#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub s SER 2 N 0.00 6.78 0.54 1.61 0.15 -1.26 -4.96 113.70 116.57 2yub s SER 2 Ca 0.00 -2.27 0.04 0.00 0.70 0.00 0.00 55.95 54.42 2yub s SER 2 Cb 0.00 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2yub s SER 2 CO 0.00 -1.21 0.69 -1.20 1.20 0.00 0.00 173.24 172.72 2yub n SER 3 N 8.30 1.39 0.00 5.45 7.64 -1.26 -5.13 113.62 130.01 2yub n SER 3 Ca 0.44 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 58.26 2yub n SER 3 Cb 0.47 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2yub n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yub n GLY 4 N -0.73 0.70 3.87 0.23 0.00 -1.26 -5.05 105.19 102.95 2yub n GLY 4 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2yub n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yub s SER 5 N -1.00 6.64 0.03 1.61 0.01 -1.26 -4.98 113.70 114.75 2yub s SER 5 Ca 0.00 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2yub s SER 5 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2yub s SER 5 CO 0.00 0.02 0.00 -1.54 0.41 0.00 0.00 173.24 172.13 2yub n SER 6 N 0.23 0.02 0.00 2.44 3.41 -1.26 -5.08 113.62 113.37 2yub n SER 6 Ca -0.02 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2yub n SER 6 Cb 0.52 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2yub n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 7 N 1.88 -0.60 2.35 5.00 0.00 -1.26 -5.05 105.19 107.51 2yub n GLY 7 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2yub n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yub n VAL 8 N 0.00 3.24 -4.30 1.61 0.31 -1.26 -4.91 118.33 113.03 2yub n VAL 8 Ca 0.00 -2.77 -0.23 0.00 -0.01 0.00 0.00 64.34 61.33 2yub n VAL 8 Cb 0.00 -1.42 -0.12 0.00 -0.91 0.00 0.00 33.84 31.39 2yub n VAL 8 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2yub s GLN 9 N -2.33 1.16 -0.01 5.55 1.11 -1.26 -5.04 119.66 118.85 2yub s GLN 9 Ca 0.51 -1.24 0.06 0.00 0.01 0.00 0.00 55.36 54.70 2yub s GLN 9 Cb 0.37 -1.33 0.10 0.00 -1.01 0.00 0.00 33.01 31.14 2yub s GLN 9 CO -0.16 0.29 1.04 -3.47 0.01 0.00 0.00 175.29 173.01 2yub n ASP 10 N 0.81 0.30 -3.75 5.90 2.03 -1.26 -5.04 116.55 115.54 2yub n ASP 10 Ca -0.17 -2.05 -0.25 0.00 0.52 0.00 0.00 54.79 52.83 2yub n ASP 10 Cb 0.55 -0.23 -0.17 0.00 -0.72 0.00 0.00 41.12 40.55 2yub n ASP 10 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2yub s GLN 11 N -0.12 0.63 0.75 -0.67 -0.21 -1.26 -5.14 119.66 113.63 2yub s GLN 11 Ca 0.08 -0.15 -0.15 0.00 0.02 0.00 0.00 55.36 55.16 2yub s GLN 11 Cb 0.09 -1.55 0.04 0.00 1.00 0.00 0.00 33.01 32.59 2yub s GLN 11 CO -0.04 -0.47 1.14 1.28 -2.12 0.00 0.00 175.29 175.08 2yub n LEU 12 N 5.10 4.47 -4.58 2.90 4.77 -1.26 -5.00 117.00 123.40 2yub n LEU 12 Ca -0.08 0.67 -0.30 0.00 -0.03 0.00 0.00 56.01 56.26 2yub n LEU 12 Cb 0.49 -1.49 0.25 0.00 -2.33 0.00 0.00 43.42 40.34 2yub n LEU 12 CO 0.12 -1.66 0.62 -2.16 -1.33 0.00 0.00 177.39 172.98 2yub s PRO 13 N -3.69 -1.52 0.39 3.23 0.04 -1.26 -5.03 135.00 127.16 2yub s PRO 13 Ca 0.75 -0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.70 2yub s PRO 13 Cb -0.33 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2yub s PRO 13 CO 0.48 -3.89 0.53 1.52 0.04 0.00 0.00 177.00 175.68 2yub s TYR 14 N -3.01 2.91 -0.15 0.56 -0.85 -1.26 -4.99 117.35 110.55 2yub s TYR 14 Ca 0.72 -0.34 -0.21 0.00 -0.52 0.00 0.00 57.07 56.72 2yub s TYR 14 Cb -0.08 -2.23 -0.03 0.00 0.38 0.00 0.00 41.96 40.00 2yub s TYR 14 CO 0.56 -0.26 0.62 -1.54 -1.52 0.00 0.00 175.55 173.40 2yub s SER 15 N -4.28 6.75 -0.07 -0.18 1.04 -1.21 -4.89 113.70 110.87 2yub s SER 15 Ca 0.51 0.90 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 2yub s SER 15 Cb -0.10 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.62 2yub s SER 15 CO 0.32 -0.19 0.33 -0.69 0.98 0.00 0.00 173.24 173.99 2yub s VAL 16 N 1.44 5.20 0.05 5.02 1.01 -1.26 -2.03 120.40 129.83 2yub s VAL 16 Ca 0.30 0.64 0.09 0.00 0.00 0.00 0.00 61.98 63.01 2yub s VAL 16 Cb -0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2yub s VAL 16 CO 0.12 0.54 -0.23 -0.89 0.00 0.00 0.00 175.10 174.64 2yub s THR 17 N -0.67 2.40 0.07 3.92 2.01 -0.94 -4.95 115.64 117.48 2yub s THR 17 Ca 0.20 -1.33 0.08 0.00 0.31 0.00 0.00 61.69 60.95 2yub s THR 17 Cb -0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2yub s THR 17 CO 0.09 0.34 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.93 2yub s LEU 18 N -1.36 2.22 -0.24 4.42 2.96 -1.26 -0.19 118.68 125.22 2yub s LEU 18 Ca 0.13 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2yub s LEU 18 Cb -0.10 -0.95 0.08 0.00 0.50 0.00 0.00 46.19 45.72 2yub s LEU 18 CO 0.03 0.13 0.09 0.27 -1.32 0.00 0.00 176.35 175.55 2yub s ILE 19 N -0.93 0.33 -0.53 6.68 -0.00 -0.96 -4.97 121.20 120.83 2yub s ILE 19 Ca 0.07 -0.74 -0.11 0.00 -0.00 0.00 0.00 60.65 59.88 2yub s ILE 19 Cb -0.09 -1.08 0.13 0.00 -0.00 0.00 0.00 42.46 41.42 2yub s ILE 19 CO 0.03 -0.48 0.42 -0.44 -0.00 0.00 0.00 174.94 174.47 2yub s SER 20 N 1.92 5.88 0.04 4.36 0.01 -1.26 -2.46 113.70 122.19 2yub s SER 20 Ca 0.05 -2.01 0.09 0.00 1.31 0.00 0.00 55.95 55.38 2yub s SER 20 Cb -0.17 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2yub s SER 20 CO -0.20 -0.70 -0.26 -0.04 0.41 0.00 0.00 173.24 172.45 2yub s MET 21 N 1.22 1.79 0.10 12.44 -1.94 -1.23 -4.93 119.30 126.76 2yub s MET 21 Ca 0.07 -1.08 -0.31 0.00 -1.71 0.00 0.00 55.69 52.66 2yub s MET 21 Cb -0.25 -1.94 -0.07 0.00 2.01 0.00 0.00 34.83 34.57 2yub s MET 21 CO -0.01 0.50 1.37 -1.25 -0.01 0.00 0.00 175.02 175.62 2yub s PRO 22 N -1.17 4.33 0.00 2.03 0.04 -1.26 -0.71 135.00 138.26 2yub s PRO 22 Ca 0.11 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2yub s PRO 22 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2yub s PRO 22 CO 0.02 -0.42 0.00 0.00 0.04 0.00 0.00 177.00 176.63 2yub n ALA 23 N 4.04 0.00 -2.71 8.56 0.00 0.23 -4.29 120.51 126.34 2yub n ALA 23 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 2yub n ALA 23 Cb 0.43 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.92 2yub n ALA 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 24 N 0.00 1.35 0.00 0.00 -2.24 -1.26 -4.71 114.28 107.42 2yub n THR 24 Ca 0.00 -3.15 0.00 0.00 -2.27 0.00 0.00 64.05 58.63 2yub n THR 24 Cb 0.00 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2yub n THR 24 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2yub n THR 25 N -0.46 0.00 -2.53 4.28 -1.04 -1.26 -4.65 114.28 108.61 2yub n THR 25 Ca 0.12 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.89 2yub n THR 25 Cb 0.81 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.44 2yub n THR 25 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2yub s GLU 26 N 0.00 1.55 0.00 -2.82 2.02 -1.26 -5.01 118.70 113.18 2yub s GLU 26 Ca 0.00 -1.08 0.24 0.00 0.02 0.00 0.00 54.97 54.16 2yub s GLU 26 Cb 0.00 -2.28 0.37 0.00 0.10 0.00 0.00 34.13 32.32 2yub s GLU 26 CO 0.00 -1.56 1.36 0.00 0.02 0.00 0.00 175.26 175.08 2yub n ARG 28 N 1.22 0.00 -3.61 0.00 0.63 -1.26 -4.91 116.66 108.74 2yub n ARG 28 Ca 0.16 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.99 2yub n ARG 28 Cb 0.56 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.41 2yub n ARG 28 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yub s ARG 29 N 0.02 0.57 -0.20 -0.14 3.00 -1.26 -4.88 118.95 116.06 2yub s ARG 29 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 55.73 55.96 2yub s ARG 29 Cb 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 34.95 35.15 2yub s ARG 29 CO 0.00 -0.13 -0.28 0.41 0.00 0.00 0.00 175.30 175.30 2yub n GLY 30 N 1.49 -0.62 3.19 -3.53 0.00 -1.26 -4.99 105.19 99.48 2yub n GLY 30 Ca -0.12 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 2yub n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yub s PHE 31 N -2.66 1.19 0.21 1.61 -0.71 -1.26 -3.36 117.98 113.00 2yub s PHE 31 Ca -0.29 -0.57 0.07 0.00 -1.04 0.00 0.00 56.93 55.11 2yub s PHE 31 Cb 0.06 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 2yub s PHE 31 CO 0.42 0.06 0.06 -1.12 -1.34 0.00 0.00 175.22 173.29 2yub s SER 32 N -2.23 5.00 0.07 1.98 0.01 -1.19 -4.92 113.70 112.42 2yub s SER 32 Ca 0.04 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.97 2yub s SER 32 Cb -0.06 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2yub s SER 32 CO 0.02 0.04 -0.13 0.68 0.41 0.00 0.00 173.24 174.26 2yub s VAL 33 N -1.94 1.02 -0.38 3.43 -7.23 -1.26 -3.24 120.40 110.80 2yub s VAL 33 Ca 0.30 -1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 58.99 2yub s VAL 33 Cb -0.09 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.85 2yub s VAL 33 CO 0.21 -0.26 0.59 -0.89 -0.31 0.00 0.00 175.10 174.43 2yub s THR 34 N -1.33 4.93 -0.24 5.32 2.01 0.32 -4.87 115.64 121.78 2yub s THR 34 Ca -0.03 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 2yub s THR 34 Cb -0.10 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2yub s THR 34 CO 0.02 -0.37 0.36 -0.69 -0.69 0.00 0.00 174.62 173.25 2yub s VAL 35 N 2.60 5.20 -0.10 3.82 1.01 -1.26 -2.90 120.40 128.77 2yub s VAL 35 Ca 0.21 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2yub s VAL 35 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2yub s VAL 35 CO 0.15 0.21 -0.17 -1.61 0.00 0.00 0.00 175.10 173.69 2yub s GLU 36 N 1.68 3.06 -0.10 2.72 2.02 -0.95 -5.04 118.70 122.10 2yub s GLU 36 Ca 0.16 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.39 2yub s GLU 36 Cb -0.15 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.64 2yub s GLU 36 CO 0.09 0.30 -0.07 0.45 0.02 0.00 0.00 175.26 176.05 2yub s SER 37 N 0.09 2.02 -0.01 -0.19 0.15 -1.26 -0.91 113.70 113.59 2yub s SER 37 Ca -0.08 -0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.27 2yub s SER 37 Cb -0.15 -0.77 -0.28 0.00 -1.71 0.00 0.00 66.02 63.11 2yub s SER 37 CO 0.05 -0.11 0.80 0.00 1.20 0.00 0.00 173.24 175.17 2yub h ALA 38 N 8.06 0.27 -2.98 5.45 0.00 -1.90 -3.49 119.26 124.68 2yub h ALA 38 Ca -0.29 -1.14 -0.02 0.00 0.00 0.00 0.00 54.91 53.47 2yub h ALA 38 Cb 1.14 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2yub h ALA 38 CO 0.39 1.14 0.18 0.45 0.00 0.00 0.00 179.25 181.41 2yub s SER 39 N -7.01 -0.01 0.45 0.00 0.15 -1.26 -5.14 113.70 100.88 2yub s SER 39 Ca -0.11 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2yub s SER 39 Cb 0.07 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2yub s SER 39 CO 0.85 -1.49 0.00 -1.20 1.20 0.00 0.00 173.24 172.60 2yub n SER 40 N -0.99 -2.54 -2.19 5.45 7.64 -1.26 -3.77 113.62 115.95 2yub n SER 40 Ca -0.05 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 2yub n SER 40 Cb 0.60 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.92 2yub n SER 40 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yub n ASN 41 N -3.55 5.86 -4.46 6.43 3.02 -1.26 -4.96 115.26 116.35 2yub n ASN 41 Ca 0.00 -3.73 -0.23 0.00 -0.03 0.00 0.00 54.58 50.59 2yub n ASN 41 Cb 0.00 -0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 38.20 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2yub s TYR 42 N -3.60 2.21 0.84 3.10 1.13 -1.25 -2.59 117.35 117.19 2yub s TYR 42 Ca 0.60 -0.40 -0.12 0.00 -1.41 0.00 0.00 57.07 55.73 2yub s TYR 42 Cb 0.49 -1.02 0.12 0.00 -1.10 0.00 0.00 41.96 40.45 2yub s TYR 42 CO 0.03 0.63 1.20 0.00 -2.51 0.00 0.00 175.55 174.90 2yub s ALA 43 N -2.61 2.61 0.00 9.51 0.00 -1.06 -4.58 121.76 125.63 2yub s ALA 43 Ca 0.29 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2yub s ALA 43 Cb -0.03 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2yub s ALA 43 CO 0.14 -1.87 0.00 2.41 0.00 0.00 0.00 175.76 176.44 2yub n THR 44 N -3.40 0.00 -3.74 0.00 -1.04 -0.09 -4.53 114.28 101.49 2yub n THR 44 Ca 0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.98 2yub n THR 44 Cb 0.60 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.02 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2yub s THR 45 N -1.00 0.02 -0.02 12.58 2.01 -1.20 -4.74 115.64 123.29 2yub s THR 45 Ca 0.00 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.88 2yub s THR 45 Cb 0.00 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 2yub s THR 45 CO 0.00 -0.08 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.04 2yub s VAL 46 N -0.34 0.92 -0.08 3.82 1.01 -1.26 -2.23 120.40 122.24 2yub s VAL 46 Ca -0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2yub s VAL 46 Cb -0.03 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.59 2yub s VAL 46 CO 0.02 0.27 0.20 -1.58 0.00 0.00 0.00 175.10 174.01 2yub s GLN 47 N -0.02 0.17 -0.38 2.72 0.74 -1.14 -3.60 119.66 118.15 2yub s GLN 47 Ca -0.00 0.41 -0.28 0.00 0.05 0.00 0.00 55.36 55.54 2yub s GLN 47 Cb -0.07 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.94 2yub s GLN 47 CO 0.00 -0.13 1.76 0.08 -0.55 0.00 0.00 175.29 176.45 2yub s VAL 48 N 0.94 3.51 -0.02 1.34 1.01 -0.92 -0.52 120.40 125.73 2yub s VAL 48 Ca -0.07 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 2yub s VAL 48 Cb -0.08 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2yub s VAL 48 CO -0.05 -0.53 0.28 0.50 0.00 0.00 0.00 175.10 175.30 2yub h LYS 49 N 12.91 -0.11 -5.86 2.72 3.64 -1.88 0.43 116.57 128.41 2yub h LYS 49 Ca -0.32 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.50 2yub h LYS 49 Cb 1.16 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 2yub h LYS 49 CO 1.07 -0.07 -0.70 -1.21 -2.27 0.00 0.00 179.45 176.26 2yub s GLU 50 N -1.87 1.69 -0.15 1.90 0.41 -1.25 -4.54 118.70 114.88 2yub s GLU 50 Ca -0.02 -1.84 -0.11 0.00 -0.41 0.00 0.00 54.97 52.60 2yub s GLU 50 Cb 0.00 -1.54 0.05 0.00 -1.78 0.00 0.00 34.13 30.86 2yub s GLU 50 CO 0.05 0.16 0.39 0.08 -0.49 0.00 0.00 175.26 175.45 2yub s VAL 51 N -2.72 -0.02 -0.22 2.63 1.01 -1.26 -3.14 120.40 116.69 2yub s VAL 51 Ca 0.30 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2yub s VAL 51 Cb 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2yub s VAL 51 CO 0.14 0.02 0.09 0.21 0.00 0.00 0.00 175.10 175.57 2yub s ASN 52 N 0.90 5.62 0.07 3.32 3.84 -1.21 -4.96 114.94 122.52 2yub s ASN 52 Ca -0.06 0.00 0.27 0.00 0.21 0.00 0.00 52.86 53.29 2yub s ASN 52 Cb -0.06 -1.99 0.86 0.00 -0.55 0.00 0.00 41.25 39.50 2yub s ASN 52 CO -0.07 0.08 1.70 0.54 -2.79 0.00 0.00 177.10 176.56 2yub n ARG 53 N 4.16 0.11 0.05 0.43 1.74 -1.26 -2.80 116.66 119.10 2yub n ARG 53 Ca -0.16 0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 56.97 2yub n ARG 53 Cb 0.52 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 2yub n ARG 53 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2yub h MET 54 N 0.00 0.00 0.00 5.56 2.86 -1.93 0.27 114.93 121.69 2yub h MET 54 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2yub h MET 54 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2yub h MET 54 CO 0.00 0.51 -1.03 0.72 1.06 0.00 0.00 176.91 178.17 2yub n HIS 55 N -3.09 0.39 -0.01 -0.22 8.25 -1.22 -4.17 115.22 115.16 2yub n HIS 55 Ca -0.06 0.11 0.06 0.00 -0.26 0.00 0.00 57.72 57.57 2yub n HIS 55 Cb 0.87 -0.55 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 2yub n HIS 55 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2yub n ILE 56 N -2.11 0.01 -1.15 1.59 5.41 -1.12 -4.30 119.36 117.69 2yub n ILE 56 Ca 0.01 -0.27 0.04 0.00 1.00 0.00 0.00 62.75 63.53 2yub n ILE 56 Cb 0.46 0.22 -0.02 0.00 -0.71 0.00 0.00 39.64 39.59 2yub n ILE 56 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2yub n SER 57 N -1.92 -6.21 -3.90 4.38 7.64 0.08 -4.39 113.62 109.30 2yub n SER 57 Ca -0.02 1.33 -0.39 0.00 1.01 0.00 0.00 58.87 60.79 2yub n SER 57 Cb 0.31 -3.60 -0.06 0.00 -1.01 0.00 0.00 64.21 59.85 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2yub n PRO 58 N -2.72 1.45 0.00 1.43 -0.04 -1.26 -3.96 135.00 129.90 2yub n PRO 58 Ca -0.02 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 2yub n PRO 58 Cb 0.40 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 2yub n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yub n ASN 59 N 9.63 0.00 -0.01 3.54 5.15 -1.26 -4.91 115.26 127.40 2yub n ASN 59 Ca 0.48 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.60 2yub n ASN 59 Cb 0.42 0.24 0.61 0.00 -0.53 0.00 0.00 39.78 40.53 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2yub n ASN 60 N -2.26 0.11 0.17 1.20 3.02 -1.25 -3.38 115.26 112.86 2yub n ASN 60 Ca 0.00 0.14 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 2yub n ASN 60 Cb 0.00 -0.32 0.58 0.00 -0.61 0.00 0.00 39.78 39.43 2yub n ASN 60 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2yub h ARG 61 N 0.06 0.00 0.00 3.52 -0.00 -1.83 -2.10 114.38 114.03 2yub h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2yub h ARG 61 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 2yub h ARG 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 179.97 178.26 2yub n ASN 62 N -2.41 0.00 0.00 0.08 2.85 -1.22 -3.22 115.26 111.34 2yub n ASN 62 Ca 0.01 -1.82 0.00 0.00 -0.11 0.00 0.00 54.58 52.65 2yub n ASN 62 Cb 0.19 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.21 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yub n ALA 63 N -0.57 1.80 -2.39 5.20 0.00 -0.79 -5.08 120.51 118.68 2yub n ALA 63 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 2yub n ALA 63 Cb 0.01 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 2yub n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2yub s ILE 64 N -1.80 2.52 -0.29 0.00 2.07 -1.20 -4.97 121.20 117.52 2yub s ILE 64 Ca 0.00 -1.60 -0.34 0.00 -1.41 0.00 0.00 60.65 57.29 2yub s ILE 64 Cb 0.00 -3.00 0.18 0.00 0.13 0.00 0.00 42.46 39.77 2yub s ILE 64 CO 0.00 -0.03 1.39 -1.00 -1.91 0.00 0.00 174.94 173.39 2yub s HIS 65 N -2.54 -0.01 -0.53 3.50 3.76 -1.26 -4.85 115.29 113.35 2yub s HIS 65 Ca 0.42 0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 55.08 2yub s HIS 65 Cb 0.01 0.50 -0.02 0.00 1.11 0.00 0.00 32.58 34.18 2yub s HIS 65 CO 0.24 -0.01 1.81 -1.25 -0.85 0.00 0.00 174.74 174.68 2yub s PRO 66 N -1.57 2.87 0.00 8.40 0.04 -1.26 -2.69 135.00 140.78 2yub s PRO 66 Ca 0.11 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2yub s PRO 66 Cb -0.01 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2yub s PRO 66 CO -0.05 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 174.96 2yub n GLY 67 N 5.59 0.94 3.69 0.56 0.00 0.15 -4.95 105.19 111.17 2yub n GLY 67 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2yub n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yub s ASP 68 N -0.35 3.09 -0.32 1.61 1.01 -1.10 -4.73 116.67 115.88 2yub s ASP 68 Ca 0.00 1.45 0.03 0.00 0.71 0.00 0.00 52.55 54.74 2yub s ASP 68 Cb 0.00 -2.12 0.09 0.00 1.01 0.00 0.00 42.92 41.90 2yub s ASP 68 CO 0.00 -2.88 0.04 0.00 0.21 0.00 0.00 175.17 172.55 2yub s ARG 69 N -4.90 1.36 0.49 8.23 1.70 -1.26 -2.18 118.95 122.39 2yub s ARG 69 Ca 0.64 -1.59 -0.23 0.00 -0.47 0.00 0.00 55.73 54.09 2yub s ARG 69 Cb -0.19 -2.86 -0.06 0.00 -0.57 0.00 0.00 34.95 31.27 2yub s ARG 69 CO 0.58 -0.90 1.26 0.42 -1.08 0.00 0.00 175.30 175.57 2yub s ILE 70 N 1.12 2.64 -0.10 4.99 1.01 -1.24 -4.02 121.20 125.60 2yub s ILE 70 Ca 0.08 0.48 0.09 0.00 0.00 0.00 0.00 60.65 61.31 2yub s ILE 70 Cb -0.19 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.91 2yub s ILE 70 CO -0.12 -0.00 0.03 0.18 0.00 0.00 0.00 174.94 175.04 2yub n LEU 71 N -0.67 0.05 -3.63 2.97 7.99 -1.11 -4.65 117.00 117.95 2yub n LEU 71 Ca 0.08 -0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.98 2yub n LEU 71 Cb 0.46 0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 43.98 2yub n LEU 71 CO 0.50 0.26 0.25 -1.61 -1.51 0.00 0.00 177.39 175.28 2yub s GLU 72 N -2.25 1.23 -0.07 3.23 2.02 -1.26 -3.05 118.70 118.55 2yub s GLU 72 Ca -0.05 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 2yub s GLU 72 Cb 0.03 0.51 0.04 0.00 0.10 0.00 0.00 34.13 34.81 2yub s GLU 72 CO 0.42 -0.51 0.07 0.42 0.02 0.00 0.00 175.26 175.68 2yub s ILE 73 N -3.82 -0.11 0.00 -1.63 1.01 -0.80 -1.63 121.20 114.21 2yub s ILE 73 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2yub s ILE 73 Cb 0.00 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.22 2yub s ILE 73 CO -0.09 0.07 0.00 0.59 0.00 0.00 0.00 174.94 175.51 2yub n ASN 74 N 5.30 0.00 0.00 3.58 4.13 -0.23 -3.23 115.26 124.81 2yub n ASN 74 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2yub n ASN 74 Cb 0.50 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yub n GLY 75 N -2.00 1.28 3.14 7.41 0.00 -1.26 -5.00 105.19 108.76 2yub n GLY 75 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2yub n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yub s THR 76 N -2.00 0.09 0.11 2.61 -4.23 -1.20 -5.14 115.64 105.88 2yub s THR 76 Ca 0.00 -0.78 -0.31 0.00 -1.18 0.00 0.00 61.69 59.42 2yub s THR 76 Cb 0.00 -0.65 -0.08 0.00 1.34 0.00 0.00 72.50 73.12 2yub s THR 76 CO 0.00 -0.43 1.36 -2.16 -0.54 0.00 0.00 174.62 172.85 2yub s PRO 77 N -1.87 4.34 0.00 3.99 0.04 -1.26 -1.91 135.00 138.32 2yub s PRO 77 Ca -0.11 2.03 0.28 0.00 0.04 0.00 0.00 61.00 63.24 2yub s PRO 77 Cb -0.05 -3.26 1.00 0.00 0.04 0.00 0.00 34.50 32.24 2yub s PRO 77 CO -0.00 -0.41 1.76 1.33 0.04 0.00 0.00 177.00 179.71 2yub n VAL 78 N 3.93 0.00 0.10 -0.36 0.24 -1.17 -1.99 118.33 119.08 2yub n VAL 78 Ca 0.11 -0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2yub n VAL 78 Cb 0.43 -0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 2yub n VAL 78 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2yub h ARG 79 N 0.04 0.00 0.00 7.34 0.11 -1.84 -3.36 114.38 116.67 2yub h ARG 79 Ca 0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 2yub h ARG 79 Cb 0.48 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.50 2yub h ARG 79 CO 0.00 0.55 -2.21 0.25 0.10 0.00 0.00 179.97 178.66 2yub n THR 80 N -3.18 1.21 -1.62 0.08 -2.24 -1.22 -4.36 114.28 102.96 2yub n THR 80 Ca -0.01 -0.66 -0.50 0.00 -2.27 0.00 0.00 64.05 60.61 2yub n THR 80 Cb 0.80 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 2yub n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yub n LEU 81 N -2.80 2.12 -4.75 3.22 4.77 -0.84 -4.62 117.00 114.11 2yub n LEU 81 Ca -0.32 1.11 -0.38 0.00 -0.03 0.00 0.00 56.01 56.39 2yub n LEU 81 Cb 1.02 -1.26 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2yub n LEU 81 CO 0.32 -0.79 0.95 -0.13 -1.33 0.00 0.00 177.39 176.41 2yub s ARG 82 N 0.75 3.01 0.12 3.23 1.81 -1.26 -2.57 118.95 124.04 2yub s ARG 82 Ca 0.83 2.15 -0.24 0.00 -1.72 0.00 0.00 55.73 56.75 2yub s ARG 82 Cb -0.87 -2.14 -0.05 0.00 -0.45 0.00 0.00 34.95 31.43 2yub s ARG 82 CO 0.45 -1.27 1.27 0.28 -0.68 0.00 0.00 175.30 175.35 2yub n VAL 83 N -1.26 -0.52 -0.13 3.52 0.31 -1.07 0.17 118.33 119.35 2yub n VAL 83 Ca 0.12 1.99 0.09 0.00 -0.01 0.00 0.00 64.34 66.53 2yub n VAL 83 Cb 0.46 -2.47 0.43 0.00 -0.91 0.00 0.00 33.84 31.36 2yub n VAL 83 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2yub h GLU 84 N 0.00 0.55 -0.01 5.55 4.11 -1.90 0.29 114.58 123.17 2yub h GLU 84 Ca 0.12 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.42 2yub h GLU 84 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2yub h GLU 84 CO -0.72 0.36 -0.45 0.93 0.07 0.00 0.00 179.01 179.20 2yub h GLU 85 N 0.57 0.02 0.00 1.06 4.39 0.15 0.22 114.58 120.98 2yub h GLU 85 Ca 0.29 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 2yub h GLU 85 Cb 0.41 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2yub h GLU 85 CO -0.09 0.46 -0.41 0.28 -1.16 0.00 0.00 179.01 178.09 2yub h VAL 86 N 0.01 0.37 0.00 3.13 2.07 0.17 -3.27 116.25 118.73 2yub h VAL 86 Ca -0.00 -1.54 -0.18 0.00 0.82 0.00 0.00 66.70 65.80 2yub h VAL 86 Cb 0.80 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 2yub h VAL 86 CO 0.06 0.21 -1.11 -0.62 0.02 0.00 0.00 177.57 176.13 2yub n GLU 87 N -3.09 0.53 -0.09 1.57 -0.58 -0.45 -3.99 120.64 114.55 2yub n GLU 87 Ca 0.02 0.55 0.26 0.00 -0.42 0.00 0.00 57.16 57.57 2yub n GLU 87 Cb 0.63 -1.72 0.69 0.00 -0.57 0.00 0.00 31.44 30.47 2yub n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2yub h ASP 88 N -1.00 0.00 0.21 1.62 5.19 -0.73 0.70 116.42 122.41 2yub h ASP 88 Ca -0.27 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.97 2yub h ASP 88 Cb 1.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 2yub h ASP 88 CO -0.16 0.00 -0.69 0.00 -3.12 0.00 0.00 179.24 175.27 2yub h ALA 89 N 1.28 0.62 0.22 3.45 0.00 -1.71 -1.95 119.26 121.17 2yub h ALA 89 Ca 0.36 -0.59 -0.34 0.00 0.00 0.00 0.00 54.91 54.34 2yub h ALA 89 Cb 1.78 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.54 2yub h ALA 89 CO -0.00 0.74 -1.56 0.82 0.00 0.00 0.00 179.25 179.25 2yub h ILE 90 N 0.31 1.18 0.00 0.00 1.08 0.18 -3.28 117.51 116.97 2yub h ILE 90 Ca -0.02 -2.67 -0.00 0.00 -0.39 0.00 0.00 64.86 61.78 2yub h ILE 90 Cb 1.26 2.94 -0.00 0.00 -3.07 0.00 0.00 36.82 37.95 2yub h ILE 90 CO 0.12 0.83 -0.01 0.50 -0.69 0.00 0.00 178.15 178.90 2yub h LYS 91 N 0.13 0.00 -5.40 2.37 3.64 -1.00 -3.43 116.57 112.88 2yub h LYS 91 Ca -0.28 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.64 2yub h LYS 91 Cb 2.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.93 2yub h LYS 91 CO 0.24 0.01 1.66 1.04 -2.27 0.00 0.00 179.45 180.13 2yub n GLN 92 N -3.11 0.69 -1.28 1.90 1.13 -0.73 -4.75 117.38 111.22 2yub n GLN 92 Ca 0.01 -0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 54.97 2yub n GLN 92 Cb 0.31 -2.81 0.12 0.00 0.11 0.00 0.00 30.24 27.97 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2yub n THR 93 N 7.84 2.33 0.00 5.09 -2.24 -1.26 -4.60 114.28 121.43 2yub n THR 93 Ca 0.47 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 58.58 2yub n THR 93 Cb 0.38 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 2yub n THR 93 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2yub n SER 94 N -0.91 4.62 -2.76 3.42 7.64 -1.26 -4.25 113.62 120.11 2yub n SER 94 Ca 0.30 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.03 2yub n SER 94 Cb 0.82 0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 64.77 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yub n GLN 95 N -1.52 0.41 -2.13 1.43 6.02 -1.26 -4.66 117.38 115.67 2yub n GLN 95 Ca 0.00 -2.37 -0.39 0.00 -0.01 0.00 0.00 57.00 54.23 2yub n GLN 95 Cb 0.12 1.73 -0.01 0.00 1.02 0.00 0.00 30.24 33.10 2yub n GLN 95 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2yub s THR 96 N -2.85 2.77 -0.19 5.09 2.01 -1.26 0.76 115.64 121.98 2yub s THR 96 Ca 0.24 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 2yub s THR 96 Cb 0.01 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.16 2yub s THR 96 CO 0.17 0.10 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.93 2yub s LEU 97 N -2.34 1.94 -0.14 4.42 2.96 0.11 -4.79 118.68 120.84 2yub s LEU 97 Ca 0.56 -0.85 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 2yub s LEU 97 Cb -0.36 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2yub s LEU 97 CO 0.47 -0.20 0.41 -1.58 -1.32 0.00 0.00 176.35 174.13 2yub s GLN 98 N 1.55 4.31 -0.02 1.98 0.74 -1.26 -3.47 119.66 123.50 2yub s GLN 98 Ca -0.01 0.32 0.07 0.00 0.05 0.00 0.00 55.36 55.79 2yub s GLN 98 Cb -0.16 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.49 2yub s GLN 98 CO -0.07 0.18 -0.24 -0.51 -0.55 0.00 0.00 175.29 174.10 2yub s LEU 99 N 0.58 2.05 -0.18 3.68 1.43 -1.03 -1.07 118.68 124.14 2yub s LEU 99 Ca 0.22 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2yub s LEU 99 Cb -0.14 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2yub s LEU 99 CO 0.08 0.30 0.07 -0.22 0.23 0.00 0.00 176.35 176.81 2yub s LEU 100 N -0.56 3.88 0.25 1.79 2.96 -0.65 -2.26 118.68 124.09 2yub s LEU 100 Ca 0.09 0.11 0.10 0.00 -0.22 0.00 0.00 54.13 54.21 2yub s LEU 100 Cb -0.09 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2yub s LEU 100 CO -0.01 0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.51 2yub s ILE 101 N 0.33 3.22 -0.08 6.68 -1.09 0.73 -2.73 121.20 128.26 2yub s ILE 101 Ca 0.04 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.51 2yub s ILE 101 Cb -0.12 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 2yub s ILE 101 CO -0.00 -0.32 -0.08 -0.70 -1.23 0.00 0.00 174.94 172.61 2yub s GLU 102 N -3.47 1.36 -0.59 2.79 2.12 -1.26 -2.22 118.70 117.43 2yub s GLU 102 Ca 0.30 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.33 2yub s GLU 102 Cb -0.07 -1.34 0.15 0.00 0.26 0.00 0.00 34.13 33.14 2yub s GLU 102 CO 0.18 -0.15 0.44 -1.01 -0.54 0.00 0.00 175.26 174.18 2yub s HIS 103 N 1.30 3.50 0.51 5.30 3.76 -0.86 -4.76 115.29 124.04 2yub s HIS 103 Ca -0.03 -2.33 -0.17 0.00 -0.15 0.00 0.00 55.06 52.37 2yub s HIS 103 Cb -0.14 -3.39 -0.08 0.00 1.11 0.00 0.00 32.58 30.08 2yub s HIS 103 CO -0.03 -0.92 0.99 0.16 -0.85 0.00 0.00 174.74 174.08 2yub s ASP 104 N 1.61 6.60 0.10 1.40 1.47 -1.26 -3.33 116.67 123.26 2yub s ASP 104 Ca 0.13 1.63 0.18 0.00 1.18 0.00 0.00 52.55 55.67 2yub s ASP 104 Cb -0.20 -2.52 0.76 0.00 -0.34 0.00 0.00 42.92 40.61 2yub s ASP 104 CO -0.04 -0.61 1.55 -0.81 0.68 0.00 0.00 175.17 175.95 2yub n PRO 105 N -1.43 0.08 -3.27 2.11 -0.04 -1.26 -4.73 135.00 126.45 2yub n PRO 105 Ca 0.07 0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 63.48 2yub n PRO 105 Cb 0.54 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 2yub n PRO 105 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yub s VAL 106 N -3.13 4.75 -0.28 0.52 1.01 -1.26 -5.02 120.40 116.99 2yub s VAL 106 Ca 0.06 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 2yub s VAL 106 Cb 0.09 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2yub s VAL 106 CO 0.31 0.43 1.65 -2.16 0.00 0.00 0.00 175.10 175.33 2yub s PRO 107 N -1.45 3.62 -0.20 2.72 0.04 -1.26 -4.93 135.00 133.54 2yub s PRO 107 Ca 0.33 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 2yub s PRO 107 Cb -0.18 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 2yub s PRO 107 CO 0.19 -1.51 2.19 1.04 0.04 0.00 0.00 177.00 178.95 2yub n GLN 108 N 7.96 1.99 -1.36 4.56 6.02 -1.26 -4.66 117.38 130.63 2yub n GLN 108 Ca 0.20 0.57 0.17 0.00 -0.01 0.00 0.00 57.00 57.93 2yub n GLN 108 Cb 0.46 -3.13 -0.06 0.00 1.02 0.00 0.00 30.24 28.53 2yub n GLN 108 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2yub n ARG 109 N 8.53 -2.80 -0.57 -1.09 0.63 -1.26 -4.85 116.66 115.25 2yub n ARG 109 Ca 0.30 2.08 0.00 0.00 -0.92 0.00 0.00 57.85 59.31 2yub n ARG 109 Cb 0.42 -3.41 0.00 0.00 0.45 0.00 0.00 32.46 29.92 2yub n ARG 109 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2yub n LEU 110 N -4.06 0.06 -4.70 6.15 -0.00 -1.26 -5.11 117.00 108.07 2yub n LEU 110 Ca -0.03 -1.07 -0.29 0.00 -0.00 0.00 0.00 56.01 54.62 2yub n LEU 110 Cb 0.67 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.25 2yub n LEU 110 CO 0.03 0.35 0.66 -0.62 -0.00 0.00 0.00 177.39 177.80 2yub s ASP 111 N -0.96 2.96 0.00 1.45 2.15 -1.26 -4.97 116.67 116.04 2yub s ASP 111 Ca 0.02 1.26 0.17 0.00 0.43 0.00 0.00 52.55 54.43 2yub s ASP 111 Cb 0.02 -1.92 0.48 0.00 -0.30 0.00 0.00 42.92 41.20 2yub s ASP 111 CO -0.01 -2.93 1.40 1.67 -0.17 0.00 0.00 175.17 175.13 2yub n GLN 112 N -4.05 2.75 -3.63 4.34 7.27 -1.26 -5.00 117.38 117.80 2yub n GLN 112 Ca 0.06 -2.35 -0.20 0.00 0.07 0.00 0.00 57.00 54.58 2yub n GLN 112 Cb 0.57 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.79 2yub n GLN 112 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2yub n SER 113 N 1.12 -5.54 -3.25 1.69 2.88 -1.26 -4.96 113.62 104.30 2yub n SER 113 Ca 0.18 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 2yub n SER 113 Cb 0.53 -2.59 0.00 0.00 -0.75 0.00 0.00 64.21 61.40 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yub n GLY 114 N -1.70 -2.65 0.23 0.46 0.00 -1.26 -4.93 105.19 95.35 2yub n GLY 114 Ca -0.23 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 2yub n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yub h PRO 115 N 0.00 0.63 -1.37 1.61 0.13 -2.04 -3.50 132.00 127.46 2yub h PRO 115 Ca 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2yub h PRO 115 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2yub h PRO 115 CO 0.00 0.93 -0.34 -1.13 -0.23 0.00 0.00 178.00 177.23 2yub n SER 116 N -4.02 -3.58 -1.23 1.44 3.41 -1.26 -4.82 113.62 103.56 2yub n SER 116 Ca -0.02 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 2yub n SER 116 Cb 0.53 -1.18 0.30 0.00 -0.26 0.00 0.00 64.21 63.61 2yub n SER 116 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yub n SER 117 N -1.28 4.42 0.00 4.04 7.64 -1.26 -5.30 113.62 121.88 2yub n SER 117 Ca 0.00 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.85 2yub n SER 117 Cb 0.06 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64