#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhp n SER 2 N 0.00 0.35 -4.69 1.61 2.88 -1.26 -5.01 113.62 107.49 1uhp n SER 2 Ca 0.00 0.06 -0.63 0.00 -1.33 0.00 0.00 58.87 56.97 1uhp n SER 2 Cb 0.00 -0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.23 1uhp n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhp n SER 3 N -3.22 1.43 -4.17 -3.46 7.64 -1.26 -4.93 113.62 105.65 1uhp n SER 3 Ca -0.09 1.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.81 1uhp n SER 3 Cb 0.56 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 1uhp n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uhp s GLY 4 N 2.58 0.79 -0.20 0.23 0.00 -1.26 -5.12 107.32 104.34 1uhp s GLY 4 Ca 1.00 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.19 1uhp s GLY 4 CO 0.71 -1.35 0.95 -0.45 0.00 0.00 0.00 173.10 172.97 1uhp s SER 5 N -2.74 7.05 -0.02 1.64 0.15 -1.26 -5.02 113.70 113.50 1uhp s SER 5 Ca 0.08 1.30 -0.04 0.00 0.70 0.00 0.00 55.95 57.99 1uhp s SER 5 Cb 0.01 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1uhp s SER 5 CO -0.02 -0.55 0.10 -0.55 1.20 0.00 0.00 173.24 173.42 1uhp s SER 6 N 1.20 -0.02 -0.04 5.45 0.15 -1.26 -4.88 113.70 114.30 1uhp s SER 6 Ca 0.42 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 1uhp s SER 6 Cb -0.16 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1uhp s SER 6 CO 0.10 -0.18 0.07 0.61 1.20 0.00 0.00 173.24 175.04 1uhp n GLY 7 N 2.34 -5.41 3.46 9.45 0.00 -1.26 -4.98 105.19 108.79 1uhp n GLY 7 Ca -0.17 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1uhp n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uhp s LYS 8 N -0.59 1.66 -0.26 1.61 2.47 -1.11 -4.99 119.74 118.54 1uhp s LYS 8 Ca -0.08 -1.41 -0.03 0.00 -1.56 0.00 0.00 55.97 52.89 1uhp s LYS 8 Cb 0.01 -1.95 0.02 0.00 -1.46 0.00 0.00 37.83 34.44 1uhp s LYS 8 CO 0.21 0.42 -0.03 -1.54 0.16 0.00 0.00 175.35 174.58 1uhp s SER 9 N -2.59 4.50 0.00 1.43 1.04 -1.26 -0.83 113.70 115.99 1uhp s SER 9 Ca 0.21 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 1uhp s SER 9 Cb -0.09 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 1uhp s SER 9 CO 0.11 -0.14 0.12 -0.76 0.98 0.00 0.00 173.24 173.55 1uhp s LEU 10 N 1.36 4.07 -0.08 2.42 1.02 -0.50 -4.91 118.68 122.05 1uhp s LEU 10 Ca 0.01 0.21 -0.07 0.00 0.02 0.00 0.00 54.13 54.29 1uhp s LEU 10 Cb -0.17 -2.44 -0.04 0.00 0.02 0.00 0.00 46.19 43.56 1uhp s LEU 10 CO -0.03 0.26 0.19 -0.89 0.02 0.00 0.00 176.35 175.89 1uhp s THR 11 N -1.27 5.43 -0.03 5.49 2.01 -1.26 -1.56 115.64 124.45 1uhp s THR 11 Ca 0.25 0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.47 1uhp s THR 11 Cb -0.12 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1uhp s THR 11 CO 0.17 0.56 0.06 -0.76 -0.69 0.00 0.00 174.62 173.96 1uhp s LEU 12 N -1.20 1.49 -0.32 4.42 1.02 0.56 -4.97 118.68 119.69 1uhp s LEU 12 Ca 0.18 0.13 -0.13 0.00 0.02 0.00 0.00 54.13 54.33 1uhp s LEU 12 Cb -0.13 0.17 -0.03 0.00 0.02 0.00 0.00 46.19 46.22 1uhp s LEU 12 CO 0.08 -0.06 0.25 -0.69 0.02 0.00 0.00 176.35 175.95 1uhp s VAL 13 N 0.40 5.27 0.16 -1.59 1.01 -1.21 0.13 120.40 124.58 1uhp s VAL 13 Ca -0.03 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1uhp s VAL 13 Cb -0.04 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1uhp s VAL 13 CO -0.01 0.06 0.08 -0.76 0.00 0.00 0.00 175.10 174.47 1uhp s LEU 14 N 1.80 3.60 0.00 3.92 1.43 0.20 -3.74 118.68 125.89 1uhp s LEU 14 Ca 0.08 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1uhp s LEU 14 Cb -0.17 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 1uhp s LEU 14 CO 0.11 0.08 0.01 1.41 0.23 0.00 0.00 176.35 178.19 1uhp n HIS 15 N -0.22 0.58 -3.70 0.29 8.25 -1.26 -2.13 115.22 117.03 1uhp n HIS 15 Ca -0.09 -1.47 -0.29 0.00 -0.26 0.00 0.00 57.72 55.61 1uhp n HIS 15 Cb 0.55 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 1uhp n HIS 15 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1uhp s ARG 16 N -3.04 1.30 -1.24 -0.41 0.52 -1.26 -4.32 118.95 110.50 1uhp s ARG 16 Ca 0.02 -2.05 -0.18 0.00 -0.52 0.00 0.00 55.73 53.01 1uhp s ARG 16 Cb 0.00 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 1uhp s ARG 16 CO 0.01 -1.18 2.01 -3.47 0.02 0.00 0.00 175.30 172.69 1uhp n ASP 17 N 3.46 3.74 -2.12 0.23 2.03 -0.97 -4.23 116.55 118.70 1uhp n ASP 17 Ca 0.10 -2.81 -0.03 0.00 0.52 0.00 0.00 54.79 52.57 1uhp n ASP 17 Cb 0.35 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1uhp n ASP 17 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1uhp n SER 18 N 7.92 -4.66 -4.07 1.67 2.88 -1.26 -4.19 113.62 111.91 1uhp n SER 18 Ca 0.50 0.21 -0.45 0.00 -1.33 0.00 0.00 58.87 57.80 1uhp n SER 18 Cb 0.42 -2.97 0.02 0.00 -0.75 0.00 0.00 64.21 60.93 1uhp n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhp n GLY 19 N -0.53 -0.79 3.15 0.46 0.00 -1.26 -4.92 105.19 101.30 1uhp n GLY 19 Ca 0.05 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.43 1uhp n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhp s SER 20 N -3.61 -0.81 0.40 1.61 0.01 -1.26 -5.01 113.70 105.03 1uhp s SER 20 Ca 0.46 0.31 0.10 0.00 1.31 0.00 0.00 55.95 58.13 1uhp s SER 20 Cb -0.26 1.60 0.84 0.00 0.21 0.00 0.00 66.02 68.41 1uhp s SER 20 CO 0.92 -0.15 1.95 -0.07 0.41 0.00 0.00 173.24 176.30 1uhp h LEU 21 N 7.79 0.20 -0.00 2.44 -0.00 -1.92 -2.57 115.31 121.26 1uhp h LEU 21 Ca -0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1uhp h LEU 21 Cb 1.17 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1uhp h LEU 21 CO 0.01 0.33 0.00 0.61 -0.00 0.00 0.00 178.44 179.39 1uhp n GLY 22 N -0.96 1.62 3.81 0.83 0.00 -1.26 -3.20 105.19 106.03 1uhp n GLY 22 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1uhp n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1uhp n PHE 23 N -0.65 -0.43 -4.20 1.61 -1.74 -1.26 0.19 117.46 110.98 1uhp n PHE 23 Ca 0.00 -0.72 -0.12 0.00 -0.56 0.00 0.00 57.45 56.05 1uhp n PHE 23 Cb 0.00 0.33 -0.10 0.00 1.52 0.00 0.00 39.48 41.23 1uhp n PHE 23 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1uhp s ASN 24 N -3.69 1.09 0.21 5.98 2.47 -0.31 -4.91 114.94 115.78 1uhp s ASN 24 Ca 0.28 -1.11 0.05 0.00 0.42 0.00 0.00 52.86 52.50 1uhp s ASN 24 Cb -0.01 0.13 -0.05 0.00 -1.45 0.00 0.00 41.25 39.87 1uhp s ASN 24 CO -0.00 -0.55 -0.06 0.27 -3.72 0.00 0.00 177.10 173.04 1uhp s ILE 25 N -3.69 1.28 0.22 -5.21 -4.36 -1.26 -3.24 121.20 104.94 1uhp s ILE 25 Ca 0.19 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.53 1uhp s ILE 25 Cb 0.06 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 1uhp s ILE 25 CO 0.00 -0.48 0.01 0.27 0.24 0.00 0.00 174.94 174.99 1uhp s ILE 26 N -3.26 0.87 0.00 8.37 -4.36 0.36 -4.83 121.20 118.35 1uhp s ILE 26 Ca 0.24 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1uhp s ILE 26 Cb 0.04 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1uhp s ILE 26 CO 0.07 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1uhp n GLY 27 N -0.39 -2.91 1.48 6.27 0.00 -1.26 -1.90 105.19 106.49 1uhp n GLY 27 Ca -0.05 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1uhp n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhp n GLY 28 N -0.14 -4.75 0.00 -0.02 0.00 -1.21 -3.56 105.19 95.51 1uhp n GLY 28 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1uhp n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uhp n ARG 29 N 1.11 0.00 -2.31 1.61 5.12 -1.26 -4.42 116.66 116.51 1uhp n ARG 29 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 1uhp n ARG 29 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1uhp n ARG 29 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1uhp s PRO 30 N -0.44 3.08 0.20 5.56 0.04 -1.26 -4.17 135.00 138.02 1uhp s PRO 30 Ca 0.00 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1uhp s PRO 30 Cb 0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1uhp s PRO 30 CO 0.00 -2.22 0.00 0.43 0.04 0.00 0.00 177.00 175.25 1uhp n SER 31 N 10.49 -1.78 -4.39 6.66 7.64 -1.26 -5.03 113.62 125.95 1uhp n SER 31 Ca 0.13 0.66 -0.25 0.00 1.01 0.00 0.00 58.87 60.42 1uhp n SER 31 Cb 0.50 1.93 -0.09 0.00 -1.01 0.00 0.00 64.21 65.53 1uhp n SER 31 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uhp n VAL 32 N -3.14 0.83 -3.64 0.44 0.31 -1.26 -4.67 118.33 107.19 1uhp n VAL 32 Ca 0.00 -0.84 -0.02 0.00 -0.01 0.00 0.00 64.34 63.47 1uhp n VAL 32 Cb 0.00 -2.09 -0.05 0.00 -0.91 0.00 0.00 33.84 30.79 1uhp n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1uhp s ASP 33 N 7.38 -0.05 -0.35 4.52 2.15 -1.26 -2.72 116.67 126.35 1uhp s ASP 33 Ca 0.74 0.07 -0.07 0.00 0.43 0.00 0.00 52.55 53.73 1uhp s ASP 33 Cb 0.00 0.07 0.20 0.00 -0.30 0.00 0.00 42.92 42.89 1uhp s ASP 33 CO 0.18 -0.03 1.04 0.21 -0.17 0.00 0.00 175.17 176.40 1uhp s ASN 34 N -0.58 -0.42 0.06 -0.34 2.47 -1.26 -5.04 114.94 109.83 1uhp s ASN 34 Ca 0.08 -0.35 0.00 0.00 0.42 0.00 0.00 52.86 53.01 1uhp s ASN 34 Cb -0.03 0.54 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 1uhp s ASN 34 CO -0.11 -0.03 0.00 1.57 -3.72 0.00 0.00 177.10 174.81 1uhp n HIS 35 N 3.19 -1.75 0.00 0.43 -0.00 -1.26 -5.09 115.22 110.74 1uhp n HIS 35 Ca 0.09 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1uhp n HIS 35 Cb 0.63 0.76 0.00 0.00 -0.12 0.00 0.00 29.99 31.26 1uhp n HIS 35 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1uhp n ASP 36 N -2.32 0.00 0.00 0.26 -0.08 -1.26 -5.15 116.55 108.00 1uhp n ASP 36 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1uhp n ASP 36 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1uhp n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uhp n GLY 37 N 0.00 0.09 2.34 0.27 0.00 -1.26 -5.01 105.19 101.63 1uhp n GLY 37 Ca 0.00 -0.99 0.15 0.00 0.00 0.00 0.00 46.02 45.17 1uhp n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhp n SER 38 N -1.89 -7.32 0.00 1.61 7.64 -1.26 -4.78 113.62 107.62 1uhp n SER 38 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1uhp n SER 38 Cb 0.00 -3.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 1uhp n SER 38 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhp n SER 39 N -4.10 0.00 -4.52 6.43 2.88 -1.26 -4.88 113.62 108.16 1uhp n SER 39 Ca 0.01 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.12 1uhp n SER 39 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1uhp n SER 39 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhp s SER 40 N 0.00 6.35 0.29 -3.46 0.15 -1.10 -5.00 113.70 110.92 1uhp s SER 40 Ca 0.00 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.30 1uhp s SER 40 Cb 0.00 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 1uhp s SER 40 CO 0.00 -0.89 0.39 -1.61 1.20 0.00 0.00 173.24 172.33 1uhp s GLU 41 N 3.10 1.65 0.10 5.44 0.41 -1.26 -4.81 118.70 123.33 1uhp s GLU 41 Ca 0.25 -1.61 -0.26 0.00 -0.41 0.00 0.00 54.97 52.94 1uhp s GLU 41 Cb -0.14 0.41 0.08 0.00 -1.78 0.00 0.00 34.13 32.70 1uhp s GLU 41 CO 0.20 -0.65 0.96 0.20 -0.49 0.00 0.00 175.26 175.48 1uhp s GLY 42 N -3.17 -0.30 -0.15 -1.39 0.00 -1.26 -4.67 107.32 96.37 1uhp s GLY 42 Ca 0.31 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.40 1uhp s GLY 42 CO 0.16 0.10 -0.06 -0.42 0.00 0.00 0.00 173.10 172.88 1uhp s ILE 43 N -3.19 3.64 0.02 0.90 -1.09 -1.25 -3.29 121.20 116.95 1uhp s ILE 43 Ca 0.10 -0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 58.02 1uhp s ILE 43 Cb -0.01 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1uhp s ILE 43 CO -0.01 0.50 0.09 -0.36 -1.23 0.00 0.00 174.94 173.93 1uhp s PHE 44 N 0.43 0.14 -0.22 3.97 0.40 -0.80 -2.77 117.98 119.13 1uhp s PHE 44 Ca -0.05 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1uhp s PHE 44 Cb -0.15 -0.11 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 1uhp s PHE 44 CO 0.03 -0.30 0.35 0.08 0.70 0.00 0.00 175.22 176.08 1uhp s VAL 45 N -1.84 5.23 -0.19 -0.44 1.01 0.95 0.14 120.40 125.25 1uhp s VAL 45 Ca -0.11 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1uhp s VAL 45 Cb -0.06 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1uhp s VAL 45 CO -0.01 0.26 0.25 -0.24 0.00 0.00 0.00 175.10 175.36 1uhp n SER 46 N 4.51 0.44 -3.77 3.32 2.88 -1.20 0.11 113.62 119.92 1uhp n SER 46 Ca -0.10 -0.72 -0.13 0.00 -1.33 0.00 0.00 58.87 56.59 1uhp n SER 46 Cb 0.51 0.72 -0.10 0.00 -0.75 0.00 0.00 64.21 64.59 1uhp n SER 46 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1uhp s LYS 47 N -0.96 0.52 -0.14 -1.46 2.20 -1.24 -4.88 119.74 113.77 1uhp s LYS 47 Ca 0.02 0.09 -0.05 0.00 -0.36 0.00 0.00 55.97 55.66 1uhp s LYS 47 Cb 0.02 0.24 0.07 0.00 -1.51 0.00 0.00 37.83 36.65 1uhp s LYS 47 CO 0.09 -0.11 0.29 0.42 -0.36 0.00 0.00 175.35 175.68 1uhp s ILE 48 N -0.64 -0.40 -0.11 5.43 1.01 -1.26 -1.16 121.20 124.07 1uhp s ILE 48 Ca -0.07 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 1uhp s ILE 48 Cb -0.04 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1uhp s ILE 48 CO 0.02 0.10 1.54 -0.69 0.00 0.00 0.00 174.94 175.92 1uhp s VAL 49 N 2.30 3.79 0.00 2.92 1.01 0.50 -4.92 120.40 126.00 1uhp s VAL 49 Ca -0.01 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1uhp s VAL 49 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1uhp s VAL 49 CO -0.09 -0.11 0.90 -0.67 0.00 0.00 0.00 175.10 175.12 1uhp n ASP 50 N 7.17 0.00 0.29 3.32 2.03 -1.26 -1.01 116.55 127.09 1uhp n ASP 50 Ca 0.17 0.90 0.16 0.00 0.52 0.00 0.00 54.79 56.54 1uhp n ASP 50 Cb 0.44 -0.40 0.87 0.00 -0.72 0.00 0.00 41.12 41.31 1uhp n ASP 50 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1uhp h SER 51 N 0.00 0.00 -3.74 1.67 0.87 -1.95 -3.25 113.55 107.16 1uhp h SER 51 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 1uhp h SER 51 Cb 0.00 0.00 0.18 0.00 -0.44 0.00 0.00 62.40 62.14 1uhp h SER 51 CO 0.00 0.00 0.03 0.61 -0.53 0.00 0.00 176.83 176.94 1uhp n GLY 52 N -1.19 -0.61 0.00 5.77 0.00 -0.18 -4.72 105.19 104.26 1uhp n GLY 52 Ca -0.02 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1uhp n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhp n PRO 53 N -1.90 0.56 0.08 1.61 -0.04 -1.26 -0.72 135.00 133.35 1uhp n PRO 53 Ca 0.12 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1uhp n PRO 53 Cb 0.50 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 1uhp n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uhp h ALA 54 N 3.31 0.01 0.08 0.55 0.00 -1.77 1.34 119.26 122.79 1uhp h ALA 54 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 54.91 53.59 1uhp h ALA 54 Cb 0.09 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1uhp h ALA 54 CO 0.00 0.78 -1.94 0.00 0.00 0.00 0.00 179.25 178.09 1uhp n ALA 55 N -2.81 1.08 -1.00 0.00 0.00 -1.12 0.15 120.51 116.82 1uhp n ALA 55 Ca -0.21 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1uhp n ALA 55 Cb 1.02 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1uhp n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uhp n LYS 56 N -3.34 0.00 -0.09 0.00 4.76 0.10 -4.22 118.16 115.37 1uhp n LYS 56 Ca -0.28 0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.16 1uhp n LYS 56 Cb 1.05 -0.87 -0.15 0.00 -1.84 0.00 0.00 35.03 33.22 1uhp n LYS 56 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1uhp n GLU 57 N -0.46 0.89 -0.33 1.97 1.02 -1.21 -4.57 120.64 117.95 1uhp n GLU 57 Ca 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1uhp n GLU 57 Cb 0.00 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 1uhp n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uhp n GLY 58 N 1.81 -2.04 0.00 0.62 0.00 0.46 -4.72 105.19 101.32 1uhp n GLY 58 Ca -0.30 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1uhp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhp n GLY 59 N -1.19 0.07 3.40 -0.02 0.00 0.12 -3.30 105.19 104.27 1uhp n GLY 59 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1uhp n GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uhp n LEU 60 N 0.00 -1.06 -3.66 0.99 7.94 -0.73 -5.00 117.00 115.48 1uhp n LEU 60 Ca 0.00 0.01 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1uhp n LEU 60 Cb 0.00 -1.15 -0.09 0.00 0.53 0.00 0.00 43.42 42.71 1uhp n LEU 60 CO 0.00 -3.16 0.22 -1.10 -1.11 0.00 0.00 177.39 172.24 1uhp s GLN 61 N -3.90 0.57 0.80 1.96 -0.21 -1.26 -4.72 119.66 112.90 1uhp s GLN 61 Ca 0.61 1.04 -0.17 0.00 0.02 0.00 0.00 55.36 56.86 1uhp s GLN 61 Cb -0.19 0.07 -0.11 0.00 1.00 0.00 0.00 33.01 33.78 1uhp s GLN 61 CO 0.65 -0.15 -0.24 -0.89 -2.12 0.00 0.00 175.29 172.54 1uhp n ILE 62 N 4.31 0.33 -3.48 1.08 5.41 -1.26 -2.71 119.36 123.04 1uhp n ILE 62 Ca -0.21 -0.45 -0.20 0.00 1.00 0.00 0.00 62.75 62.89 1uhp n ILE 62 Cb 0.57 -0.20 0.08 0.00 -0.71 0.00 0.00 39.64 39.39 1uhp n ILE 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1uhp n HIS 63 N -2.31 -2.45 -4.66 1.39 8.25 0.31 -4.97 115.22 110.78 1uhp n HIS 63 Ca 0.04 0.95 -0.24 0.00 -0.26 0.00 0.00 57.72 58.21 1uhp n HIS 63 Cb 0.52 -5.00 -0.16 0.00 1.12 0.00 0.00 29.99 26.47 1uhp n HIS 63 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uhp s ASP 64 N -3.88 1.85 -0.40 0.41 1.11 -1.10 -4.91 116.67 109.74 1uhp s ASP 64 Ca 0.26 -0.30 -0.16 0.00 0.18 0.00 0.00 52.55 52.52 1uhp s ASP 64 Cb -0.11 -0.64 0.02 0.00 1.07 0.00 0.00 42.92 43.26 1uhp s ASP 64 CO 0.71 0.09 0.37 -0.60 1.18 0.00 0.00 175.17 176.92 1uhp s ARG 65 N 0.29 3.12 0.38 8.23 3.52 -1.26 -0.04 118.95 133.20 1uhp s ARG 65 Ca -0.08 -0.81 -0.27 0.00 -0.13 0.00 0.00 55.73 54.43 1uhp s ARG 65 Cb -0.13 -3.95 -0.10 0.00 -1.56 0.00 0.00 34.95 29.22 1uhp s ARG 65 CO 0.02 -0.76 1.39 0.42 -0.81 0.00 0.00 175.30 175.57 1uhp s ILE 66 N 1.93 2.37 -0.17 4.11 1.01 -1.12 -2.23 121.20 127.10 1uhp s ILE 66 Ca 0.09 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1uhp s ILE 66 Cb -0.18 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 1uhp s ILE 66 CO 0.12 0.08 -0.18 -0.38 0.00 0.00 0.00 174.94 174.58 1uhp n ILE 67 N 0.41 0.95 -3.71 2.92 2.08 0.37 -4.13 119.36 118.25 1uhp n ILE 67 Ca 0.02 -0.31 -0.13 0.00 0.56 0.00 0.00 62.75 62.89 1uhp n ILE 67 Cb 0.41 -1.35 -0.07 0.00 -0.75 0.00 0.00 39.64 37.88 1uhp n ILE 67 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1uhp s GLU 68 N -2.32 0.82 -0.13 0.38 2.56 -1.22 -3.24 118.70 115.54 1uhp s GLU 68 Ca -0.23 -0.33 -0.04 0.00 0.00 0.00 0.00 54.97 54.37 1uhp s GLU 68 Cb 0.07 0.36 0.05 0.00 2.00 0.00 0.00 34.13 36.62 1uhp s GLU 68 CO 0.35 -0.26 0.09 0.54 -0.56 0.00 0.00 175.26 175.42 1uhp s VAL 69 N -2.11 -0.12 0.00 3.70 0.11 -1.07 -0.40 120.40 120.50 1uhp s VAL 69 Ca -0.08 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1uhp s VAL 69 Cb -0.02 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1uhp s VAL 69 CO -0.00 -0.11 0.00 -3.20 -3.33 0.00 0.00 175.10 168.46 1uhp n ASN 70 N 5.29 0.00 0.00 3.54 2.85 0.85 -1.73 115.26 126.06 1uhp n ASN 70 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1uhp n ASN 70 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 1uhp n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uhp n GLY 71 N 0.00 0.00 3.37 8.20 0.00 -1.26 -4.67 105.19 110.83 1uhp n GLY 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1uhp n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uhp s ARG 72 N 0.00 2.89 -0.09 1.61 0.52 -0.70 -5.08 118.95 118.09 1uhp s ARG 72 Ca 0.00 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.16 1uhp s ARG 72 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1uhp s ARG 72 CO 0.00 0.38 1.44 0.34 0.02 0.00 0.00 175.30 177.48 1uhp s ASP 73 N -0.11 6.82 -0.02 0.23 -1.08 -1.26 -2.61 116.67 118.63 1uhp s ASP 73 Ca -0.03 1.99 0.04 0.00 -0.52 0.00 0.00 52.55 54.03 1uhp s ASP 73 Cb -0.14 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.83 1uhp s ASP 73 CO 0.04 -0.81 0.88 0.18 0.52 0.00 0.00 175.17 175.98 1uhp n LEU 74 N 6.52 0.74 -0.06 -1.34 4.77 -1.20 -4.65 117.00 121.78 1uhp n LEU 74 Ca 0.15 -1.25 -0.11 0.00 -0.03 0.00 0.00 56.01 54.77 1uhp n LEU 74 Cb 0.44 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1uhp n LEU 74 CO 0.59 0.30 0.77 -1.28 -1.33 0.00 0.00 177.39 176.44 1uhp h SER 75 N 0.00 0.33 -0.21 -1.43 0.87 -1.71 -3.17 113.55 108.23 1uhp h SER 75 Ca 0.00 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1uhp h SER 75 Cb 1.07 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1uhp h SER 75 CO 0.00 0.54 -0.01 -2.11 -0.53 0.00 0.00 176.83 174.71 1uhp n ARG 76 N -4.72 2.42 -2.18 2.24 1.85 -1.26 -3.75 116.66 111.26 1uhp n ARG 76 Ca -0.04 -2.84 -0.26 0.00 -1.00 0.00 0.00 57.85 53.70 1uhp n ARG 76 Cb 0.21 -1.77 0.07 0.00 -1.05 0.00 0.00 32.46 29.92 1uhp n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uhp s ALA 77 N -2.90 3.12 0.43 2.89 0.00 -1.20 -4.76 121.76 119.34 1uhp s ALA 77 Ca 0.40 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.57 1uhp s ALA 77 Cb 0.34 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.83 1uhp s ALA 77 CO 0.06 -1.29 0.58 -0.08 0.00 0.00 0.00 175.76 175.03 1uhp s THR 78 N -3.26 2.94 0.37 0.00 -1.32 -1.26 -4.17 115.64 108.95 1uhp s THR 78 Ca 0.60 -1.01 0.09 0.00 -1.21 0.00 0.00 61.69 60.16 1uhp s THR 78 Cb -0.11 -2.95 0.32 0.00 -1.51 0.00 0.00 72.50 68.25 1uhp s THR 78 CO 0.45 0.00 1.90 -0.74 -2.21 0.00 0.00 174.62 174.02 1uhp h HIS 79 N 0.63 0.75 -0.04 9.09 2.76 -1.77 0.70 115.15 127.27 1uhp h HIS 79 Ca -0.40 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1uhp h HIS 79 Cb 1.28 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 30.00 1uhp h HIS 79 CO 0.41 0.31 0.01 0.22 -1.30 0.00 0.00 177.93 177.58 1uhp h ASP 80 N 0.67 0.06 0.06 3.26 3.58 -1.91 0.22 116.42 122.35 1uhp h ASP 80 Ca 0.40 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1uhp h ASP 80 Cb 0.61 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1uhp h ASP 80 CO -0.16 0.23 -0.03 1.56 -2.88 0.00 0.00 179.24 177.97 1uhp h GLN 81 N -0.13 -0.07 0.08 0.28 4.20 -1.52 0.10 115.11 118.05 1uhp h GLN 81 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1uhp h GLN 81 Cb 0.20 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 1uhp h GLN 81 CO -0.00 0.15 -0.36 0.00 -0.67 0.00 0.00 178.83 177.95 1uhp h ALA 82 N 0.65 -0.59 -0.05 3.87 0.00 0.38 0.53 119.26 124.04 1uhp h ALA 82 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1uhp h ALA 82 Cb 0.25 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1uhp h ALA 82 CO 0.01 -0.90 -0.29 0.28 0.00 0.00 0.00 179.25 178.35 1uhp h VAL 83 N -0.56 0.34 -0.55 0.00 2.07 -0.53 0.16 116.25 117.19 1uhp h VAL 83 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 1uhp h VAL 83 Cb 0.61 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 1uhp h VAL 83 CO -0.24 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.24 1uhp h GLU 84 N -0.41 0.08 -0.06 1.57 4.57 -0.21 1.01 114.58 121.13 1uhp h GLU 84 Ca 0.08 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1uhp h GLU 84 Cb 0.52 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1uhp h GLU 84 CO -0.28 0.06 -0.27 0.00 -1.18 0.00 0.00 179.01 177.34 1uhp h ALA 85 N 1.51 -0.32 0.00 2.92 0.00 0.11 1.24 119.26 124.71 1uhp h ALA 85 Ca 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1uhp h ALA 85 Cb 0.44 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1uhp h ALA 85 CO -0.49 -0.75 -0.14 0.74 0.00 0.00 0.00 179.25 178.61 1uhp h PHE 86 N -0.38 0.00 0.05 0.00 0.04 0.39 1.54 116.94 118.59 1uhp h PHE 86 Ca 0.08 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.58 1uhp h PHE 86 Cb 0.49 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.66 1uhp h PHE 86 CO -0.33 0.14 -1.12 -0.22 -0.60 0.00 0.00 178.31 176.18 1uhp h LYS 87 N 0.00 0.61 -0.55 1.51 3.64 0.34 -3.18 116.57 118.92 1uhp h LYS 87 Ca -0.00 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1uhp h LYS 87 Cb 0.36 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1uhp h LYS 87 CO 0.02 1.31 0.00 0.25 -2.27 0.00 0.00 179.45 178.76 1uhp n THR 88 N -3.80 0.73 -2.39 1.00 -2.24 0.40 -4.95 114.28 103.04 1uhp n THR 88 Ca -0.11 -0.85 -0.40 0.00 -2.27 0.00 0.00 64.05 60.42 1uhp n THR 88 Cb 0.92 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 1uhp n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uhp s ALA 89 N -1.27 3.42 0.12 6.98 0.00 0.52 -5.00 121.76 126.54 1uhp s ALA 89 Ca 0.43 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.41 1uhp s ALA 89 Cb 0.24 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1uhp s ALA 89 CO 0.32 -0.27 0.15 0.15 0.00 0.00 0.00 175.76 176.11 1uhp s LYS 90 N -1.54 3.04 -0.03 0.00 -0.14 -1.26 -4.98 119.74 114.84 1uhp s LYS 90 Ca 0.46 -0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 54.23 1uhp s LYS 90 Cb -0.34 -2.77 -0.05 0.00 -1.68 0.00 0.00 37.83 33.00 1uhp s LYS 90 CO 0.44 0.53 0.32 -1.21 -0.76 0.00 0.00 175.35 174.67 1uhp s GLU 91 N -2.83 3.74 0.41 1.68 2.02 -1.26 -2.35 118.70 120.11 1uhp s GLU 91 Ca 0.31 0.20 -0.24 0.00 0.02 0.00 0.00 54.97 55.27 1uhp s GLU 91 Cb -0.11 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 1uhp s GLU 91 CO 0.24 0.70 1.05 -1.25 0.02 0.00 0.00 175.26 176.03 1uhp s PRO 92 N -1.19 4.13 -0.39 0.39 0.04 -1.26 -5.12 135.00 131.59 1uhp s PRO 92 Ca 0.22 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1uhp s PRO 92 Cb -0.15 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.89 1uhp s PRO 92 CO 0.11 -0.18 0.45 0.42 0.04 0.00 0.00 177.00 177.85 1uhp s ILE 93 N -1.68 5.07 -0.50 0.56 1.01 -0.91 -4.91 121.20 119.85 1uhp s ILE 93 Ca 0.59 -0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.85 1uhp s ILE 93 Cb -0.22 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1uhp s ILE 93 CO 0.27 -0.33 1.01 0.54 0.00 0.00 0.00 174.94 176.43 1uhp s VAL 94 N 2.20 4.33 0.09 2.92 0.11 -1.26 -0.62 120.40 128.16 1uhp s VAL 94 Ca 0.14 0.76 0.07 0.00 -2.93 0.00 0.00 61.98 60.02 1uhp s VAL 94 Cb -0.16 -4.54 -0.04 0.00 -1.53 0.00 0.00 36.38 30.11 1uhp s VAL 94 CO 0.14 -1.02 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.10 1uhp s VAL 95 N 4.13 3.38 0.02 2.04 1.01 0.34 0.29 120.40 131.62 1uhp s VAL 95 Ca 0.39 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1uhp s VAL 95 Cb -0.10 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1uhp s VAL 95 CO 0.26 0.15 -0.08 -1.58 0.00 0.00 0.00 175.10 173.85 1uhp s GLN 96 N -2.10 0.56 0.15 2.72 0.74 0.46 0.21 119.66 122.40 1uhp s GLN 96 Ca 0.21 -0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.11 1uhp s GLN 96 Cb -0.11 -0.46 -0.04 0.00 1.10 0.00 0.00 33.01 33.50 1uhp s GLN 96 CO 0.13 0.11 -0.02 0.14 -0.55 0.00 0.00 175.29 175.09 1uhp s VAL 97 N -0.77 0.70 -0.46 1.34 -7.23 -0.60 0.14 120.40 113.52 1uhp s VAL 97 Ca -0.03 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1uhp s VAL 97 Cb -0.06 -1.98 0.11 0.00 0.56 0.00 0.00 36.38 35.01 1uhp s VAL 97 CO 0.00 -0.61 0.32 -0.76 -0.31 0.00 0.00 175.10 173.75 1uhp s LEU 98 N -3.13 5.57 -0.28 1.32 1.02 -0.95 -1.42 118.68 120.81 1uhp s LEU 98 Ca 0.20 -1.84 -0.09 0.00 0.02 0.00 0.00 54.13 52.41 1uhp s LEU 98 Cb 0.06 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 1uhp s LEU 98 CO 0.01 -0.66 0.14 -0.60 0.02 0.00 0.00 176.35 175.27 1uhp s ARG 99 N 1.36 3.63 1.07 1.70 3.52 -0.01 -4.51 118.95 125.71 1uhp s ARG 99 Ca 0.05 -0.52 -0.23 0.00 -0.13 0.00 0.00 55.73 54.90 1uhp s ARG 99 Cb -0.25 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1uhp s ARG 99 CO -0.00 -0.27 -0.73 2.89 -0.81 0.00 0.00 175.30 176.37 1uhp n ARG 100 N 4.99 -0.88 -3.94 5.12 0.00 -1.26 -2.73 116.66 117.95 1uhp n ARG 100 Ca -0.15 -0.25 -0.30 0.00 -0.00 0.00 0.00 57.85 57.16 1uhp n ARG 100 Cb 0.51 -1.37 -0.04 0.00 -0.00 0.00 0.00 32.46 31.55 1uhp n ARG 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1uhp s THR 101 N -2.12 5.26 -0.16 8.89 -1.32 -1.26 -4.70 115.64 120.23 1uhp s THR 101 Ca 0.47 -0.52 -0.22 0.00 -1.21 0.00 0.00 61.69 60.21 1uhp s THR 101 Cb -0.01 -3.60 0.06 0.00 -1.51 0.00 0.00 72.50 67.44 1uhp s THR 101 CO 0.66 0.08 0.58 -0.44 -2.21 0.00 0.00 174.62 173.29 1uhp s SER 102 N -2.67 -0.58 -0.19 8.08 0.01 -1.26 -4.99 113.70 112.10 1uhp s SER 102 Ca 0.34 0.95 -0.31 0.00 1.31 0.00 0.00 55.95 58.25 1uhp s SER 102 Cb -0.12 0.95 0.15 0.00 0.21 0.00 0.00 66.02 67.20 1uhp s SER 102 CO 0.27 -0.33 1.14 -0.83 0.41 0.00 0.00 173.24 173.91 1uhp s GLY 103 N -0.23 -0.18 -0.22 3.44 0.00 -1.26 -5.13 107.32 103.74 1uhp s GLY 103 Ca -0.04 2.10 -0.29 0.00 0.00 0.00 0.00 44.72 46.49 1uhp s GLY 103 CO 0.03 0.89 1.30 2.56 0.00 0.00 0.00 173.10 177.89 1uhp s PRO 104 N -1.51 4.09 0.54 2.90 0.04 -1.26 -5.01 135.00 134.79 1uhp s PRO 104 Ca 0.04 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 1uhp s PRO 104 Cb -0.01 -3.83 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 1uhp s PRO 104 CO -0.03 -0.90 1.00 -1.54 0.04 0.00 0.00 177.00 175.57 1uhp s SER 105 N 2.43 6.48 0.28 6.66 1.04 -1.26 -4.97 113.70 124.35 1uhp s SER 105 Ca 0.56 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.54 1uhp s SER 105 Cb -0.20 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1uhp s SER 105 CO 0.19 -0.69 0.00 -1.54 0.98 0.00 0.00 173.24 172.18 1uhp n SER 106 N -1.89 -0.78 0.00 7.02 3.41 -1.26 -5.35 113.62 114.76 1uhp n SER 106 Ca 0.07 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1uhp n SER 106 Cb 0.54 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1uhp n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49