#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 -6.98 -4.69 1.61 2.88 -1.26 -5.02 113.62 100.17 2yub n SER 2 Ca 0.00 0.47 -0.19 0.00 -1.33 0.00 0.00 58.87 57.82 2yub n SER 2 Cb 0.00 -3.58 0.05 0.00 -0.75 0.00 0.00 64.21 59.94 2yub n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 3 N 0.20 2.05 0.00 -3.46 7.64 -1.26 -5.12 113.62 113.67 2yub n SER 3 Ca 0.01 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.43 2yub n SER 3 Cb 0.45 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.44 2.27 2.65 0.23 0.00 -1.26 -5.13 105.19 102.51 2yub n GLY 4 Ca 0.12 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 2yub n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yub n SER 5 N 0.00 -1.09 -4.14 1.61 3.41 -1.26 -5.10 113.62 107.05 2yub n SER 5 Ca 0.00 -0.98 -0.38 0.00 -0.26 0.00 0.00 58.87 57.25 2yub n SER 5 Cb 0.00 0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 2yub n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yub s SER 6 N 0.58 5.93 0.00 4.04 0.01 -1.26 -4.91 113.70 118.09 2yub s SER 6 Ca 0.23 -3.35 0.00 0.00 1.31 0.00 0.00 55.95 54.15 2yub s SER 6 Cb 0.17 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2yub s SER 6 CO -0.09 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2yub n GLY 7 N 2.87 2.74 3.76 3.44 0.00 -1.26 -5.11 105.19 111.63 2yub n GLY 7 Ca 0.17 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2yub n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yub n VAL 8 N 0.00 2.34 0.49 1.61 0.24 -1.26 -4.92 118.33 116.83 2yub n VAL 8 Ca 0.00 -0.50 0.07 0.00 -2.04 0.00 0.00 64.34 61.87 2yub n VAL 8 Cb 0.00 -1.87 0.07 0.00 -1.47 0.00 0.00 33.84 30.57 2yub n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yub n GLN 9 N 0.18 1.15 -1.49 7.34 6.02 -1.26 -4.61 117.38 124.71 2yub n GLN 9 Ca 0.03 -1.43 -0.28 0.00 -0.01 0.00 0.00 57.00 55.31 2yub n GLN 9 Cb 0.40 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 2yub n GLN 9 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2yub n ASP 10 N 0.78 6.68 -3.62 1.08 2.03 -1.26 -4.75 116.55 117.49 2yub n ASP 10 Ca 0.09 -3.31 -0.29 0.00 0.52 0.00 0.00 54.79 51.80 2yub n ASP 10 Cb 0.36 -1.18 -0.13 0.00 -0.72 0.00 0.00 41.12 39.45 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 -2.16 0.97 0.61 -0.67 -0.21 -1.26 -5.12 119.66 111.82 2yub s GLN 11 Ca 0.55 -1.69 -0.19 0.00 0.02 0.00 0.00 55.36 54.05 2yub s GLN 11 Cb 0.38 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 2yub s GLN 11 CO -0.22 -1.17 1.30 -0.51 -2.12 0.00 0.00 175.29 172.57 2yub s LEU 12 N 0.71 3.66 0.83 2.90 1.43 -1.26 -4.99 118.68 121.96 2yub s LEU 12 Ca 0.17 2.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.80 2yub s LEU 12 Cb -0.24 -4.52 0.09 0.00 0.03 0.00 0.00 46.19 41.55 2yub s LEU 12 CO -0.01 -1.84 1.09 -2.16 0.23 0.00 0.00 176.35 173.66 2yub s PRO 13 N -3.24 1.76 0.18 1.29 0.04 -1.26 -4.98 135.00 128.79 2yub s PRO 13 Ca 0.79 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2yub s PRO 13 Cb -0.38 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2yub s PRO 13 CO 0.41 -1.94 0.24 2.48 0.04 0.00 0.00 177.00 178.23 2yub n TYR 14 N -3.70 -2.95 -4.99 0.56 0.18 -1.26 -5.05 117.16 99.94 2yub n TYR 14 Ca 0.08 -0.56 -0.32 0.00 1.88 0.00 0.00 57.90 58.98 2yub n TYR 14 Cb 0.54 -0.17 -0.15 0.00 -0.38 0.00 0.00 39.34 39.18 2yub n TYR 14 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2yub s SER 15 N -2.05 3.64 0.07 9.48 1.04 -1.26 -5.02 113.70 119.61 2yub s SER 15 Ca 0.18 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.07 2yub s SER 15 Cb -0.01 -1.24 -0.06 0.00 0.10 0.00 0.00 66.02 64.80 2yub s SER 15 CO 0.11 0.22 0.50 -0.69 0.98 0.00 0.00 173.24 174.36 2yub s VAL 16 N 0.01 4.89 -0.01 5.02 1.01 -1.26 -3.51 120.40 126.55 2yub s VAL 16 Ca -0.06 0.92 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2yub s VAL 16 Cb -0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2yub s VAL 16 CO 0.05 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.54 2yub s THR 17 N -1.23 2.90 0.13 3.92 2.01 -0.63 -4.98 115.64 117.75 2yub s THR 17 Ca 0.30 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.43 2yub s THR 17 Cb -0.17 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2yub s THR 17 CO 0.17 0.47 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.18 2yub s LEU 18 N -1.06 2.38 -0.08 4.42 2.96 -1.26 -0.93 118.68 125.11 2yub s LEU 18 Ca 0.13 -0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 2yub s LEU 18 Cb -0.11 -0.73 0.04 0.00 0.50 0.00 0.00 46.19 45.90 2yub s LEU 18 CO 0.03 -0.05 0.18 0.27 -1.32 0.00 0.00 176.35 175.46 2yub s ILE 19 N -1.80 -0.04 -0.37 6.68 -4.36 -0.64 -4.99 121.20 115.68 2yub s ILE 19 Ca 0.10 0.16 0.02 0.00 -0.26 0.00 0.00 60.65 60.67 2yub s ILE 19 Cb -0.07 -0.29 0.11 0.00 1.25 0.00 0.00 42.46 43.47 2yub s ILE 19 CO 0.05 0.06 0.12 -0.94 0.24 0.00 0.00 174.94 174.47 2yub s SER 20 N 1.12 4.33 0.07 4.36 1.04 -1.26 -1.81 113.70 121.54 2yub s SER 20 Ca -0.08 -2.18 0.09 0.00 0.48 0.00 0.00 55.95 54.25 2yub s SER 20 Cb -0.10 -1.32 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 2yub s SER 20 CO -0.06 -0.35 -0.24 -0.04 0.98 0.00 0.00 173.24 173.53 2yub s MET 21 N 0.88 1.46 0.92 4.02 -1.94 -1.22 -5.00 119.30 118.42 2yub s MET 21 Ca 0.12 -1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 52.88 2yub s MET 21 Cb -0.20 -1.69 0.14 0.00 2.01 0.00 0.00 34.83 35.09 2yub s MET 21 CO -0.11 0.42 1.09 -1.25 -0.01 0.00 0.00 175.02 175.16 2yub s PRO 22 N -1.48 1.08 0.02 2.03 0.04 -1.26 -0.40 135.00 135.02 2yub s PRO 22 Ca 0.10 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 2yub s PRO 22 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2yub s PRO 22 CO 0.03 -2.34 0.02 0.00 0.04 0.00 0.00 177.00 174.75 2yub n ALA 23 N -3.95 -0.04 -3.06 8.56 0.00 -0.76 -4.62 120.51 116.65 2yub n ALA 23 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2yub n ALA 23 Cb 0.56 -0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 2yub n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yub s THR 24 N -1.04 0.07 0.01 0.00 -4.23 -1.26 -4.90 115.64 104.30 2yub s THR 24 Ca 0.01 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2yub s THR 24 Cb -0.00 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 2yub s THR 24 CO 0.01 -0.32 0.97 0.41 -0.54 0.00 0.00 174.62 175.15 2yub n THR 25 N 1.81 -0.06 0.00 3.99 -1.04 -1.26 -4.36 114.28 113.36 2yub n THR 25 Ca -0.21 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.27 2yub n THR 25 Cb 0.56 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 2yub n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2yub n GLU 26 N -3.14 0.00 0.00 -2.82 -0.58 -1.26 -4.90 120.64 107.93 2yub n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2yub n GLU 26 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yub s ARG 28 N 0.00 0.39 0.57 0.00 3.52 -1.26 -5.00 118.95 117.17 2yub s ARG 28 Ca 0.00 0.53 0.35 0.00 -0.13 0.00 0.00 55.73 56.48 2yub s ARG 28 Cb 0.00 0.16 1.19 0.00 -1.56 0.00 0.00 34.95 34.74 2yub s ARG 28 CO 0.00 -0.06 1.35 2.89 -0.81 0.00 0.00 175.30 178.67 2yub n ARG 29 N 2.59 0.01 0.00 5.12 0.00 -1.26 -4.75 116.66 118.36 2yub n ARG 29 Ca -0.14 1.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.72 2yub n ARG 29 Cb 0.56 -2.44 0.00 0.00 -0.00 0.00 0.00 32.46 30.59 2yub n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2yub n GLY 30 N -1.77 2.87 3.45 2.89 0.00 -1.26 -4.89 105.19 106.48 2yub n GLY 30 Ca 0.31 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 2.59 0.13 1.61 -0.12 -1.26 -3.11 117.98 117.82 2yub s PHE 31 Ca 0.00 -0.24 0.03 0.00 -0.05 0.00 0.00 56.93 56.67 2yub s PHE 31 Cb 0.00 -1.53 -0.04 0.00 -0.63 0.00 0.00 43.02 40.82 2yub s PHE 31 CO 0.00 0.20 0.19 -1.12 -0.05 0.00 0.00 175.22 174.44 2yub s SER 32 N -1.10 5.94 0.05 1.98 0.01 -0.60 -5.00 113.70 114.98 2yub s SER 32 Ca 0.13 0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.47 2yub s SER 32 Cb -0.10 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2yub s SER 32 CO 0.03 0.09 -0.09 0.68 0.41 0.00 0.00 173.24 174.36 2yub s VAL 33 N -1.67 0.66 -0.14 3.43 -7.23 -1.26 -1.78 120.40 112.41 2yub s VAL 33 Ca 0.33 -1.10 -0.09 0.00 -1.81 0.00 0.00 61.98 59.31 2yub s VAL 33 Cb -0.11 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2yub s VAL 33 CO 0.26 -0.33 0.16 -0.89 -0.31 0.00 0.00 175.10 173.99 2yub s THR 34 N -1.31 5.43 -0.08 5.32 2.01 -0.51 -4.83 115.64 121.68 2yub s THR 34 Ca -0.08 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.23 2yub s THR 34 Cb -0.10 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 2yub s THR 34 CO 0.01 0.54 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.56 2yub s VAL 35 N -0.45 2.25 0.25 3.82 1.01 -1.26 -2.53 120.40 123.49 2yub s VAL 35 Ca 0.13 -0.98 0.12 0.00 0.00 0.00 0.00 61.98 61.25 2yub s VAL 35 Cb -0.12 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2yub s VAL 35 CO 0.02 0.56 -0.19 -1.61 0.00 0.00 0.00 175.10 173.88 2yub s GLU 36 N 0.06 1.69 0.09 2.72 0.41 -0.99 -5.01 118.70 117.68 2yub s GLU 36 Ca -0.10 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 52.80 2yub s GLU 36 Cb -0.15 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 2yub s GLU 36 CO 0.06 0.35 0.00 -1.13 -0.49 0.00 0.00 175.26 174.05 2yub n SER 37 N -0.38 0.64 -2.21 -0.19 3.41 -1.26 0.14 113.62 113.77 2yub n SER 37 Ca -0.07 0.13 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 2yub n SER 37 Cb 0.59 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2yub n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub n ALA 38 N -3.32 -0.79 -3.19 7.33 0.00 -1.26 -4.55 120.51 114.72 2yub n ALA 38 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2yub n ALA 38 Cb 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 2yub n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yub s SER 39 N -1.82 -0.12 0.00 0.00 0.15 -1.26 -5.06 113.70 105.59 2yub s SER 39 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2yub s SER 39 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 2yub s SER 39 CO 0.00 -0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.22 2yub n SER 40 N 4.74 0.00 0.00 5.45 7.64 -1.26 -2.81 113.62 127.38 2yub n SER 40 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2yub n SER 40 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2yub n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2yub n ASN 41 N 2.05 0.00 -4.15 6.43 2.85 -1.26 -5.11 115.26 116.07 2yub n ASN 41 Ca 0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 2yub n ASN 41 Cb 0.00 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 40.87 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2yub s TYR 42 N 0.00 1.56 0.16 1.20 1.13 -1.12 -4.56 117.35 115.71 2yub s TYR 42 Ca 0.00 -0.32 -0.24 0.00 -1.41 0.00 0.00 57.07 55.09 2yub s TYR 42 Cb 0.00 -1.01 -0.15 0.00 -1.10 0.00 0.00 41.96 39.70 2yub s TYR 42 CO 0.00 -0.05 0.47 0.00 -2.51 0.00 0.00 175.55 173.46 2yub n ALA 43 N 2.75 -2.63 0.00 9.51 0.00 -1.25 -4.47 120.51 124.42 2yub n ALA 43 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2yub n ALA 43 Cb 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2yub n ALA 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2yub n THR 44 N 0.08 0.00 -3.52 0.00 5.66 0.12 -4.73 114.28 111.89 2yub n THR 44 Ca 0.15 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.01 2yub n THR 44 Cb 0.20 -0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 68.48 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2yub s THR 45 N -1.55 0.01 -0.01 1.09 2.01 -1.24 -4.89 115.64 111.06 2yub s THR 45 Ca 0.00 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2yub s THR 45 Cb 0.00 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.52 2yub s THR 45 CO 0.00 -0.06 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.16 2yub s VAL 46 N -2.51 0.22 -0.04 3.82 1.01 -1.26 -2.34 120.40 119.30 2yub s VAL 46 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2yub s VAL 46 Cb -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.18 2yub s VAL 46 CO -0.02 0.09 0.06 -1.10 0.00 0.00 0.00 175.10 174.13 2yub s GLN 47 N 0.27 -0.05 -0.50 2.72 -0.21 -1.05 -3.75 119.66 117.08 2yub s GLN 47 Ca -0.02 0.33 -0.26 0.00 0.02 0.00 0.00 55.36 55.42 2yub s GLN 47 Cb -0.05 -0.39 -0.07 0.00 1.00 0.00 0.00 33.01 33.49 2yub s GLN 47 CO -0.01 -0.27 2.42 0.28 -2.12 0.00 0.00 175.29 175.60 2yub n VAL 48 N 4.89 -0.08 0.36 1.09 0.31 -0.51 -1.42 118.33 122.97 2yub n VAL 48 Ca -0.12 -0.77 -0.14 0.00 -0.01 0.00 0.00 64.34 63.29 2yub n VAL 48 Cb 0.50 -2.74 -0.07 0.00 -0.91 0.00 0.00 33.84 30.63 2yub n VAL 48 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2yub h LYS 49 N 19.33 -0.87 -4.20 5.55 3.64 -1.67 -3.19 116.57 135.16 2yub h LYS 49 Ca -0.24 0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.06 2yub h LYS 49 Cb 1.27 0.20 -0.17 0.00 -0.41 0.00 0.00 32.23 33.12 2yub h LYS 49 CO 1.16 -0.58 -0.69 -1.21 -2.27 0.00 0.00 179.45 175.86 2yub s GLU 50 N -4.97 0.54 -0.06 1.90 0.41 -1.16 -4.72 118.70 110.64 2yub s GLU 50 Ca -0.13 -1.04 -0.00 0.00 -0.41 0.00 0.00 54.97 53.38 2yub s GLU 50 Cb 0.01 0.14 0.03 0.00 -1.78 0.00 0.00 34.13 32.53 2yub s GLU 50 CO 0.40 -0.08 -0.02 0.08 -0.49 0.00 0.00 175.26 175.15 2yub s VAL 51 N -3.12 0.44 -0.19 2.63 1.01 -1.26 -1.56 120.40 118.35 2yub s VAL 51 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2yub s VAL 51 Cb 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2yub s VAL 51 CO -0.07 0.24 0.38 0.21 0.00 0.00 0.00 175.10 175.87 2yub s ASN 52 N 1.53 6.46 0.00 3.32 3.84 -1.18 -4.95 114.94 123.95 2yub s ASN 52 Ca -0.02 0.54 0.27 0.00 0.21 0.00 0.00 52.86 53.86 2yub s ASN 52 Cb -0.13 -2.23 0.86 0.00 -0.55 0.00 0.00 41.25 39.20 2yub s ASN 52 CO -0.03 -0.04 1.66 0.54 -2.79 0.00 0.00 177.10 176.44 2yub n ARG 53 N 4.23 0.00 0.19 0.43 1.74 -1.26 -3.15 116.66 118.84 2yub n ARG 53 Ca -0.09 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.10 2yub n ARG 53 Cb 0.51 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.04 5.56 2.86 -1.96 -3.34 114.93 118.08 2yub h MET 54 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 2yub h MET 54 Cb 0.50 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 2yub h MET 54 CO 0.00 0.06 -2.16 0.72 1.06 0.00 0.00 176.91 176.59 2yub n HIS 55 N -3.05 0.56 -2.45 -0.22 8.25 -1.22 -4.85 115.22 112.23 2yub n HIS 55 Ca 0.03 0.15 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 2yub n HIS 55 Cb 0.56 -1.07 -0.02 0.00 1.12 0.00 0.00 29.99 30.58 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 -2.51 4.05 0.98 1.59 1.01 -1.19 -4.99 121.20 120.14 2yub s ILE 56 Ca -0.31 1.08 -0.15 0.00 0.00 0.00 0.00 60.65 61.28 2yub s ILE 56 Cb 0.09 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2yub s ILE 56 CO 0.63 -0.82 -0.02 -1.54 0.00 0.00 0.00 174.94 173.19 2yub n SER 57 N 8.31 -3.29 -4.06 3.58 3.41 -1.26 -4.72 113.62 115.60 2yub n SER 57 Ca 0.15 0.25 -0.36 0.00 -0.26 0.00 0.00 58.87 58.64 2yub n SER 57 Cb 0.48 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.33 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2yub n PRO 58 N -0.39 1.49 0.00 4.33 -0.04 -1.26 -3.12 135.00 136.01 2yub n PRO 58 Ca 0.04 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 2yub n PRO 58 Cb 0.55 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 10.73 0.00 -1.43 3.54 2.85 -1.26 -4.93 115.26 124.77 2yub n ASN 59 Ca 0.47 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 55.04 2yub n ASN 59 Cb 0.43 0.06 0.33 0.00 1.24 0.00 0.00 39.78 41.85 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2yub n ASN 60 N -1.32 4.40 -0.28 1.20 5.03 -1.18 -4.24 115.26 118.86 2yub n ASN 60 Ca 0.00 -2.33 0.15 0.00 0.87 0.00 0.00 54.58 53.27 2yub n ASN 60 Cb 0.00 -0.53 0.67 0.00 -1.02 0.00 0.00 39.78 38.90 2yub n ASN 60 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2yub n ARG 61 N 1.13 1.33 0.00 3.52 1.74 -1.25 -3.39 116.66 119.74 2yub n ARG 61 Ca 0.24 -0.56 0.03 0.00 -0.77 0.00 0.00 57.85 56.79 2yub n ARG 61 Cb 0.79 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 2yub n ARG 61 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2yub n ASN 62 N -0.34 0.43 -0.03 0.55 3.02 -1.26 -4.57 115.26 113.06 2yub n ASN 62 Ca 0.20 -0.71 -0.02 0.00 -0.03 0.00 0.00 54.58 54.02 2yub n ASN 62 Cb 0.27 0.89 -0.13 0.00 -0.61 0.00 0.00 39.78 40.19 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yub n ALA 63 N -0.98 1.94 -2.50 5.41 0.00 -1.22 -4.97 120.51 118.19 2yub n ALA 63 Ca 0.01 -0.85 -0.24 0.00 0.00 0.00 0.00 53.44 52.36 2yub n ALA 63 Cb 0.10 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.88 2.14 0.00 0.00 2.07 -1.22 -4.90 121.20 116.41 2yub s ILE 64 Ca -0.07 -2.22 0.00 0.00 -1.41 0.00 0.00 60.65 56.95 2yub s ILE 64 Cb 0.09 -2.52 0.00 0.00 0.13 0.00 0.00 42.46 40.16 2yub s ILE 64 CO 0.84 -0.27 0.00 1.41 -1.91 0.00 0.00 174.94 175.01 2yub n HIS 65 N -0.70 0.00 -2.25 3.50 8.25 -1.26 -4.83 115.22 117.93 2yub n HIS 65 Ca -0.05 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.01 2yub n HIS 65 Cb 0.63 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 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 4.34 0.00 -0.41 0.04 -1.26 -3.51 135.00 132.20 2yub s PRO 66 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2yub s PRO 66 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2yub s PRO 66 CO 0.00 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2yub n GLY 67 N 0.86 0.52 4.01 0.56 0.00 -1.20 -5.08 105.19 104.86 2yub n GLY 67 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2yub n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2yub s ASP 68 N -2.38 5.45 -0.13 1.61 1.47 -1.23 -4.95 116.67 116.51 2yub s ASP 68 Ca 0.00 -0.51 -0.02 0.00 1.18 0.00 0.00 52.55 53.20 2yub s ASP 68 Cb 0.00 -0.39 0.04 0.00 -0.34 0.00 0.00 42.92 42.23 2yub s ASP 68 CO 0.00 -0.97 0.02 0.00 0.68 0.00 0.00 175.17 174.89 2yub s ARG 69 N -4.48 0.65 0.28 2.11 1.70 -1.26 -1.43 118.95 116.52 2yub s ARG 69 Ca 0.57 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 55.40 2yub s ARG 69 Cb -0.09 -1.52 -0.10 0.00 -0.57 0.00 0.00 34.95 32.67 2yub s ARG 69 CO 0.35 -0.46 1.30 0.42 -1.08 0.00 0.00 175.30 175.83 2yub s ILE 70 N 1.92 2.91 -0.22 4.99 1.01 -1.25 -4.02 121.20 126.54 2yub s ILE 70 Ca 0.02 0.85 0.12 0.00 0.00 0.00 0.00 60.65 61.64 2yub s ILE 70 Cb -0.14 -3.54 -0.22 0.00 0.01 0.00 0.00 42.46 38.56 2yub s ILE 70 CO -0.07 0.18 -0.04 0.18 0.00 0.00 0.00 174.94 175.19 2yub n LEU 71 N 1.46 1.12 -3.77 2.97 4.77 -1.21 -4.62 117.00 117.73 2yub n LEU 71 Ca 0.02 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 2yub n LEU 71 Cb 0.42 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2yub n LEU 71 CO 0.58 0.66 0.01 -1.61 -1.33 0.00 0.00 177.39 175.70 2yub s GLU 72 N -2.50 0.73 -0.08 3.23 2.02 -1.26 -3.18 118.70 117.66 2yub s GLU 72 Ca -0.19 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2yub s GLU 72 Cb 0.07 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.64 2yub s GLU 72 CO 0.73 -0.22 -0.08 0.42 0.02 0.00 0.00 175.26 176.13 2yub s ILE 73 N -2.02 0.94 0.00 -1.63 1.01 -0.89 -3.01 121.20 115.60 2yub s ILE 73 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2yub s ILE 73 Cb -0.03 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2yub s ILE 73 CO -0.00 0.33 0.00 0.59 0.00 0.00 0.00 174.94 175.86 2yub n ASN 74 N 4.38 -2.66 -0.04 3.58 3.02 -0.37 -2.44 115.26 120.72 2yub n ASN 74 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2yub n ASN 74 Cb 0.51 -2.00 0.00 0.00 -0.61 0.00 0.00 39.78 37.68 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yub n GLY 75 N -1.19 1.28 2.92 7.41 0.00 -1.26 -4.90 105.19 109.46 2yub n GLY 75 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.08 0.08 0.03 2.61 -4.23 -1.02 -5.13 115.64 105.89 2yub s THR 76 Ca 0.00 -0.42 -0.30 0.00 -1.18 0.00 0.00 61.69 59.79 2yub s THR 76 Cb 0.00 -0.14 -0.06 0.00 1.34 0.00 0.00 72.50 73.64 2yub s THR 76 CO 0.00 -0.21 1.43 -2.16 -0.54 0.00 0.00 174.62 173.13 2yub s PRO 77 N -0.65 4.28 0.29 3.99 0.04 -1.26 -2.11 135.00 139.58 2yub s PRO 77 Ca -0.07 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.25 2yub s PRO 77 Cb -0.05 -3.52 0.69 0.00 0.04 0.00 0.00 34.50 31.66 2yub s PRO 77 CO -0.00 -0.57 1.73 -0.39 0.04 0.00 0.00 177.00 177.80 2yub h VAL 78 N 4.80 0.00 0.00 -0.36 -1.51 -1.90 -2.19 116.25 115.09 2yub h VAL 78 Ca -0.39 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 2yub h VAL 78 Cb 1.19 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 2yub h VAL 78 CO 0.90 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 175.13 2yub n ARG 79 N -2.54 0.05 -0.01 5.19 1.85 -1.26 -3.57 116.66 116.37 2yub n ARG 79 Ca 0.05 0.17 -0.01 0.00 -1.00 0.00 0.00 57.85 57.06 2yub n ARG 79 Cb 0.45 -1.57 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2yub n THR 80 N -1.66 0.10 -1.88 8.89 -2.24 -1.17 -4.88 114.28 111.45 2yub n THR 80 Ca 0.05 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2yub n THR 80 Cb 0.27 -0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 67.60 2yub n THR 80 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2yub s LEU 81 N -4.30 4.35 0.52 3.22 1.43 -0.83 -4.93 118.68 118.14 2yub s LEU 81 Ca -0.01 2.90 -0.21 0.00 -1.03 0.00 0.00 54.13 55.78 2yub s LEU 81 Cb 0.00 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2yub s LEU 81 CO 0.06 -0.80 1.17 -0.13 0.23 0.00 0.00 176.35 176.88 2yub s ARG 82 N -1.31 3.45 0.31 1.70 1.81 -1.26 -3.89 118.95 119.76 2yub s ARG 82 Ca 0.56 1.76 0.03 0.00 -1.72 0.00 0.00 55.73 56.36 2yub s ARG 82 Cb -0.45 -2.18 0.79 0.00 -0.45 0.00 0.00 34.95 32.66 2yub s ARG 82 CO 0.54 -0.81 1.57 0.28 -0.68 0.00 0.00 175.30 176.20 2yub h VAL 83 N 1.45 0.00 -0.98 3.52 2.07 -1.90 1.24 116.25 121.65 2yub h VAL 83 Ca -0.50 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2yub h VAL 83 Cb 1.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2yub h VAL 83 CO 0.58 0.00 0.65 1.05 0.02 0.00 0.00 177.57 179.87 2yub h GLU 84 N 0.00 1.26 -0.04 1.57 4.11 -1.94 0.17 114.58 119.71 2yub h GLU 84 Ca 0.62 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.96 2yub h GLU 84 Cb 1.29 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2yub h GLU 84 CO -0.93 0.83 -0.02 0.93 0.07 0.00 0.00 179.01 179.90 2yub h GLU 85 N 1.30 0.08 -0.64 1.06 4.39 0.11 0.46 114.58 121.35 2yub h GLU 85 Ca 0.37 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 2yub h GLU 85 Cb -0.09 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2yub h GLU 85 CO -0.10 0.46 0.29 0.28 -1.16 0.00 0.00 179.01 178.78 2yub h VAL 86 N -0.29 1.21 0.10 3.13 2.07 -0.74 -1.22 116.25 120.51 2yub h VAL 86 Ca 0.01 -0.63 -0.29 0.00 0.82 0.00 0.00 66.70 66.61 2yub h VAL 86 Cb 0.43 0.42 0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2yub h VAL 86 CO 0.01 0.26 -1.21 -0.33 0.02 0.00 0.00 177.57 176.31 2yub h GLU 87 N 0.91 0.59 0.09 1.57 5.08 -0.63 -3.33 114.58 118.85 2yub h GLU 87 Ca 0.22 -0.77 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2yub h GLU 87 Cb 0.13 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2yub h GLU 87 CO -0.03 1.34 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.85 2yub h ASP 88 N 0.27 -0.10 -1.44 1.42 3.32 0.19 -2.36 116.42 117.71 2yub h ASP 88 Ca -0.17 -0.01 0.47 0.00 0.02 0.00 0.00 57.03 57.34 2yub h ASP 88 Cb 1.88 0.03 -0.12 0.00 0.22 0.00 0.00 39.33 41.34 2yub h ASP 88 CO 0.23 -0.06 0.95 0.00 -1.72 0.00 0.00 179.24 178.65 2yub h ALA 89 N 0.78 2.96 0.04 3.45 0.00 -1.34 1.22 119.26 126.38 2yub h ALA 89 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2yub h ALA 89 Cb 0.10 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2yub h ALA 89 CO 0.02 -1.59 -0.02 0.82 0.00 0.00 0.00 179.25 178.48 2yub h ILE 90 N 0.05 1.35 0.00 0.00 1.08 -1.57 -3.20 117.51 115.22 2yub h ILE 90 Ca 0.85 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2yub h ILE 90 Cb 2.84 2.37 0.00 0.00 -3.07 0.00 0.00 36.82 38.96 2yub h ILE 90 CO -0.36 0.39 0.00 2.29 -0.69 0.00 0.00 178.15 179.78 2yub n LYS 91 N -4.77 0.98 -1.23 2.37 2.85 0.10 -4.28 118.16 114.18 2yub n LYS 91 Ca -0.08 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.93 2yub n LYS 91 Cb 0.33 -1.24 -0.10 0.00 -0.65 0.00 0.00 35.03 33.37 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 -0.74 2.80 -1.89 -1.58 6.02 0.38 -4.83 117.38 117.54 2yub n GLN 92 Ca 0.11 -1.72 -0.40 0.00 -0.01 0.00 0.00 57.00 54.98 2yub n GLN 92 Cb 0.05 -2.33 -0.03 0.00 1.02 0.00 0.00 30.24 28.96 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 2.63 2.88 0.00 5.09 -2.24 -1.26 -3.94 114.28 117.44 2yub n THR 93 Ca 0.57 -2.76 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 2yub n THR 93 Cb 0.60 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 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 8.78 0.00 -2.13 3.42 7.64 -1.26 -4.01 113.62 126.06 2yub n SER 94 Ca 0.49 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.33 2yub n SER 94 Cb 0.43 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.95 1.38 -1.82 1.43 6.02 -1.25 -4.55 117.38 116.65 2yub n GLN 95 Ca 0.00 -0.54 -0.42 0.00 -0.01 0.00 0.00 57.00 56.03 2yub n GLN 95 Cb 0.00 0.21 -0.03 0.00 1.02 0.00 0.00 30.24 31.44 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 -1.50 2.29 -0.31 5.09 2.01 -1.26 -1.82 115.64 120.13 2yub s THR 96 Ca 0.01 0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 2yub s THR 96 Cb 0.00 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.44 2yub s THR 96 CO 0.01 0.02 0.03 -0.22 -0.69 0.00 0.00 174.62 173.76 2yub s LEU 97 N 1.20 4.05 0.14 4.42 2.96 0.46 -4.90 118.68 127.01 2yub s LEU 97 Ca 0.73 -1.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.17 2yub s LEU 97 Cb -0.47 -1.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.41 2yub s LEU 97 CO 0.32 -0.29 0.55 -1.58 -1.32 0.00 0.00 176.35 174.02 2yub s GLN 98 N 1.26 3.99 0.04 1.98 0.74 -1.26 -3.46 119.66 122.95 2yub s GLN 98 Ca -0.04 0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.89 2yub s GLN 98 Cb -0.20 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 2yub s GLN 98 CO -0.01 0.49 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.65 2yub s LEU 99 N -1.90 2.26 -0.01 3.68 1.43 -0.75 -1.23 118.68 122.16 2yub s LEU 99 Ca 0.37 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 2yub s LEU 99 Cb -0.15 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.98 2yub s LEU 99 CO 0.19 -0.25 -0.20 -0.22 0.23 0.00 0.00 176.35 176.11 2yub s LEU 100 N -1.61 2.05 -0.02 1.79 2.96 -1.16 -1.62 118.68 121.07 2yub s LEU 100 Ca -0.11 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 2yub s LEU 100 Cb -0.09 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 2yub s LEU 100 CO -0.00 0.23 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.40 2yub s ILE 101 N -0.49 1.78 -0.19 6.68 -1.09 -0.11 -3.35 121.20 124.43 2yub s ILE 101 Ca 0.07 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.50 2yub s ILE 101 Cb -0.08 -1.48 -0.02 0.00 -1.58 0.00 0.00 42.46 39.30 2yub s ILE 101 CO -0.01 0.50 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.47 2yub s GLU 102 N -0.50 3.55 0.02 2.79 2.12 -1.26 -1.61 118.70 123.81 2yub s GLU 102 Ca 0.08 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 2yub s GLU 102 Cb -0.09 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2yub s GLU 102 CO -0.01 0.04 0.15 -1.58 -0.54 0.00 0.00 175.26 173.32 2yub s HIS 103 N 0.88 3.43 0.02 5.30 5.65 -1.23 -4.75 115.29 124.59 2yub s HIS 103 Ca -0.00 0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.58 2yub s HIS 103 Cb -0.15 -1.77 -0.02 0.00 -1.18 0.00 0.00 32.58 29.47 2yub s HIS 103 CO 0.01 0.60 -0.05 -0.51 -0.65 0.00 0.00 174.74 174.14 2yub s ASP 104 N -2.04 0.53 0.07 9.88 1.11 -1.26 -4.45 116.67 120.52 2yub s ASP 104 Ca 0.28 -0.39 -0.17 0.00 0.18 0.00 0.00 52.55 52.45 2yub s ASP 104 Cb -0.12 0.03 -0.11 0.00 1.07 0.00 0.00 42.92 43.79 2yub s ASP 104 CO 0.19 -0.16 1.39 1.55 1.18 0.00 0.00 175.17 179.32 2yub h PRO 105 N 5.02 0.54 -6.31 8.23 0.13 -1.96 -3.44 132.00 134.21 2yub h PRO 105 Ca -0.32 -0.29 -0.56 0.00 -0.87 0.00 0.00 66.00 63.97 2yub h PRO 105 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2yub h PRO 105 CO 0.44 0.87 -0.03 0.08 -0.23 0.00 0.00 178.00 179.13 2yub s VAL 106 N -4.34 4.74 -0.09 1.56 1.01 -1.26 -5.03 120.40 116.98 2yub s VAL 106 Ca -0.13 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 2yub s VAL 106 Cb 0.07 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2yub s VAL 106 CO 0.79 0.42 1.52 -2.16 0.00 0.00 0.00 175.10 175.68 2yub s PRO 107 N -1.46 4.19 -0.38 2.72 0.04 -1.26 -4.90 135.00 133.95 2yub s PRO 107 Ca 0.33 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.45 2yub s PRO 107 Cb -0.18 -3.91 0.71 0.00 0.04 0.00 0.00 34.50 31.16 2yub s PRO 107 CO 0.19 -0.81 1.86 1.04 0.04 0.00 0.00 177.00 179.32 2yub n GLN 108 N 6.97 3.02 -0.08 4.56 6.02 -1.26 -4.11 117.38 132.50 2yub n GLN 108 Ca 0.16 -3.06 0.03 0.00 -0.01 0.00 0.00 57.00 54.12 2yub n GLN 108 Cb 0.43 -2.20 0.04 0.00 1.02 0.00 0.00 30.24 29.54 2yub n GLN 108 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2yub n ARG 109 N -0.63 1.57 -1.21 -1.09 1.74 -1.26 -5.13 116.66 110.65 2yub n ARG 109 Ca 0.50 -1.56 0.15 0.00 -0.77 0.00 0.00 57.85 56.18 2yub n ARG 109 Cb 1.52 -0.98 -0.05 0.00 -1.02 0.00 0.00 32.46 31.93 2yub n ARG 109 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2yub n LEU 110 N -0.61 -0.63 -3.62 0.55 4.77 -1.26 -4.58 117.00 111.62 2yub n LEU 110 Ca 0.05 1.42 -0.29 0.00 -0.03 0.00 0.00 56.01 57.15 2yub n LEU 110 Cb 0.46 -3.83 -0.08 0.00 -2.33 0.00 0.00 43.42 37.64 2yub n LEU 110 CO 0.00 -2.84 0.15 -0.90 -1.33 0.00 0.00 177.39 172.47 2yub n ASP 111 N -4.32 3.82 -4.97 -1.43 5.68 -1.26 -5.07 116.55 109.00 2yub n ASP 111 Ca -0.01 -3.37 -0.21 0.00 -0.50 0.00 0.00 54.79 50.70 2yub n ASP 111 Cb 0.64 -0.76 0.01 0.00 -1.14 0.00 0.00 41.12 39.87 2yub n ASP 111 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2yub s GLN 112 N -2.21 3.07 -0.15 0.11 1.11 -1.26 -5.11 119.66 115.22 2yub s GLN 112 Ca 0.35 -0.75 -0.02 0.00 0.01 0.00 0.00 55.36 54.96 2yub s GLN 112 Cb 0.08 -2.68 0.04 0.00 -1.01 0.00 0.00 33.01 29.45 2yub s GLN 112 CO -0.05 -0.13 -0.00 -1.12 0.01 0.00 0.00 175.29 174.00 2yub s SER 113 N -4.21 2.46 -0.41 5.90 0.01 -1.26 -5.02 113.70 111.18 2yub s SER 113 Ca 0.47 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 57.24 2yub s SER 113 Cb -0.10 -0.65 0.44 0.00 0.21 0.00 0.00 66.02 65.92 2yub s SER 113 CO 0.35 -0.23 1.29 0.61 0.41 0.00 0.00 173.24 175.67 2yub n GLY 114 N 5.02 6.18 3.04 3.44 0.00 -1.26 -4.95 105.19 116.67 2yub n GLY 114 Ca -0.09 -2.66 -0.39 0.00 0.00 0.00 0.00 46.02 42.88 2yub n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yub n PRO 115 N -0.64 1.47 -3.61 1.61 -0.04 -1.26 -4.74 135.00 127.78 2yub n PRO 115 Ca 0.45 -1.71 0.02 0.00 -0.04 0.00 0.00 63.50 62.22 2yub n PRO 115 Cb 0.80 -2.80 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2yub n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yub s SER 116 N 4.87 -0.05 0.44 3.54 0.01 -1.26 -5.16 113.70 116.09 2yub s SER 116 Ca 0.54 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2yub s SER 116 Cb 0.14 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2yub s SER 116 CO 0.11 -0.26 0.00 -0.24 0.41 0.00 0.00 173.24 173.26 2yub n SER 117 N -0.50 -6.79 0.00 2.44 2.88 -1.26 -5.27 113.62 105.13 2yub n SER 117 Ca -0.09 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2yub n SER 117 Cb 0.63 -4.22 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42