.00 0.00 66.02 65.95 1uew s SER 54 CO 0.00 -2.20 2.12 1.55 0.98 0.00 0.00 173.24 175.69 1uew h PRO 55 N -1.25 0.00 0.09 4.02 0.13 -1.91 -0.60 132.00 132.48 1uew h PRO 55 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uew h PRO 55 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uew h PRO 55 CO 0.62 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.34 1uew h ALA 56 N 1.86 -0.12 -0.59 -0.56 0.00 -1.89 -2.30 119.26 115.67 1uew h ALA 56 Ca 0.08 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1uew h ALA 56 Cb 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1uew h ALA 56 CO -0.00 -0.30 0.34 0.22 0.00 0.00 0.00 179.25 179.51 1uew h ASP 57 N -0.66 0.52 0.44 0.00 1.82 -1.65 -1.05 116.42 115.84 1uew h ASP 57 Ca -0.01 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1uew h ASP 57 Cb 0.53 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1uew h ASP 57 CO 0.02 0.36 0.00 0.54 -1.61 0.00 0.00 179.24 178.55 1uew n ARG 58 N -4.79 0.35 0.03 0.28 1.74 -0.27 -3.38 116.66 110.63 1uew n ARG 58 Ca 0.06 0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 57.08 1uew n ARG 58 Cb 0.12 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1uew n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uew n ALA 60 N -2.53 0.00 0.31 0.00 0.00 -1.22 -4.52 120.51 112.55 1uew n ALA 60 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.55 1uew n ALA 60 Cb 0.70 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.85 1uew n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1uew h LYS 61 N 0.00 0.00 -5.01 0.00 1.57 -1.91 -3.42 116.57 107.81 1uew h LYS 61 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1uew h LYS 61 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 1uew h LYS 61 CO 0.00 0.00 -0.80 -1.17 -0.57 0.00 0.00 179.45 176.91 1uew s LEU 62 N -5.31 2.56 0.23 2.94 0.20 -1.26 -4.98 118.68 113.06 1uew s LEU 62 Ca 0.00 -0.62 0.00 0.00 0.69 0.00 0.00 54.13 54.20 1uew s LEU 62 Cb 0.09 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.22 1uew s LEU 62 CO 0.41 -0.03 0.15 -1.59 -0.29 0.00 0.00 176.35 175.00 1uew s LYS 63 N 1.35 1.31 -0.43 1.98 -2.85 -1.26 -4.80 119.74 115.03 1uew s LYS 63 Ca 0.04 -1.70 -0.28 0.00 -1.00 0.00 0.00 55.97 53.03 1uew s LYS 63 Cb -0.14 0.23 -0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1uew s LYS 63 CO -0.08 -0.42 1.58 0.08 0.10 0.00 0.00 175.35 176.60 1uew s VAL 64 N -4.01 3.69 0.00 1.79 1.01 -1.26 -3.00 120.40 118.62 1uew s VAL 64 Ca 0.39 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1uew s VAL 64 Cb 0.06 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1uew s VAL 64 CO 0.15 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.12 1uew n GLY 65 N 5.28 0.36 3.55 4.51 0.00 -1.26 -5.02 105.19 112.63 1uew n GLY 65 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1uew n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uew s ASP 66 N -0.38 5.38 0.41 1.61 1.01 -1.16 -4.89 116.67 118.65 1uew s ASP 66 Ca 0.00 -0.20 -0.25 0.00 0.71 0.00 0.00 52.55 52.81 1uew s ASP 66 Cb 0.00 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 1uew s ASP 66 CO 0.00 -2.41 1.04 0.54 0.21 0.00 0.00 175.17 174.55 1uew n ARG 67 N 9.07 1.42 -4.35 8.23 1.74 -1.26 -3.79 116.66 127.72 1uew n ARG 67 Ca 0.27 0.51 -0.29 0.00 -0.77 0.00 0.00 57.85 57.56 1uew n ARG 67 Cb 0.50 -2.07 -0.12 0.00 -1.02 0.00 0.00 32.46 29.76 1uew n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uew s ILE 68 N -1.25 2.75 0.00 0.55 1.01 -0.81 -1.53 121.20 121.92 1uew s ILE 68 Ca 0.62 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1uew s ILE 68 Cb -0.56 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1uew s ILE 68 CO 0.57 0.12 0.00 -0.11 0.00 0.00 0.00 174.94 175.52 1uew n LEU 69 N 0.88 0.42 -3.92 2.97 7.94 -0.44 -4.70 117.00 120.16 1uew n LEU 69 Ca -0.16 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.65 1uew n LEU 69 Cb 0.53 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.43 1uew n LEU 69 CO 0.27 -0.12 0.23 0.00 -1.11 0.00 0.00 177.39 176.66 1uew s ALA 70 N -1.75 -0.51 -0.08 1.96 0.00 -1.11 -3.18 121.76 117.09 1uew s ALA 70 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1uew s ALA 70 Cb 0.00 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1uew s ALA 70 CO 0.00 -0.86 -0.03 0.08 0.00 0.00 0.00 175.76 174.96 1uew s VAL 71 N -3.97 0.59 -1.63 0.00 1.01 -0.84 -0.89 120.40 114.67 1uew s VAL 71 Ca 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1uew s VAL 71 Cb -0.01 -0.69 0.12 0.00 0.00 0.00 0.00 36.38 35.80 1uew s VAL 71 CO 0.06 0.29 0.81 0.59 0.00 0.00 0.00 175.10 176.84 1uew n ASN 72 N 4.97 -3.41 0.00 3.32 3.02 -0.22 -1.00 115.26 121.95 1uew n ASN 72 Ca -0.10 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1uew n ASN 72 Cb 0.50 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1uew n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uew n GLY 73 N -1.54 1.82 3.67 7.41 0.00 -1.26 -4.98 105.19 110.31 1uew n GLY 73 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1uew n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1uew s GLN 74 N 0.00 4.28 -0.20 1.61 2.00 -0.17 -4.91 119.66 122.27 1uew s GLN 74 Ca 0.00 1.55 -0.29 0.00 -2.00 0.00 0.00 55.36 54.62 1uew s GLN 74 Cb 0.00 -3.67 -0.05 0.00 0.80 0.00 0.00 33.01 30.10 1uew s GLN 74 CO 0.00 -0.60 2.00 -1.54 -0.50 0.00 0.00 175.29 174.65 1uew s SER 75 N 1.57 5.84 0.00 6.67 1.04 -1.26 -1.99 113.70 125.58 1uew s SER 75 Ca 0.51 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.79 1uew s SER 75 Cb -0.20 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1uew s SER 75 CO 0.14 -1.66 0.53 2.30 0.98 0.00 0.00 173.24 175.52 1uew n ILE 76 N 7.14 0.00 0.00 -1.02 -6.64 -1.19 -4.45 119.36 113.20 1uew n ILE 76 Ca 0.25 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.23 1uew n ILE 76 Cb 0.45 -0.24 0.00 0.00 -1.44 0.00 0.00 39.64 38.41 1uew n ILE 76 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 1uew n ILE 77 N -0.22 0.00 0.99 7.28 5.41 -1.26 -4.20 119.36 127.36 1uew n ILE 77 Ca 0.00 0.11 0.12 0.00 1.00 0.00 0.00 62.75 63.99 1uew n ILE 77 Cb 0.07 -0.27 0.58 0.00 -0.71 0.00 0.00 39.64 39.31 1uew n ILE 77 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1uew n ASN 78 N -0.19 0.00 -4.64 4.38 4.13 -1.26 -4.91 115.26 112.77 1uew n ASN 78 Ca 0.00 0.32 -0.42 0.00 1.68 0.00 0.00 54.58 56.16 1uew n ASN 78 Cb 0.00 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 1uew n ASN 78 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1uew n MET 79 N -1.44 1.60 -1.81 3.52 1.56 -1.26 -4.94 117.12 114.36 1uew n MET 79 Ca 0.08 0.57 -0.41 0.00 -0.27 0.00 0.00 57.70 57.67 1uew n MET 79 Cb 0.27 -2.13 -0.00 0.00 2.15 0.00 0.00 33.22 33.51 1uew n MET 79 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1uew s PRO 80 N -1.96 4.12 0.26 2.12 0.02 -1.26 -4.89 135.00 133.40 1uew s PRO 80 Ca 0.61 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 64.14 1uew s PRO 80 Cb -0.57 -2.98 0.31 0.00 0.02 0.00 0.00 34.50 31.28 1uew s PRO 80 CO 0.58 -0.53 1.92 1.25 -0.33 0.00 0.00 177.00 179.89 1uew h HIS 81 N 3.17 1.24 0.00 6.54 2.76 -1.95 0.37 115.15 127.27 1uew h HIS 81 Ca -0.50 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.66 1uew h HIS 81 Cb 1.24 -0.42 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 1uew h HIS 81 CO 0.54 0.75 -0.16 0.00 -1.30 0.00 0.00 177.93 177.75 1uew h ALA 82 N 1.40 1.08 -0.05 5.26 0.00 -1.99 -2.33 119.26 122.62 1uew h ALA 82 Ca 0.38 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1uew h ALA 82 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uew h ALA 82 CO -0.10 0.20 -0.28 0.22 0.00 0.00 0.00 179.25 179.29 1uew h ASP 83 N 0.00 0.33 -0.98 0.00 3.58 -1.31 -1.71 116.42 116.33 1uew h ASP 83 Ca -0.00 -0.67 0.09 0.00 0.42 0.00 0.00 57.03 56.87 1uew h ASP 83 Cb 0.60 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.47 1uew h ASP 83 CO 0.02 0.95 0.62 0.40 -2.88 0.00 0.00 179.24 178.35 1uew h ILE 84 N -0.26 1.01 -0.36 2.25 2.04 -1.33 0.48 117.51 121.33 1uew h ILE 84 Ca -0.02 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1uew h ILE 84 Cb 0.95 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1uew h ILE 84 CO 0.06 0.19 -0.02 0.58 0.00 0.00 0.00 178.15 178.96 1uew h VAL 85 N 1.07 1.27 -0.33 1.67 2.07 -1.39 -2.13 116.25 118.48 1uew h VAL 85 Ca 0.45 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1uew h VAL 85 Cb 0.31 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1uew h VAL 85 CO -0.21 0.34 -0.00 0.50 0.02 0.00 0.00 177.57 178.22 1uew h LYS 86 N 0.46 0.09 -1.01 1.57 3.64 -0.66 -2.47 116.57 118.19 1uew h LYS 86 Ca 0.10 -0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.72 1uew h LYS 86 Cb 0.50 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.18 1uew h LYS 86 CO 0.02 0.06 0.61 -0.07 -2.27 0.00 0.00 179.45 177.80 1uew h LEU 87 N 0.09 0.65 -0.00 5.20 -0.00 -0.70 0.20 115.31 120.75 1uew h LEU 87 Ca 0.16 0.12 -0.11 0.00 -0.00 0.00 0.00 57.88 58.06 1uew h LEU 87 Cb 0.21 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1uew h LEU 87 CO -0.27 0.12 -0.41 0.40 -0.00 0.00 0.00 178.44 178.28 1uew h ILE 88 N 0.57 1.49 -0.03 1.22 2.04 -0.94 -1.05 117.51 120.82 1uew h ILE 88 Ca 0.63 -2.01 0.02 0.00 1.00 0.00 0.00 64.86 64.49 1uew h ILE 88 Cb 1.24 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.99 1uew h ILE 88 CO -0.43 0.57 -0.09 0.50 0.00 0.00 0.00 178.15 178.69 1uew h LYS 89 N -0.33 -0.14 0.00 2.37 3.64 -1.03 -2.42 116.57 118.66 1uew h LYS 89 Ca -0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1uew h LYS 89 Cb 1.15 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1uew h LYS 89 CO 0.08 -0.09 0.11 0.22 -2.27 0.00 0.00 179.45 177.50 1uew h ASP 90 N -0.14 0.00 0.03 4.20 3.58 -0.66 -2.61 116.42 120.82 1uew h ASP 90 Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1uew h ASP 90 Cb 0.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1uew h ASP 90 CO -0.11 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.23 1uew h ALA 91 N 1.77 1.66 0.00 -0.78 0.00 -0.66 -3.49 119.26 117.77 1uew h ALA 91 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uew h ALA 91 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uew h ALA 91 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1uew n GLY 92 N -1.34 -0.20 0.17 0.00 0.00 -0.98 -4.35 105.19 98.48 1uew n GLY 92 Ca -0.03 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 1uew n GLY 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uew h LEU 93 N 0.00 0.30 -9.83 0.99 3.38 -1.88 -3.45 115.31 104.82 1uew h LEU 93 Ca 0.00 -0.17 -0.59 0.00 0.09 0.00 0.00 57.88 57.21 1uew h LEU 93 Cb 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1uew h LEU 93 CO 0.00 0.83 -0.24 -0.44 0.09 0.00 0.00 178.44 178.69 1uew s SER 94 N -6.90 6.64 -0.00 -0.43 0.01 -1.26 -2.03 113.70 109.72 1uew s SER 94 Ca -0.04 0.80 -0.01 0.00 1.31 0.00 0.00 55.95 58.00 1uew s SER 94 Cb 0.12 -2.18 -0.00 0.00 0.21 0.00 0.00 66.02 64.17 1uew s SER 94 CO 0.80 0.15 0.03 0.54 0.41 0.00 0.00 173.24 175.17 1uew s VAL 95 N -1.43 0.03 -0.37 3.43 0.11 -0.59 -4.64 120.40 116.94 1uew s VAL 95 Ca 0.34 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 1uew s VAL 95 Cb -0.14 -0.14 0.09 0.00 -1.53 0.00 0.00 36.38 34.67 1uew s VAL 95 CO 0.19 -0.15 0.13 -0.89 -3.33 0.00 0.00 175.10 171.04 1uew s THR 96 N -0.46 3.06 -0.35 5.04 2.01 -1.26 -1.56 115.64 122.13 1uew s THR 96 Ca -0.05 -1.92 -0.21 0.00 0.31 0.00 0.00 61.69 59.82 1uew s THR 96 Cb -0.03 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1uew s THR 96 CO -0.00 -0.52 0.67 -0.76 -0.69 0.00 0.00 174.62 173.32 1uew s LEU 97 N 1.14 4.21 -0.41 4.42 1.43 -0.13 -1.05 118.68 128.28 1uew s LEU 97 Ca 0.05 0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.16 1uew s LEU 97 Cb -0.21 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.18 1uew s LEU 97 CO -0.04 -0.60 0.85 -0.60 0.23 0.00 0.00 176.35 176.19 1uew s ARG 98 N 2.77 3.63 0.38 1.70 3.52 -0.07 -0.96 118.95 129.92 1uew s ARG 98 Ca 0.26 0.22 0.08 0.00 -0.13 0.00 0.00 55.73 56.16 1uew s ARG 98 Cb -0.14 -3.87 -0.05 0.00 -1.56 0.00 0.00 34.95 29.33 1uew s ARG 98 CO 0.15 -1.04 0.15 0.96 -0.81 0.00 0.00 175.30 174.71 1uew s ILE 99 N 3.40 2.54 -0.26 4.11 -5.25 -0.36 -1.33 121.20 124.05 1uew s ILE 99 Ca 0.34 -1.73 -0.13 0.00 -0.99 0.00 0.00 60.65 58.13 1uew s ILE 99 Cb -0.12 -2.96 -0.04 0.00 2.95 0.00 0.00 42.46 42.29 1uew s ILE 99 CO 0.21 -0.08 0.29 -0.63 -1.79 0.00 0.00 174.94 172.95 1uew s ILE 100 N -2.54 5.25 0.61 8.37 1.09 -0.58 -1.43 121.20 131.96 1uew s ILE 100 Ca 0.39 0.42 -0.03 0.00 -1.10 0.00 0.00 60.65 60.33 1uew s ILE 100 Cb 0.02 -3.62 0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1uew s ILE 100 CO 0.22 0.23 0.88 -2.16 -0.10 0.00 0.00 174.94 174.01 1uew s PRO 101 N 1.70 2.53 0.10 2.79 0.04 -1.26 -4.52 135.00 136.39 1uew s PRO 101 Ca 0.12 -0.41 0.03 0.00 0.04 0.00 0.00 61.00 60.78 1uew s PRO 101 Cb -0.15 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1uew s PRO 101 CO 0.09 -0.86 -0.09 -0.65 0.04 0.00 0.00 177.00 175.53 1uew s GLN 102 N -4.97 0.86 0.00 4.56 1.11 -1.26 -4.97 119.66 114.99 1uew s GLN 102 Ca 0.57 -1.24 0.00 0.00 0.01 0.00 0.00 55.36 54.70 1uew s GLN 102 Cb -0.10 -0.43 0.00 0.00 -1.01 0.00 0.00 33.01 31.46 1uew s GLN 102 CO 0.42 0.05 0.10 -0.85 0.01 0.00 0.00 175.29 175.02 1uew n GLU 103 N 0.30 -0.19 -2.70 2.91 0.00 -1.26 -4.87 120.64 114.84 1uew n GLU 103 Ca -0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 57.16 56.84 1uew n GLU 103 Cb 0.59 -0.60 0.10 0.00 0.00 0.00 0.00 31.44 31.53 1uew n GLU 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1uew n GLU 104 N -0.00 1.18 -4.73 3.44 0.00 -1.26 -5.06 120.64 114.21 1uew n GLU 104 Ca 0.00 -2.10 -0.30 0.00 0.00 0.00 0.00 57.16 54.76 1uew n GLU 104 Cb 0.20 -0.30 -0.17 0.00 0.00 0.00 0.00 31.44 31.17 1uew n GLU 104 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1uew s LEU 105 N -3.16 1.91 -1.19 4.31 2.96 -1.26 -4.79 118.68 117.47 1uew s LEU 105 Ca 0.23 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1uew s LEU 105 Cb 0.41 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1uew s LEU 105 CO -0.06 0.07 0.78 -3.20 -1.32 0.00 0.00 176.35 172.61 1uew n ASN 106 N 3.94 -4.01 -4.66 3.68 2.85 -1.26 -4.94 115.26 110.85 1uew n ASN 106 Ca -0.20 -0.89 -0.49 0.00 -0.11 0.00 0.00 54.58 52.90 1uew n ASN 106 Cb 0.52 -3.99 -0.05 0.00 1.24 0.00 0.00 39.78 37.50 1uew n ASN 106 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1uew n SER 107 N -2.93 2.86 -4.55 1.20 7.64 -1.26 -4.82 113.62 111.76 1uew n SER 107 Ca -0.17 1.06 -0.32 0.00 1.01 0.00 0.00 58.87 60.45 1uew n SER 107 Cb 0.63 -1.34 -0.04 0.00 -1.01 0.00 0.00 64.21 62.45 1uew n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1uew s PRO 108 N 1.98 2.22 0.29 1.43 0.04 -1.26 -4.84 135.00 134.86 1uew s PRO 108 Ca 0.86 0.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 1uew s PRO 108 Cb -0.77 -4.62 0.02 0.00 0.04 0.00 0.00 34.50 29.17 1uew s PRO 108 CO 0.46 -3.33 0.72 -1.54 0.04 0.00 0.00 177.00 173.35 1uew s SER 109 N 10.25 -0.23 0.00 6.66 1.04 -1.26 -5.14 113.70 125.02 1uew s SER 109 Ca 0.84 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1uew s SER 109 Cb -0.14 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1uew s SER 109 CO 0.18 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1uew n GLY 110 N -0.46 0.89 0.26 7.32 0.00 -1.26 -5.05 105.19 106.89 1uew n GLY 110 Ca -0.04 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.94 1uew n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uew h PRO 111 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.49 132.00 128.24 1uew h PRO 111 Ca 0.00 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.49 1uew h PRO 111 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1uew h PRO 111 CO 0.00 0.10 -0.48 0.43 -0.23 0.00 0.00 178.00 177.82 1uew n SER 112 N -3.26 -7.97 0.01 1.44 7.64 -1.26 -5.02 113.62 105.20 1uew n SER 112 Ca -0.00 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1uew n SER 112 Cb 0.33 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1uew n SER 112 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uew n SER 113 N -4.29 -0.08 -0.38 6.43 7.64 -1.26 -5.34 113.62 116.33 1uew n SER 113 Ca 0.01 0.02 0.05 0.00 1.01 0.00 0.00 58.87 59.96 1uew n SER 113 Cb 0.60 0.46 0.04 0.00 -1.01 0.00 0.00 64.21 64.30 1uew n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64