#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub n SER 2 N 0.00 -1.54 -0.00 1.61 7.64 -1.26 -4.95 113.62 115.12 2yub n SER 2 Ca 0.00 0.40 0.03 0.00 1.01 0.00 0.00 58.87 60.30 2yub n SER 2 Cb 0.00 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 61.91 2yub n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yub n SER 3 N -1.53 3.72 0.00 6.43 3.41 -1.26 -5.05 113.62 119.34 2yub n SER 3 Ca 0.08 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2yub n SER 3 Cb 0.53 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 2yub n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 4 N 2.17 3.18 2.01 5.00 0.00 -1.26 -5.13 105.19 111.17 2yub n GLY 4 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2yub n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yub n SER 5 N 0.00 -0.42 0.00 1.61 2.88 -1.26 -5.16 113.62 111.27 2yub n SER 5 Ca 0.00 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2yub n SER 5 Cb 0.00 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2yub n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yub n SER 6 N -3.50 0.09 -0.66 -3.46 2.88 -1.26 -5.19 113.62 102.52 2yub n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2yub n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2yub n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yub n GLY 7 N 0.28 2.19 3.68 0.46 0.00 -1.26 -5.12 105.19 105.42 2yub n GLY 7 Ca 0.00 -0.91 -0.46 0.00 0.00 0.00 0.00 46.02 44.65 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 0.58 0.00 1.61 0.31 -1.26 -4.94 118.33 114.63 2yub n VAL 8 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2yub n VAL 8 Cb 0.00 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 2yub n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yub n GLN 9 N 6.59 0.00 -3.64 5.55 6.02 -1.26 -5.06 117.38 125.57 2yub n GLN 9 Ca 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.18 2yub n GLN 9 Cb 0.33 -0.40 -0.01 0.00 1.02 0.00 0.00 30.24 31.18 2yub n GLN 9 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2yub s ASP 10 N -1.77 -0.15 0.39 1.08 2.15 -1.26 -5.17 116.67 111.94 2yub s ASP 10 Ca 0.00 -0.18 -0.11 0.00 0.43 0.00 0.00 52.55 52.68 2yub s ASP 10 Cb 0.00 0.30 -0.07 0.00 -0.30 0.00 0.00 42.92 42.85 2yub s ASP 10 CO 0.00 -0.53 0.77 -1.10 -0.17 0.00 0.00 175.17 174.13 2yub s GLN 11 N -2.81 3.81 0.15 4.34 -0.21 -1.26 -5.09 119.66 118.60 2yub s GLN 11 Ca 0.11 0.51 0.05 0.00 0.02 0.00 0.00 55.36 56.05 2yub s GLN 11 Cb 0.01 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2yub s GLN 11 CO -0.03 -0.01 0.13 -0.51 -2.12 0.00 0.00 175.29 172.75 2yub s LEU 12 N -3.72 3.84 1.19 2.90 1.43 -1.26 -5.12 118.68 117.93 2yub s LEU 12 Ca 0.52 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 2yub s LEU 12 Cb -0.10 -2.46 0.28 0.00 0.03 0.00 0.00 46.19 43.94 2yub s LEU 12 CO 0.29 0.09 1.11 -2.16 0.23 0.00 0.00 176.35 175.91 2yub s PRO 13 N -2.98 -1.14 0.57 1.29 0.04 -1.26 -5.06 135.00 126.45 2yub s PRO 13 Ca 0.31 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.22 2yub s PRO 13 Cb -0.10 -1.60 0.13 0.00 0.04 0.00 0.00 34.50 32.96 2yub s PRO 13 CO 0.23 -3.66 0.73 2.48 0.04 0.00 0.00 177.00 176.82 2yub n TYR 14 N -4.73 -3.94 -4.90 0.56 0.18 -1.26 -5.08 117.16 97.99 2yub n TYR 14 Ca 0.13 -0.65 -0.33 0.00 1.88 0.00 0.00 57.90 58.93 2yub n TYR 14 Cb 0.59 -0.58 -0.13 0.00 -0.38 0.00 0.00 39.34 38.84 2yub n TYR 14 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2yub s SER 15 N -3.66 3.97 0.32 9.48 0.01 -1.26 -4.95 113.70 117.61 2yub s SER 15 Ca 0.42 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.41 2yub s SER 15 Cb -0.01 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 2yub s SER 15 CO 0.30 0.31 0.57 0.68 0.41 0.00 0.00 173.24 175.51 2yub s VAL 16 N -0.54 5.04 0.03 3.43 -7.23 -1.26 -1.29 120.40 118.58 2yub s VAL 16 Ca 0.07 -0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.22 2yub s VAL 16 Cb -0.12 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 2yub s VAL 16 CO 0.01 -0.44 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.30 2yub s THR 17 N -2.22 1.32 0.12 5.32 2.01 0.00 -4.95 115.64 117.25 2yub s THR 17 Ca 0.43 -0.96 0.11 0.00 0.31 0.00 0.00 61.69 61.58 2yub s THR 17 Cb -0.10 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2yub s THR 17 CO 0.33 0.17 -0.27 -0.22 -0.69 0.00 0.00 174.62 173.94 2yub s LEU 18 N -0.92 2.31 -0.20 4.42 2.96 -1.26 -0.75 118.68 125.23 2yub s LEU 18 Ca 0.05 -0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 2yub s LEU 18 Cb -0.08 -1.21 0.09 0.00 0.50 0.00 0.00 46.19 45.49 2yub s LEU 18 CO 0.01 0.18 0.20 0.27 -1.32 0.00 0.00 176.35 175.69 2yub s ILE 19 N -1.05 -0.27 -0.46 6.68 -0.00 -1.07 -4.92 121.20 120.11 2yub s ILE 19 Ca 0.14 -0.17 -0.09 0.00 -0.00 0.00 0.00 60.65 60.53 2yub s ILE 19 Cb -0.10 -0.69 0.11 0.00 -0.00 0.00 0.00 42.46 41.78 2yub s ILE 19 CO 0.06 -0.25 0.32 -0.44 -0.00 0.00 0.00 174.94 174.62 2yub s SER 20 N 2.28 5.67 0.05 4.36 0.01 -1.26 -2.70 113.70 122.11 2yub s SER 20 Ca 0.06 -1.81 0.08 0.00 1.31 0.00 0.00 55.95 55.59 2yub s SER 20 Cb -0.16 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2yub s SER 20 CO -0.13 -0.65 -0.22 0.00 0.41 0.00 0.00 173.24 172.65 2yub s MET 21 N 1.37 1.44 0.92 12.44 0.23 -0.97 -4.99 119.30 129.73 2yub s MET 21 Ca 0.05 -0.99 -0.12 0.00 -1.03 0.00 0.00 55.69 53.60 2yub s MET 21 Cb -0.25 -1.58 0.14 0.00 -1.53 0.00 0.00 34.83 31.61 2yub s MET 21 CO -0.00 0.40 1.09 -1.25 -2.03 0.00 0.00 175.02 173.23 2yub s PRO 22 N -1.25 1.10 0.00 3.16 0.04 -1.26 0.97 135.00 137.75 2yub s PRO 22 Ca 0.08 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2yub s PRO 22 Cb -0.09 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2yub s PRO 22 CO 0.02 -2.34 0.00 0.00 0.04 0.00 0.00 177.00 174.72 2yub n ALA 23 N -3.94 0.00 -3.00 8.56 0.00 -1.11 -4.51 120.51 116.50 2yub n ALA 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2yub n ALA 23 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.92 0.00 -0.06 0.00 -2.24 -1.16 -4.94 114.28 104.95 2yub n THR 24 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2yub n THR 24 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.00 1.15 -4.26 4.28 -1.04 -1.26 -4.50 114.28 108.64 2yub n THR 25 Ca 0.00 0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 62.10 2yub n THR 25 Cb 0.00 -2.18 -0.10 0.00 -1.82 0.00 0.00 70.33 66.23 2yub n THR 25 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2yub s GLU 26 N -2.29 1.38 0.19 -2.82 -1.05 -1.26 -5.00 118.70 107.84 2yub s GLU 26 Ca -0.18 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 52.89 2yub s GLU 26 Cb 0.03 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 2yub s GLU 26 CO 0.27 -0.40 0.00 0.00 0.95 0.00 0.00 175.26 176.08 2yub n ARG 28 N 0.93 -1.71 -1.11 0.00 0.00 -1.26 -4.96 116.66 108.55 2yub n ARG 28 Ca 0.00 -0.64 -0.29 0.00 -0.00 0.00 0.00 57.85 56.92 2yub n ARG 28 Cb 0.00 -1.11 0.20 0.00 -0.00 0.00 0.00 32.46 31.55 2yub n ARG 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2yub s ARG 29 N -3.29 -0.25 0.00 2.89 3.00 -1.26 -4.91 118.95 115.14 2yub s ARG 29 Ca 0.29 0.31 0.15 0.00 0.00 0.00 0.00 55.73 56.48 2yub s ARG 29 Cb -0.05 -1.68 0.84 0.00 0.00 0.00 0.00 34.95 34.07 2yub s ARG 29 CO 0.25 -3.14 1.55 0.41 0.00 0.00 0.00 175.30 174.36 2yub n GLY 30 N -0.96 -0.88 2.90 -3.53 0.00 -1.26 -4.74 105.19 96.72 2yub n GLY 30 Ca 0.08 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.98 0.42 0.07 1.61 -0.71 -1.26 -2.28 117.98 113.85 2yub s PHE 31 Ca 0.22 -0.07 0.07 0.00 -1.04 0.00 0.00 56.93 56.11 2yub s PHE 31 Cb 0.11 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 2yub s PHE 31 CO 0.17 -0.06 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.73 2yub s SER 32 N 0.34 4.14 0.05 1.98 0.01 -1.16 -5.03 113.70 114.03 2yub s SER 32 Ca -0.03 -0.40 0.07 0.00 1.31 0.00 0.00 55.95 56.89 2yub s SER 32 Cb -0.07 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 2yub s SER 32 CO -0.01 0.22 -0.15 0.68 0.41 0.00 0.00 173.24 174.39 2yub s VAL 33 N -1.08 3.00 -0.17 3.43 -7.23 -1.26 -1.75 120.40 115.34 2yub s VAL 33 Ca 0.18 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.00 2yub s VAL 33 Cb -0.11 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2yub s VAL 33 CO 0.09 0.28 0.45 -0.89 -0.31 0.00 0.00 175.10 174.73 2yub s THR 34 N -1.00 5.18 -0.13 5.32 2.01 0.19 -4.87 115.64 122.33 2yub s THR 34 Ca 0.16 0.85 -0.01 0.00 0.31 0.00 0.00 61.69 63.00 2yub s THR 34 Cb -0.11 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2yub s THR 34 CO 0.07 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 2yub s VAL 35 N 1.07 3.40 0.05 3.82 1.01 -1.26 -2.56 120.40 125.93 2yub s VAL 35 Ca 0.23 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2yub s VAL 35 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2yub s VAL 35 CO 0.09 0.52 -0.25 -1.61 0.00 0.00 0.00 175.10 173.84 2yub s GLU 36 N 0.28 1.80 0.01 2.72 2.02 -0.99 -5.02 118.70 119.51 2yub s GLU 36 Ca -0.07 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 53.82 2yub s GLU 36 Cb -0.15 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 2yub s GLU 36 CO 0.04 0.51 -0.05 -1.12 0.02 0.00 0.00 175.26 174.66 2yub s SER 37 N -1.36 0.57 0.00 -0.19 0.01 -1.26 -0.38 113.70 111.09 2yub s SER 37 Ca 0.12 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2yub s SER 37 Cb -0.10 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2yub s SER 37 CO 0.03 -0.07 0.00 0.00 0.41 0.00 0.00 173.24 173.61 2yub n ALA 38 N 2.35 0.00 -0.30 1.44 0.00 -1.26 -4.97 120.51 117.77 2yub n ALA 38 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2yub n ALA 38 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 2yub n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yub n SER 39 N -1.26 -0.45 -1.00 0.00 7.64 -1.26 -4.68 113.62 112.61 2yub n SER 39 Ca 0.00 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.26 2yub n SER 39 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2yub n SER 39 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yub n SER 40 N -5.21 0.44 0.07 6.43 2.88 -1.26 -5.03 113.62 111.93 2yub n SER 40 Ca 0.09 -0.82 0.13 0.00 -1.33 0.00 0.00 58.87 56.95 2yub n SER 40 Cb 0.34 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.25 2yub n SER 40 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2yub n ASN 41 N -2.10 0.55 -3.42 -3.46 0.23 -1.26 -4.85 115.26 100.94 2yub n ASN 41 Ca 0.00 0.50 -0.18 0.00 -0.53 0.00 0.00 54.58 54.36 2yub n ASN 41 Cb 0.00 -0.61 0.12 0.00 -2.08 0.00 0.00 39.78 37.21 2yub n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yub n TYR 42 N -1.99 -3.70 -1.30 -2.53 4.11 -1.26 -4.44 117.16 106.05 2yub n TYR 42 Ca 0.06 -0.92 -0.31 0.00 -0.00 0.00 0.00 57.90 56.73 2yub n TYR 42 Cb 0.40 -0.63 0.09 0.00 -0.00 0.00 0.00 39.34 39.20 2yub n TYR 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yub s ALA 43 N -3.68 2.30 0.00 -3.48 0.00 -1.06 -4.53 121.76 111.32 2yub s ALA 43 Ca 0.49 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2yub s ALA 43 Cb -0.02 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2yub s ALA 43 CO 0.34 -1.70 0.00 2.41 0.00 0.00 0.00 175.76 176.80 2yub n THR 44 N -3.48 0.00 -3.72 0.00 -1.04 0.49 -4.64 114.28 101.89 2yub n THR 44 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 2yub n THR 44 Cb 0.53 -0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 67.99 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 -1.92 0.00 0.06 12.58 2.01 -1.22 -4.78 115.64 122.36 2yub s THR 45 Ca 0.00 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.06 2yub s THR 45 Cb 0.00 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 2yub s THR 45 CO 0.00 -0.01 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.01 2yub s VAL 46 N 0.16 1.79 0.00 3.82 1.01 -1.26 -2.36 120.40 123.56 2yub s VAL 46 Ca -0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.54 2yub s VAL 46 Cb -0.03 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.81 2yub s VAL 46 CO 0.01 0.20 0.28 -1.58 0.00 0.00 0.00 175.10 174.01 2yub s GLN 47 N -1.32 0.67 -0.54 2.72 0.74 -1.06 -3.98 119.66 116.89 2yub s GLN 47 Ca 0.08 -0.29 -0.28 0.00 0.05 0.00 0.00 55.36 54.92 2yub s GLN 47 Cb -0.09 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.33 2yub s GLN 47 CO 0.02 -0.19 1.33 0.08 -0.55 0.00 0.00 175.29 175.98 2yub s VAL 48 N -1.60 3.90 0.01 1.34 1.01 -1.15 -0.63 120.40 123.27 2yub s VAL 48 Ca -0.12 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 2yub s VAL 48 Cb -0.05 -4.50 -0.08 0.00 0.00 0.00 0.00 36.38 31.75 2yub s VAL 48 CO 0.02 -1.15 1.02 0.50 0.00 0.00 0.00 175.10 175.50 2yub h LYS 49 N 10.44 -0.49 -3.20 2.72 3.64 -1.68 -3.40 116.57 124.60 2yub h LYS 49 Ca -0.26 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.02 2yub h LYS 49 Cb 1.08 0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.80 2yub h LYS 49 CO 1.16 -0.32 -0.36 -1.21 -2.27 0.00 0.00 179.45 176.45 2yub s GLU 50 N -3.77 0.57 -0.11 1.90 0.41 -1.23 -4.93 118.70 111.53 2yub s GLU 50 Ca -0.07 -0.21 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 2yub s GLU 50 Cb 0.01 0.25 0.02 0.00 -1.78 0.00 0.00 34.13 32.63 2yub s GLU 50 CO 0.22 -0.15 -0.12 0.08 -0.49 0.00 0.00 175.26 174.80 2yub s VAL 51 N -1.21 1.31 -0.19 2.63 1.01 -1.26 -2.98 120.40 119.71 2yub s VAL 51 Ca -0.13 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2yub s VAL 51 Cb -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2yub s VAL 51 CO 0.03 0.41 0.40 0.21 0.00 0.00 0.00 175.10 176.15 2yub s ASN 52 N 1.31 6.47 0.15 3.32 3.84 -0.97 -4.93 114.94 124.14 2yub s ASN 52 Ca -0.01 0.56 0.25 0.00 0.21 0.00 0.00 52.86 53.87 2yub s ASN 52 Cb -0.14 -2.24 0.57 0.00 -0.55 0.00 0.00 41.25 38.90 2yub s ASN 52 CO -0.05 -0.06 1.54 0.54 -2.79 0.00 0.00 177.10 176.27 2yub n ARG 53 N 4.32 0.26 0.00 0.43 1.74 -1.26 -2.65 116.66 119.50 2yub n ARG 53 Ca -0.08 0.14 0.15 0.00 -0.77 0.00 0.00 57.85 57.28 2yub n ARG 53 Cb 0.51 -1.73 0.64 0.00 -1.02 0.00 0.00 32.46 30.86 2yub n ARG 53 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2yub n MET 54 N -2.14 1.39 -0.00 5.56 2.81 -1.26 -3.88 117.12 119.59 2yub n MET 54 Ca 0.04 -0.64 -0.00 0.00 -1.81 0.00 0.00 57.70 55.29 2yub n MET 54 Cb 0.43 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2yub n MET 54 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2yub n HIS 55 N -0.25 0.00 -3.64 2.03 8.25 -1.21 -5.05 115.22 115.36 2yub n HIS 55 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.37 2yub n HIS 55 Cb 0.28 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 2yub n HIS 55 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2yub s ILE 56 N -2.00 5.17 0.65 1.59 1.01 -1.08 -4.82 121.20 121.71 2yub s ILE 56 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 2yub s ILE 56 Cb 0.00 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 2yub s ILE 56 CO 0.00 -0.14 1.02 -0.44 0.00 0.00 0.00 174.94 175.39 2yub s SER 57 N -2.97 5.69 0.15 3.58 0.01 -1.26 -4.83 113.70 114.07 2yub s SER 57 Ca 0.40 1.08 0.20 0.00 1.31 0.00 0.00 55.95 58.94 2yub s SER 57 Cb -0.11 -2.01 0.83 0.00 0.21 0.00 0.00 66.02 64.94 2yub s SER 57 CO 0.28 -1.14 1.61 -0.81 0.41 0.00 0.00 173.24 173.59 2yub n PRO 58 N -2.81 0.11 0.06 12.44 -0.04 -1.26 -0.06 135.00 143.44 2yub n PRO 58 Ca 0.06 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2yub n PRO 58 Cb 0.56 -1.72 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2yub n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2yub n ASN 59 N -1.94 0.70 -0.04 3.54 4.13 -1.26 -3.79 115.26 116.59 2yub n ASN 59 Ca 0.03 0.08 -0.04 0.00 1.68 0.00 0.00 54.58 56.32 2yub n ASN 59 Cb 0.20 0.46 -0.07 0.00 -1.54 0.00 0.00 39.78 38.84 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2yub n ASN 60 N -2.22 2.91 0.00 6.41 5.03 -0.89 -4.49 115.26 122.02 2yub n ASN 60 Ca 0.02 -0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.56 2yub n ASN 60 Cb 0.47 0.65 0.47 0.00 -1.02 0.00 0.00 39.78 40.35 2yub n ASN 60 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2yub n ARG 61 N -2.35 0.11 -0.16 3.52 -4.01 0.91 -2.32 116.66 112.36 2yub n ARG 61 Ca -0.14 0.13 0.10 0.00 -1.04 0.00 0.00 57.85 56.89 2yub n ARG 61 Cb 0.77 -1.50 0.28 0.00 -3.04 0.00 0.00 32.46 28.97 2yub n ARG 61 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 2yub n ASN 62 N -1.42 2.29 0.00 2.89 2.85 -1.25 -4.19 115.26 116.43 2yub n ASN 62 Ca 0.07 -1.87 0.00 0.00 -0.11 0.00 0.00 54.58 52.67 2yub n ASN 62 Cb 0.21 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.03 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 0.73 1.94 -2.87 5.20 0.00 -0.98 -5.08 120.51 119.46 2yub n ALA 63 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 2yub n ALA 63 Cb 0.40 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.75 4.83 0.00 0.00 2.07 -1.08 -4.93 121.20 120.34 2yub s ILE 64 Ca 0.00 -1.15 0.00 0.00 -1.41 0.00 0.00 60.65 58.09 2yub s ILE 64 Cb 0.00 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.94 2yub s ILE 64 CO 0.00 -0.32 0.00 1.41 -1.91 0.00 0.00 174.94 174.12 2yub n HIS 65 N -1.35 0.00 -2.16 3.50 8.25 -1.26 -4.77 115.22 117.43 2yub n HIS 65 Ca -0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 2yub n HIS 65 Cb 0.57 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 2yub n HIS 65 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2yub s PRO 66 N -2.00 4.22 0.00 -0.41 0.04 -1.26 -3.63 135.00 131.95 2yub s PRO 66 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2yub s PRO 66 Cb 0.00 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2yub s PRO 66 CO 0.00 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2yub n GLY 67 N 3.87 0.04 3.60 0.56 0.00 -1.26 -5.10 105.19 106.90 2yub n GLY 67 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 3.28 0.08 1.61 1.01 -1.24 -4.99 116.67 116.17 2yub s ASP 68 Ca 0.00 -1.59 0.07 0.00 0.71 0.00 0.00 52.55 51.74 2yub s ASP 68 Cb 0.00 0.33 -0.03 0.00 1.01 0.00 0.00 42.92 44.23 2yub s ASP 68 CO 0.00 -0.81 -0.20 -0.13 0.21 0.00 0.00 175.17 174.25 2yub s ARG 69 N -3.79 1.17 -0.15 8.23 3.00 -1.26 -2.94 118.95 123.20 2yub s ARG 69 Ca 0.21 -1.04 -0.24 0.00 0.00 0.00 0.00 55.73 54.66 2yub s ARG 69 Cb 0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 34.95 33.62 2yub s ARG 69 CO 0.11 0.33 0.76 0.42 0.00 0.00 0.00 175.30 176.92 2yub s ILE 70 N -1.03 4.94 -0.14 1.52 1.01 -1.26 -3.47 121.20 122.79 2yub s ILE 70 Ca 0.06 1.50 -0.22 0.00 0.00 0.00 0.00 60.65 61.99 2yub s ILE 70 Cb -0.09 -4.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.05 2yub s ILE 70 CO 0.03 0.09 0.56 -0.07 0.00 0.00 0.00 174.94 175.55 2yub h LEU 71 N 7.96 0.18 -7.52 2.97 -0.00 -1.48 -3.45 115.31 113.98 2yub h LEU 71 Ca -0.32 -0.81 -0.11 0.00 -0.00 0.00 0.00 57.88 56.63 2yub h LEU 71 Cb 1.15 -0.06 -0.19 0.00 -0.00 0.00 0.00 40.66 41.55 2yub h LEU 71 CO 0.80 1.39 -0.27 -1.61 -0.00 0.00 0.00 178.44 178.75 2yub s GLU 72 N -2.37 0.70 -0.21 1.13 8.01 -1.26 -3.74 118.70 120.96 2yub s GLU 72 Ca -0.21 -0.25 0.01 0.00 0.01 0.00 0.00 54.97 54.52 2yub s GLU 72 Cb 0.02 0.31 0.05 0.00 -4.31 0.00 0.00 34.13 30.20 2yub s GLU 72 CO 0.71 -0.20 -0.07 0.42 0.01 0.00 0.00 175.26 176.12 2yub s ILE 73 N -1.57 1.50 0.00 -1.63 1.01 -1.12 -1.29 121.20 118.10 2yub s ILE 73 Ca -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2yub s ILE 73 Cb -0.04 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2yub s ILE 73 CO 0.03 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.60 2yub n ASN 74 N 4.71 -0.25 0.00 3.58 5.03 -1.00 -3.47 115.26 123.86 2yub n ASN 74 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2yub n ASN 74 Cb 0.46 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yub n GLY 75 N -2.03 0.88 3.14 7.41 0.00 -1.26 -5.02 105.19 108.31 2yub n GLY 75 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.71 0.06 0.06 2.61 -4.23 -1.23 -5.14 115.64 106.06 2yub s THR 76 Ca 0.00 -0.54 -0.31 0.00 -1.18 0.00 0.00 61.69 59.67 2yub s THR 76 Cb 0.00 -0.46 -0.07 0.00 1.34 0.00 0.00 72.50 73.31 2yub s THR 76 CO 0.00 -0.29 1.41 -2.16 -0.54 0.00 0.00 174.62 173.03 2yub s PRO 77 N -1.15 4.30 0.00 3.99 0.04 -1.26 -2.78 135.00 138.14 2yub s PRO 77 Ca -0.12 2.03 0.28 0.00 0.04 0.00 0.00 61.00 63.23 2yub s PRO 77 Cb -0.06 -3.43 1.09 0.00 0.04 0.00 0.00 34.50 32.14 2yub s PRO 77 CO 0.02 -0.52 1.79 1.33 0.04 0.00 0.00 177.00 179.67 2yub n VAL 78 N 4.34 0.00 0.08 -0.36 0.24 -1.25 -1.80 118.33 119.59 2yub n VAL 78 Ca 0.12 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.34 62.18 2yub n VAL 78 Cb 0.43 -0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.51 2yub n VAL 78 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2yub h ARG 79 N 0.29 0.38 0.06 7.34 -0.00 -1.86 -3.39 114.38 117.19 2yub h ARG 79 Ca 0.00 -0.65 -0.35 0.00 -0.50 0.00 0.00 59.98 58.48 2yub h ARG 79 Cb 0.42 0.24 -0.04 0.00 0.00 0.00 0.00 29.97 30.59 2yub h ARG 79 CO 0.00 1.29 -2.05 0.25 0.00 0.00 0.00 179.97 179.45 2yub n THR 80 N -3.57 1.64 -0.93 2.04 -2.24 -1.24 -4.43 114.28 105.55 2yub n THR 80 Ca -0.22 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 2yub n THR 80 Cb 1.07 -1.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.01 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 -3.25 -4.05 -4.88 3.22 4.77 -0.74 -4.63 117.00 107.44 2yub n LEU 81 Ca -0.31 0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 2yub n LEU 81 Cb 1.05 -0.91 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2yub n LEU 81 CO 0.40 -5.18 0.75 -0.13 -1.33 0.00 0.00 177.39 171.90 2yub s ARG 82 N -2.56 2.80 0.05 3.23 0.52 -1.26 -2.56 118.95 119.17 2yub s ARG 82 Ca 0.46 0.49 -0.26 0.00 -0.52 0.00 0.00 55.73 55.89 2yub s ARG 82 Cb -0.19 -2.01 -0.17 0.00 0.52 0.00 0.00 34.95 33.10 2yub s ARG 82 CO 0.77 -1.08 1.53 0.28 0.02 0.00 0.00 175.30 176.82 2yub h VAL 83 N -0.69 0.80 0.00 3.52 2.07 -1.85 -1.81 116.25 118.29 2yub h VAL 83 Ca -0.45 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2yub h VAL 83 Cb 1.25 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2yub h VAL 83 CO 0.63 0.06 -0.06 1.05 0.02 0.00 0.00 177.57 179.28 2yub h GLU 84 N -0.47 0.00 0.20 1.57 4.11 -1.94 -2.85 114.58 115.20 2yub h GLU 84 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2yub h GLU 84 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2yub h GLU 84 CO 0.05 0.06 -0.10 0.93 0.07 0.00 0.00 179.01 180.02 2yub h GLU 85 N 0.00 -0.26 -0.22 1.06 4.39 -1.84 0.16 114.58 117.87 2yub h GLU 85 Ca -0.00 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.78 2yub h GLU 85 Cb 0.36 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2yub h GLU 85 CO 0.01 0.14 0.16 0.28 -1.16 0.00 0.00 179.01 178.43 2yub h VAL 86 N -0.85 0.88 0.00 3.13 2.07 -1.24 -2.12 116.25 118.11 2yub h VAL 86 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2yub h VAL 86 Cb 0.51 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2yub h VAL 86 CO 0.04 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.16 2yub h GLU 87 N 0.00 0.00 -0.94 1.57 4.39 -1.50 -3.33 114.58 114.76 2yub h GLU 87 Ca 0.10 0.00 0.28 0.00 0.34 0.00 0.00 59.36 60.08 2yub h GLU 87 Cb 0.42 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.92 2yub h GLU 87 CO -0.00 0.50 0.39 -0.44 -1.16 0.00 0.00 179.01 178.29 2yub h ASP 88 N -1.00 0.23 -1.00 1.42 3.32 -0.47 0.58 116.42 119.50 2yub h ASP 88 Ca -0.03 0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.32 2yub h ASP 88 Cb 0.57 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.25 2yub h ASP 88 CO -0.02 -0.15 0.63 0.00 -1.72 0.00 0.00 179.24 177.98 2yub h ALA 89 N 1.82 1.47 -0.50 3.45 0.00 -1.52 1.65 119.26 125.63 2yub h ALA 89 Ca 0.64 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.45 2yub h ALA 89 Cb 1.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2yub h ALA 89 CO -0.64 0.30 -0.11 0.82 0.00 0.00 0.00 179.25 179.62 2yub h ILE 90 N 1.05 1.27 -0.01 0.00 1.08 0.04 -2.79 117.51 118.15 2yub h ILE 90 Ca 0.47 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2yub h ILE 90 Cb 0.38 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2yub h ILE 90 CO -0.24 0.43 -0.26 2.29 -0.69 0.00 0.00 178.15 179.69 2yub n LYS 91 N -4.21 0.63 -1.82 2.37 2.85 -0.64 -4.02 118.16 113.32 2yub n LYS 91 Ca 0.01 -0.33 -0.24 0.00 -1.05 0.00 0.00 58.31 56.70 2yub n LYS 91 Cb 0.39 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 33.19 2yub n LYS 91 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2yub n GLN 92 N -0.90 0.98 -1.66 -1.58 6.02 0.56 -4.75 117.38 116.05 2yub n GLN 92 Ca 0.11 -2.13 -0.31 0.00 -0.01 0.00 0.00 57.00 54.66 2yub n GLN 92 Cb 0.33 -3.77 -0.03 0.00 1.02 0.00 0.00 30.24 27.79 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2yub n THR 93 N 8.25 3.55 -0.01 5.09 -2.24 -1.26 -4.26 114.28 123.40 2yub n THR 93 Ca 0.44 -3.48 -0.01 0.00 -2.27 0.00 0.00 64.05 58.72 2yub n THR 93 Cb 0.46 -1.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.17 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 0.51 0.55 -4.50 3.42 7.64 -1.26 -3.01 113.62 116.98 2yub n SER 94 Ca 0.51 0.01 -0.27 0.00 1.01 0.00 0.00 58.87 60.13 2yub n SER 94 Cb 0.44 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 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 -3.00 0.83 -1.76 1.43 10.64 -1.26 -4.61 117.38 119.65 2yub n GLN 95 Ca -0.03 -3.29 -0.42 0.00 -1.83 0.00 0.00 57.00 51.44 2yub n GLN 95 Cb 0.52 0.69 -0.03 0.00 -0.86 0.00 0.00 30.24 30.56 2yub n GLN 95 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2yub s THR 96 N -2.60 3.12 -0.25 -0.39 -4.23 -1.26 -2.77 115.64 107.25 2yub s THR 96 Ca 0.11 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.62 2yub s THR 96 Cb -0.01 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 2yub s THR 96 CO 0.07 -0.02 0.57 -0.22 -0.54 0.00 0.00 174.62 174.48 2yub s LEU 97 N 4.21 4.06 0.04 4.79 2.96 0.27 -4.90 118.68 130.11 2yub s LEU 97 Ca 0.84 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.42 2yub s LEU 97 Cb -0.41 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 2yub s LEU 97 CO 0.38 -0.32 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.42 2yub s GLN 98 N 2.36 2.36 -0.04 1.98 0.74 -1.26 -2.30 119.66 123.51 2yub s GLN 98 Ca 0.24 -0.85 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 2yub s GLN 98 Cb -0.16 -2.40 0.01 0.00 1.10 0.00 0.00 33.01 31.57 2yub s GLN 98 CO 0.09 0.57 0.10 -0.51 -0.55 0.00 0.00 175.29 174.98 2yub s LEU 99 N -1.64 1.50 -0.23 3.68 1.43 -1.10 -2.37 118.68 119.95 2yub s LEU 99 Ca 0.18 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 2yub s LEU 99 Cb -0.11 0.31 -0.02 0.00 0.03 0.00 0.00 46.19 46.41 2yub s LEU 99 CO 0.09 -0.05 0.01 -0.22 0.23 0.00 0.00 176.35 176.40 2yub s LEU 100 N 0.23 3.14 0.22 1.79 2.96 -0.41 -2.59 118.68 124.01 2yub s LEU 100 Ca -0.01 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2yub s LEU 100 Cb -0.02 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2yub s LEU 100 CO -0.01 -0.03 0.15 -0.63 -1.32 0.00 0.00 176.35 174.52 2yub s ILE 101 N 1.53 4.37 -0.11 6.68 -1.09 0.07 -1.13 121.20 131.52 2yub s ILE 101 Ca 0.06 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 2yub s ILE 101 Cb -0.15 -3.31 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 2yub s ILE 101 CO -0.00 -0.26 -0.10 -0.70 -1.23 0.00 0.00 174.94 172.65 2yub s GLU 102 N -3.53 1.77 0.42 2.79 2.12 -1.23 -0.82 118.70 120.23 2yub s GLU 102 Ca 0.32 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 55.05 2yub s GLU 102 Cb -0.09 -1.67 -0.09 0.00 0.26 0.00 0.00 34.13 32.54 2yub s GLU 102 CO 0.24 -0.18 1.03 -1.58 -0.54 0.00 0.00 175.26 174.22 2yub s HIS 103 N 1.38 3.22 -0.44 5.30 5.65 -0.41 -4.52 115.29 125.47 2yub s HIS 103 Ca -0.00 1.63 0.06 0.00 0.25 0.00 0.00 55.06 57.00 2yub s HIS 103 Cb -0.13 -3.06 0.20 0.00 -1.18 0.00 0.00 32.58 28.41 2yub s HIS 103 CO -0.06 -0.56 0.54 -0.40 -0.65 0.00 0.00 174.74 173.61 2yub n ASP 104 N -0.36 -1.34 0.06 9.88 5.68 -1.26 -4.39 116.55 124.83 2yub n ASP 104 Ca 0.06 -2.69 -0.04 0.00 -0.50 0.00 0.00 54.79 51.62 2yub n ASP 104 Cb 0.51 0.26 0.16 0.00 -1.14 0.00 0.00 41.12 40.92 2yub n ASP 104 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2yub h PRO 105 N 4.91 0.34 -4.11 0.11 0.13 -2.00 -3.46 132.00 127.92 2yub h PRO 105 Ca 0.12 -0.18 -0.44 0.00 -0.87 0.00 0.00 66.00 64.63 2yub h PRO 105 Cb 0.96 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.19 2yub h PRO 105 CO 0.30 0.73 -0.49 1.55 -0.23 0.00 0.00 178.00 179.87 2yub n VAL 106 N -4.00 0.97 -2.10 1.56 3.14 -1.26 -4.74 118.33 111.90 2yub n VAL 106 Ca -0.02 -0.34 -0.43 0.00 -2.96 0.00 0.00 64.34 60.59 2yub n VAL 106 Cb 0.52 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.27 2yub n VAL 106 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2yub s PRO 107 N -0.68 3.57 -0.90 1.45 0.04 -1.26 -4.95 135.00 132.26 2yub s PRO 107 Ca 0.42 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 2yub s PRO 107 Cb -0.55 -4.10 0.15 0.00 0.04 0.00 0.00 34.50 30.03 2yub s PRO 107 CO 0.40 -1.57 1.05 -0.65 0.04 0.00 0.00 177.00 176.27 2yub s GLN 108 N 5.13 3.58 2.33 4.56 -0.21 -1.26 -4.93 119.66 128.85 2yub s GLN 108 Ca 0.73 -1.87 0.00 0.00 0.02 0.00 0.00 55.36 54.25 2yub s GLN 108 Cb -0.22 -4.80 0.00 0.00 1.00 0.00 0.00 33.01 28.99 2yub s GLN 108 CO 0.32 -1.68 0.00 -2.13 -2.12 0.00 0.00 175.29 169.68 2yub n ARG 109 N 6.07 0.00 -0.37 2.91 3.00 -1.26 -4.90 116.66 122.11 2yub n ARG 109 Ca 0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.90 2yub n ARG 109 Cb 0.48 0.00 0.14 0.00 0.00 0.00 0.00 32.46 33.09 2yub n ARG 109 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2yub n LEU 110 N 0.00 0.00 -0.07 6.15 -0.00 -1.26 -5.02 117.00 116.80 2yub n LEU 110 Ca 0.00 -0.55 -0.05 0.00 -0.00 0.00 0.00 56.01 55.41 2yub n LEU 110 Cb 0.00 -0.53 -0.02 0.00 -0.00 0.00 0.00 43.42 42.88 2yub n LEU 110 CO 0.00 -1.86 -0.33 -0.78 -0.00 0.00 0.00 177.39 174.41 2yub h ASP 111 N -2.31 0.00 -3.09 1.45 3.58 -2.01 -3.50 116.42 110.54 2yub h ASP 111 Ca -0.21 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.29 2yub h ASP 111 Cb 0.68 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 41.47 2yub h ASP 111 CO 0.13 0.76 0.38 -1.58 -2.88 0.00 0.00 179.24 176.05 2yub s GLN 112 N -2.22 0.52 -0.04 0.28 0.74 -1.26 -5.05 119.66 112.63 2yub s GLN 112 Ca -0.14 0.70 0.07 0.00 0.05 0.00 0.00 55.36 56.03 2yub s GLN 112 Cb 0.02 0.21 -0.10 0.00 1.10 0.00 0.00 33.01 34.24 2yub s GLN 112 CO 0.22 -0.08 0.08 -1.13 -0.55 0.00 0.00 175.29 173.83 2yub n SER 113 N 2.78 3.32 0.00 6.67 3.41 -1.26 -5.14 113.62 123.40 2yub n SER 113 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2yub n SER 113 Cb 0.56 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 114 N 2.36 -4.01 3.73 5.00 0.00 -1.26 -5.01 105.19 106.00 2yub n GLY 114 Ca -0.07 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 2yub n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yub s PRO 115 N -0.95 1.43 -0.05 1.61 0.04 -1.26 -5.07 135.00 130.75 2yub s PRO 115 Ca 0.00 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 2yub s PRO 115 Cb 0.00 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.75 2yub s PRO 115 CO 0.00 -2.14 0.07 -1.12 0.04 0.00 0.00 177.00 173.85 2yub s SER 116 N -3.42 1.17 -0.16 6.66 0.01 -1.26 -5.14 113.70 111.57 2yub s SER 116 Ca 0.63 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.85 2yub s SER 116 Cb -0.18 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 2yub s SER 116 CO 0.57 -0.26 0.18 -0.55 0.41 0.00 0.00 173.24 173.59 2yub s SER 117 N 2.18 6.34 0.00 2.44 0.15 -1.26 -5.34 113.70 118.21 2yub s SER 117 Ca 0.05 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2yub s SER 117 Cb -0.12 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2yub s SER 117 CO -0.04 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.26