#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 -2.76 -2.69 1.61 2.88 -1.26 -4.97 113.62 106.44 2yub n SER 2 Ca 0.00 0.57 -0.07 0.00 -1.33 0.00 0.00 58.87 58.04 2yub n SER 2 Cb 0.00 -1.32 0.09 0.00 -0.75 0.00 0.00 64.21 62.23 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 -2.27 -0.66 -3.65 -3.46 7.64 -1.26 -5.13 113.62 104.83 2yub n SER 3 Ca -0.01 -2.51 -0.01 0.00 1.01 0.00 0.00 58.87 57.35 2yub n SER 3 Cb 0.19 0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 2yub n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yub s GLY 4 N -1.92 -0.35 1.05 0.23 0.00 -1.26 -5.16 107.32 99.91 2yub s GLY 4 Ca 0.23 0.68 -0.17 0.00 0.00 0.00 0.00 44.72 45.45 2yub s GLY 4 CO -0.05 0.16 -0.06 -1.26 0.00 0.00 0.00 173.10 171.89 2yub n SER 5 N -0.41 -2.58 -3.75 1.64 2.88 -1.26 -5.02 113.62 105.12 2yub n SER 5 Ca -0.07 0.05 -0.16 0.00 -1.33 0.00 0.00 58.87 57.36 2yub n SER 5 Cb 0.62 -0.98 -0.16 0.00 -0.75 0.00 0.00 64.21 62.93 2yub n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yub s SER 6 N -1.77 0.33 0.03 -3.46 0.15 -1.26 -5.12 113.70 102.62 2yub s SER 6 Ca 0.53 0.05 -0.37 0.00 0.70 0.00 0.00 55.95 56.86 2yub s SER 6 Cb -0.13 -0.08 -0.17 0.00 -1.71 0.00 0.00 66.02 63.93 2yub s SER 6 CO 0.68 -0.16 1.40 0.61 1.20 0.00 0.00 173.24 176.96 2yub n GLY 7 N 4.47 0.52 3.53 9.45 0.00 -1.26 -4.97 105.19 116.93 2yub n GLY 7 Ca -0.22 0.73 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 2yub n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yub s VAL 8 N 0.92 2.45 -1.41 1.61 -7.23 -1.26 -4.70 120.40 110.77 2yub s VAL 8 Ca 0.86 -2.25 -0.09 0.00 -1.81 0.00 0.00 61.98 58.69 2yub s VAL 8 Cb -0.97 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 33.50 2yub s VAL 8 CO 0.49 -0.30 0.63 1.67 -0.31 0.00 0.00 175.10 177.29 2yub n GLN 9 N -0.74 -4.30 -0.09 4.82 -0.06 -1.26 -4.83 117.38 110.92 2yub n GLN 9 Ca -0.05 0.63 0.02 0.00 -2.00 0.00 0.00 57.00 55.60 2yub n GLN 9 Cb 0.62 -5.42 0.03 0.00 -4.06 0.00 0.00 30.24 21.41 2yub n GLN 9 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2yub n ASP 10 N -2.47 1.32 -4.54 1.69 5.68 -1.26 -5.07 116.55 111.91 2yub n ASP 10 Ca -0.03 -2.02 -0.25 0.00 -0.50 0.00 0.00 54.79 51.99 2yub n ASP 10 Cb 0.56 -0.13 -0.11 0.00 -1.14 0.00 0.00 41.12 40.31 2yub n ASP 10 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2yub s GLN 11 N -1.06 1.80 0.01 0.11 -1.52 -1.26 -5.16 119.66 112.58 2yub s GLN 11 Ca 0.07 -1.98 0.00 0.00 -1.95 0.00 0.00 55.36 51.50 2yub s GLN 11 Cb 0.07 -1.40 -0.01 0.00 -0.22 0.00 0.00 33.01 31.44 2yub s GLN 11 CO 0.01 -0.03 -0.02 -0.51 -0.25 0.00 0.00 175.29 174.49 2yub s LEU 12 N -3.60 2.15 0.31 2.90 1.43 -1.26 -5.14 118.68 115.47 2yub s LEU 12 Ca 0.34 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 2yub s LEU 12 Cb 0.07 0.06 -0.10 0.00 0.03 0.00 0.00 46.19 46.25 2yub s LEU 12 CO 0.16 -0.19 1.23 -2.16 0.23 0.00 0.00 176.35 175.62 2yub s PRO 13 N -0.94 4.46 0.00 1.29 0.04 -1.26 -5.01 135.00 133.58 2yub s PRO 13 Ca -0.10 2.06 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2yub s PRO 13 Cb -0.06 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2yub s PRO 13 CO -0.01 -0.04 0.00 2.48 0.04 0.00 0.00 177.00 179.48 2yub n TYR 14 N 1.01 0.00 -4.25 0.56 0.18 -1.26 -4.94 117.16 108.46 2yub n TYR 14 Ca -0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 2yub n TYR 14 Cb 0.43 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.29 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 -2.49 1.25 -0.03 9.48 0.01 -1.26 -5.08 113.70 115.58 2yub s SER 15 Ca 0.00 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.11 2yub s SER 15 Cb 0.00 0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 2yub s SER 15 CO 0.00 -0.57 -0.13 -0.69 0.41 0.00 0.00 173.24 172.25 2yub s VAL 16 N -3.65 1.13 -0.13 3.43 1.01 -1.26 -2.80 120.40 118.12 2yub s VAL 16 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2yub s VAL 16 Cb 0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2yub s VAL 16 CO 0.05 0.33 0.00 -0.89 0.00 0.00 0.00 175.10 174.59 2yub s THR 17 N 0.09 4.31 -0.04 3.92 2.01 0.44 -4.96 115.64 121.40 2yub s THR 17 Ca -0.03 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2yub s THR 17 Cb -0.10 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.56 2yub s THR 17 CO 0.01 0.54 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.19 2yub s LEU 18 N -0.23 1.54 0.07 4.42 2.96 -1.26 -0.51 118.68 125.67 2yub s LEU 18 Ca 0.06 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2yub s LEU 18 Cb -0.12 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2yub s LEU 18 CO 0.02 0.00 -0.19 0.27 -1.32 0.00 0.00 176.35 175.13 2yub s ILE 19 N 0.65 1.51 -0.30 6.68 -0.00 -0.56 -5.00 121.20 124.18 2yub s ILE 19 Ca -0.10 -1.31 -0.03 0.00 -0.00 0.00 0.00 60.65 59.21 2yub s ILE 19 Cb -0.13 -1.36 0.10 0.00 -0.00 0.00 0.00 42.46 41.07 2yub s ILE 19 CO 0.01 0.01 0.14 -0.55 -0.00 0.00 0.00 174.94 174.55 2yub s SER 20 N -1.52 3.54 0.09 4.36 0.15 -1.26 -1.79 113.70 117.27 2yub s SER 20 Ca 0.05 -1.45 0.08 0.00 0.70 0.00 0.00 55.95 55.33 2yub s SER 20 Cb -0.09 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 2yub s SER 20 CO 0.03 -0.42 -0.15 -0.04 1.20 0.00 0.00 173.24 173.85 2yub s MET 21 N 1.91 1.99 1.00 5.44 -1.94 -1.14 -4.94 119.30 121.61 2yub s MET 21 Ca 0.10 -1.06 -0.12 0.00 -1.71 0.00 0.00 55.69 52.89 2yub s MET 21 Cb -0.17 -2.20 0.19 0.00 2.01 0.00 0.00 34.83 34.66 2yub s MET 21 CO -0.31 0.51 1.09 -1.25 -0.01 0.00 0.00 175.02 175.05 2yub s PRO 22 N -1.94 0.42 0.43 2.03 0.04 -1.26 0.55 135.00 135.27 2yub s PRO 22 Ca 0.18 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 2yub s PRO 22 Cb -0.11 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.80 2yub s PRO 22 CO 0.10 -2.74 0.46 0.00 0.04 0.00 0.00 177.00 174.86 2yub n ALA 23 N -4.18 -0.99 -2.87 8.56 0.00 -0.83 -4.59 120.51 115.61 2yub n ALA 23 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 2yub n ALA 23 Cb 0.57 -0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.92 0.32 0.02 0.00 -4.23 -1.26 -4.96 115.64 103.61 2yub s THR 24 Ca 0.28 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2yub s THR 24 Cb -0.02 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 2yub s THR 24 CO 0.21 0.10 1.10 0.74 -0.54 0.00 0.00 174.62 176.22 2yub h THR 25 N 5.16 0.00 -3.99 3.99 2.02 -1.95 -3.42 112.91 114.72 2yub h THR 25 Ca -0.29 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.35 2yub h THR 25 Cb 1.19 0.00 0.12 0.00 -1.74 0.00 0.00 68.15 67.72 2yub h THR 25 CO 0.50 0.00 0.70 -1.61 0.37 0.00 0.00 175.52 175.48 2yub s GLU 26 N -3.48 3.71 -0.91 6.66 8.01 -1.26 -4.83 118.70 126.59 2yub s GLU 26 Ca -0.03 2.41 -0.17 0.00 0.01 0.00 0.00 54.97 57.19 2yub s GLU 26 Cb 0.01 -2.67 -0.11 0.00 -4.31 0.00 0.00 34.13 27.05 2yub s GLU 26 CO 0.10 -0.80 2.03 0.00 0.01 0.00 0.00 175.26 176.61 2yub s ARG 28 N 4.36 0.53 0.42 0.00 0.52 -1.26 -5.14 118.95 118.38 2yub s ARG 28 Ca 0.53 0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 56.41 2yub s ARG 28 Cb 0.14 0.39 -0.08 0.00 0.52 0.00 0.00 34.95 35.91 2yub s ARG 28 CO 0.05 -0.63 1.25 -0.98 0.02 0.00 0.00 175.30 175.02 2yub s ARG 29 N 2.81 3.89 0.00 3.54 3.03 -1.26 -4.89 118.95 126.07 2yub s ARG 29 Ca 0.20 2.02 0.11 0.00 2.03 0.00 0.00 55.73 60.09 2yub s ARG 29 Cb -0.15 -2.65 0.46 0.00 -1.03 0.00 0.00 34.95 31.58 2yub s ARG 29 CO -0.20 -0.51 1.33 0.41 -1.13 0.00 0.00 175.30 175.19 2yub n GLY 30 N 0.64 -0.84 3.14 3.88 0.00 -1.26 -4.58 105.19 106.16 2yub n GLY 30 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.96 -0.45 0.25 1.61 -0.71 -1.26 -1.25 117.98 113.21 2yub s PHE 31 Ca 0.06 1.00 -0.06 0.00 -1.04 0.00 0.00 56.93 56.89 2yub s PHE 31 Cb 0.07 0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.95 2yub s PHE 31 CO 0.19 -0.29 0.52 -1.12 -1.34 0.00 0.00 175.22 173.18 2yub s SER 32 N 1.39 6.49 0.48 1.98 0.01 -0.46 -4.96 113.70 118.65 2yub s SER 32 Ca -0.09 0.73 0.02 0.00 1.31 0.00 0.00 55.95 57.92 2yub s SER 32 Cb -0.10 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 2yub s SER 32 CO -0.10 -0.12 0.03 0.68 0.41 0.00 0.00 173.24 174.14 2yub s VAL 33 N -1.94 1.11 -0.05 3.43 -7.23 -1.26 -1.24 120.40 113.22 2yub s VAL 33 Ca 0.44 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 2yub s VAL 33 Cb -0.11 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.59 2yub s VAL 33 CO 0.27 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.08 2yub s THR 34 N -2.93 0.82 -0.18 5.32 2.01 0.15 -4.51 115.64 116.33 2yub s THR 34 Ca 0.11 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 2yub s THR 34 Cb 0.02 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 2yub s THR 34 CO 0.06 0.28 0.02 -0.69 -0.69 0.00 0.00 174.62 173.60 2yub s VAL 35 N 0.65 4.35 -0.25 3.82 1.01 -1.26 -2.44 120.40 126.28 2yub s VAL 35 Ca -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2yub s VAL 35 Cb -0.14 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.37 2yub s VAL 35 CO 0.02 0.46 0.03 -1.61 0.00 0.00 0.00 175.10 173.99 2yub s GLU 36 N 0.53 1.01 -0.32 2.72 0.41 -0.95 -5.06 118.70 117.04 2yub s GLU 36 Ca 0.01 -0.87 -0.02 0.00 -0.41 0.00 0.00 54.97 53.68 2yub s GLU 36 Cb -0.13 -2.28 0.06 0.00 -1.78 0.00 0.00 34.13 30.00 2yub s GLU 36 CO 0.02 -0.75 0.04 -1.54 -0.49 0.00 0.00 175.26 172.54 2yub s SER 37 N 1.60 4.96 -0.10 -0.19 1.04 -1.26 -2.08 113.70 117.67 2yub s SER 37 Ca 0.01 -1.47 -0.23 0.00 0.48 0.00 0.00 55.95 54.74 2yub s SER 37 Cb -0.18 -1.73 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 2yub s SER 37 CO -0.13 -0.32 0.68 0.00 0.98 0.00 0.00 173.24 174.45 2yub s ALA 38 N 1.21 3.39 0.49 5.32 0.00 -1.26 -4.77 121.76 126.15 2yub s ALA 38 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2yub s ALA 38 Cb -0.20 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2yub s ALA 38 CO -0.02 -0.20 0.00 0.45 0.00 0.00 0.00 175.76 175.99 2yub n SER 39 N 4.05 -8.70 0.00 0.00 2.88 -1.26 -4.60 113.62 106.00 2yub n SER 39 Ca -0.01 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2yub n SER 39 Cb 0.51 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 2yub n SER 39 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 40 N -4.35 0.00 0.00 -3.46 7.64 -1.26 -4.28 113.62 107.91 2yub n SER 40 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2yub n SER 40 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 3.00 0.00 -4.69 6.43 4.13 -1.26 -5.13 115.26 117.74 2yub n ASN 41 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2yub n ASN 41 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2yub s TYR 42 N 0.00 2.23 0.83 3.10 1.13 -1.26 -4.56 117.35 118.82 2yub s TYR 42 Ca 0.00 0.13 -0.17 0.00 -1.41 0.00 0.00 57.07 55.62 2yub s TYR 42 Cb 0.00 -4.06 -0.14 0.00 -1.10 0.00 0.00 41.96 36.65 2yub s TYR 42 CO 0.00 -4.37 -0.52 0.00 -2.51 0.00 0.00 175.55 168.16 2yub n ALA 43 N 5.80 -4.53 0.00 9.51 0.00 -1.24 -4.57 120.51 125.48 2yub n ALA 43 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2yub n ALA 43 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2yub n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 44 N -2.19 0.00 -4.10 0.00 -2.24 -1.04 -4.49 114.28 100.23 2yub n THR 44 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2yub n THR 44 Cb 0.53 -0.08 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2yub s THR 45 N -1.15 0.57 0.00 4.28 2.01 -0.88 -4.42 115.64 116.04 2yub s THR 45 Ca 0.00 -1.39 -0.02 0.00 0.31 0.00 0.00 61.69 60.59 2yub s THR 45 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 2yub s THR 45 CO 0.00 -0.57 0.03 -0.69 -0.69 0.00 0.00 174.62 172.69 2yub s VAL 46 N -2.23 0.06 0.11 3.82 1.01 -1.26 -2.24 120.40 119.66 2yub s VAL 46 Ca -0.02 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2yub s VAL 46 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 2yub s VAL 46 CO -0.02 -0.28 0.21 0.00 0.00 0.00 0.00 175.10 175.01 2yub s GLN 47 N -0.84 0.93 -0.32 2.72 -2.07 -1.02 -3.23 119.66 115.83 2yub s GLN 47 Ca -0.09 -1.03 -0.20 0.00 -1.82 0.00 0.00 55.36 52.21 2yub s GLN 47 Cb -0.06 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 2yub s GLN 47 CO -0.00 -0.31 0.62 0.08 -1.32 0.00 0.00 175.29 174.36 2yub s VAL 48 N -3.90 4.93 -0.04 3.63 1.01 -0.28 0.34 120.40 126.11 2yub s VAL 48 Ca 0.09 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 2yub s VAL 48 Cb 0.05 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 2yub s VAL 48 CO -0.08 -0.18 0.77 0.50 0.00 0.00 0.00 175.10 176.11 2yub h LYS 49 N 8.27 -0.40 -3.71 2.72 1.63 -1.40 0.11 116.57 123.78 2yub h LYS 49 Ca -0.27 0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.42 2yub h LYS 49 Cb 1.12 0.09 -0.20 0.00 -0.60 0.00 0.00 32.23 32.64 2yub h LYS 49 CO 0.81 -0.11 -0.55 -1.21 -3.45 0.00 0.00 179.45 174.94 2yub s GLU 50 N -3.47 0.48 -0.07 1.90 2.02 -1.07 -4.57 118.70 113.92 2yub s GLU 50 Ca -0.10 -0.57 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 2yub s GLU 50 Cb 0.01 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.45 2yub s GLU 50 CO 0.35 -0.11 -0.03 0.08 0.02 0.00 0.00 175.26 175.58 2yub s VAL 51 N -1.82 0.54 -0.22 2.63 1.01 -1.26 -1.35 120.40 119.93 2yub s VAL 51 Ca -0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2yub s VAL 51 Cb -0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2yub s VAL 51 CO -0.01 0.27 0.18 0.21 0.00 0.00 0.00 175.10 175.74 2yub s ASN 52 N 1.58 6.20 0.23 3.32 3.04 -0.38 -4.95 114.94 123.97 2yub s ASN 52 Ca -0.00 0.21 0.19 0.00 0.04 0.00 0.00 52.86 53.30 2yub s ASN 52 Cb -0.13 -2.11 0.04 0.00 -1.54 0.00 0.00 41.25 37.51 2yub s ASN 52 CO -0.04 0.10 1.18 0.03 -3.04 0.00 0.00 177.10 175.33 2yub h ARG 53 N 7.14 0.00 0.00 0.43 -0.00 -1.95 -2.91 114.38 117.08 2yub h ARG 53 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 2yub h ARG 53 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.13 2yub h ARG 53 CO 0.71 0.19 0.00 -1.33 0.00 0.00 0.00 179.97 179.54 2yub n MET 54 N -2.94 0.84 -0.01 0.04 2.81 -1.26 -0.97 117.12 115.63 2yub n MET 54 Ca -0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.87 2yub n MET 54 Cb 0.67 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.66 2yub n MET 54 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2yub n HIS 55 N -1.07 0.00 -0.02 2.03 -0.00 -1.23 -4.70 115.22 110.23 2yub n HIS 55 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.92 2yub n HIS 55 Cb 0.14 -0.10 -0.13 0.00 -0.00 0.00 0.00 29.99 29.90 2yub n HIS 55 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2yub n ILE 56 N -1.97 1.04 -0.35 3.57 5.41 -1.10 -4.91 119.36 121.04 2yub n ILE 56 Ca -0.03 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.01 2yub n ILE 56 Cb 0.45 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 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 -2.72 -2.00 -3.82 4.38 7.64 -0.14 -4.49 113.62 112.46 2yub n SER 57 Ca -0.16 0.40 -0.40 0.00 1.01 0.00 0.00 58.87 59.72 2yub n SER 57 Cb 0.90 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.65 1.44 0.00 1.43 -0.04 -1.26 -3.43 135.00 131.49 2yub n PRO 58 Ca 0.00 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 2yub n PRO 58 Cb 0.09 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 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 9.04 0.00 -0.23 3.54 3.02 -1.26 -4.92 115.26 124.45 2yub n ASN 59 Ca 0.48 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 55.07 2yub n ASN 59 Cb 0.42 0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yub n ASN 60 N -1.76 1.29 -0.02 6.41 3.02 -1.22 -4.47 115.26 118.52 2yub n ASN 60 Ca 0.00 -1.15 0.15 0.00 -0.03 0.00 0.00 54.58 53.56 2yub n ASN 60 Cb 0.00 0.29 0.81 0.00 -0.61 0.00 0.00 39.78 40.27 2yub n ASN 60 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2yub n ARG 61 N -0.01 0.71 -0.01 3.52 -4.01 -1.25 -3.05 116.66 112.56 2yub n ARG 61 Ca 0.04 -0.05 0.14 0.00 -1.04 0.00 0.00 57.85 56.94 2yub n ARG 61 Cb 0.18 -1.50 0.57 0.00 -3.04 0.00 0.00 32.46 28.67 2yub n ARG 61 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 2yub n ASN 62 N -1.11 1.22 -0.04 2.89 2.04 -1.26 -3.92 115.26 115.09 2yub n ASN 62 Ca 0.18 -1.45 -0.04 0.00 -0.44 0.00 0.00 54.58 52.83 2yub n ASN 62 Cb 0.20 -0.02 -0.04 0.00 -2.53 0.00 0.00 39.78 37.39 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2yub n ALA 63 N -0.03 1.84 -2.83 -2.53 0.00 -1.17 -5.04 120.51 110.74 2yub n ALA 63 Ca 0.19 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 2yub n ALA 63 Cb 0.30 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.16 4.67 0.06 0.00 2.07 -1.24 -4.87 121.20 119.73 2yub s ILE 64 Ca -0.07 -1.21 -0.27 0.00 -1.41 0.00 0.00 60.65 57.69 2yub s ILE 64 Cb 0.02 -3.56 0.08 0.00 0.13 0.00 0.00 42.46 39.12 2yub s ILE 64 CO 0.23 -0.32 0.67 -1.00 -1.91 0.00 0.00 174.94 172.61 2yub s HIS 65 N -2.09 -0.56 -0.08 3.50 3.76 -1.26 -4.85 115.29 113.71 2yub s HIS 65 Ca 0.35 0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 55.59 2yub s HIS 65 Cb -0.08 0.50 -0.04 0.00 1.11 0.00 0.00 32.58 34.06 2yub s HIS 65 CO 0.27 -0.71 1.51 -1.25 -0.85 0.00 0.00 174.74 173.71 2yub s PRO 66 N -2.65 4.21 0.00 8.40 0.04 -1.26 -2.63 135.00 141.11 2yub s PRO 66 Ca -0.03 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2yub s PRO 66 Cb -0.01 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2yub s PRO 66 CO -0.04 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.63 2yub n GLY 67 N 3.93 2.53 3.52 0.56 0.00 0.37 -5.00 105.19 111.09 2yub n GLY 67 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.51 1.13 -0.20 1.61 1.01 -1.08 -4.55 116.67 113.09 2yub s ASP 68 Ca 0.00 1.33 0.01 0.00 0.71 0.00 0.00 52.55 54.61 2yub s ASP 68 Cb 0.00 -2.07 0.03 0.00 1.01 0.00 0.00 42.92 41.89 2yub s ASP 68 CO 0.00 -4.08 -0.18 -0.13 0.21 0.00 0.00 175.17 170.99 2yub s ARG 69 N -4.64 2.84 -0.09 8.23 3.00 -1.26 -1.12 118.95 125.91 2yub s ARG 69 Ca 0.68 -0.93 -0.30 0.00 0.00 0.00 0.00 55.73 55.18 2yub s ARG 69 Cb -0.22 -2.65 -0.02 0.00 0.00 0.00 0.00 34.95 32.06 2yub s ARG 69 CO 0.63 -0.28 1.14 0.42 0.00 0.00 0.00 175.30 177.21 2yub s ILE 70 N 1.26 4.43 -0.07 1.52 1.01 -1.20 -3.96 121.20 124.19 2yub s ILE 70 Ca 0.02 1.73 -0.26 0.00 0.00 0.00 0.00 60.65 62.14 2yub s ILE 70 Cb -0.14 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 2yub s ILE 70 CO -0.11 -0.03 1.03 -0.07 0.00 0.00 0.00 174.94 175.76 2yub h LEU 71 N 8.40 0.10 -7.97 2.97 -0.00 -1.47 -3.42 115.31 113.92 2yub h LEU 71 Ca -0.31 -0.75 -0.11 0.00 -0.00 0.00 0.00 57.88 56.71 2yub h LEU 71 Cb 1.14 -0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 41.62 2yub h LEU 71 CO 0.89 0.84 -0.52 -1.61 -0.00 0.00 0.00 178.44 178.03 2yub s GLU 72 N -3.23 0.67 -0.23 1.13 8.01 -1.26 -3.53 118.70 120.28 2yub s GLU 72 Ca -0.17 -0.95 0.02 0.00 0.01 0.00 0.00 54.97 53.88 2yub s GLU 72 Cb 0.00 0.26 0.05 0.00 -4.31 0.00 0.00 34.13 30.13 2yub s GLU 72 CO 0.71 -0.17 -0.13 0.42 0.01 0.00 0.00 175.26 176.09 2yub s ILE 73 N -3.37 2.03 0.00 -1.63 1.01 -0.97 -2.11 121.20 116.17 2yub s ILE 73 Ca 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.34 2yub s ILE 73 Cb 0.03 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.45 2yub s ILE 73 CO -0.08 0.17 0.00 0.59 0.00 0.00 0.00 174.94 175.62 2yub n ASN 74 N 4.53 -2.42 0.00 3.58 3.02 -0.12 -3.09 115.26 120.76 2yub n ASN 74 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2yub n ASN 74 Cb 0.45 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 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 -1.35 0.72 3.18 7.41 0.00 -1.26 -4.97 105.19 108.92 2yub n GLY 75 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.22 0.03 -0.04 2.61 -4.23 -1.18 -5.13 115.64 106.49 2yub s THR 76 Ca 0.00 -0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 2yub s THR 76 Cb 0.00 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.32 2yub s THR 76 CO 0.00 -0.12 1.48 -2.16 -0.54 0.00 0.00 174.62 173.28 2yub s PRO 77 N -0.47 4.24 0.00 3.99 0.04 -1.26 -2.30 135.00 139.23 2yub s PRO 77 Ca -0.06 2.02 0.28 0.00 0.04 0.00 0.00 61.00 63.28 2yub s PRO 77 Cb -0.04 -3.73 1.18 0.00 0.04 0.00 0.00 34.50 31.95 2yub s PRO 77 CO 0.02 -0.69 1.89 1.33 0.04 0.00 0.00 177.00 179.58 2yub n VAL 78 N 5.03 0.09 0.20 -0.36 0.24 -1.23 -1.46 118.33 120.85 2yub n VAL 78 Ca 0.15 0.02 0.09 0.00 -2.04 0.00 0.00 64.34 62.56 2yub n VAL 78 Cb 0.43 -0.54 0.13 0.00 -1.47 0.00 0.00 33.84 32.39 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 0.00 0.00 0.00 7.34 -0.00 -1.82 -3.35 114.38 116.55 2yub h ARG 79 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.81 2yub h ARG 79 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.42 2yub h ARG 79 CO 0.00 0.16 -1.66 0.25 -0.00 0.00 0.00 179.97 178.72 2yub n THR 80 N -3.14 0.66 -1.38 0.08 -2.24 -1.17 -4.59 114.28 102.50 2yub n THR 80 Ca 0.03 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 2yub n THR 80 Cb 0.59 -0.90 0.01 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.82 -1.29 -4.74 3.22 4.77 -0.53 -4.78 117.00 110.83 2yub n LEU 81 Ca -0.20 0.82 -0.41 0.00 -0.03 0.00 0.00 56.01 56.20 2yub n LEU 81 Cb 0.72 -1.01 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2yub n LEU 81 CO 0.12 -3.57 0.70 -0.13 -1.33 0.00 0.00 177.39 173.18 2yub s ARG 82 N -1.39 4.73 0.20 3.23 0.52 -1.26 -3.70 118.95 121.27 2yub s ARG 82 Ca 0.62 1.54 -0.16 0.00 -0.52 0.00 0.00 55.73 57.22 2yub s ARG 82 Cb -0.58 -3.31 0.20 0.00 0.52 0.00 0.00 34.95 31.77 2yub s ARG 82 CO 0.60 0.29 1.34 0.28 0.02 0.00 0.00 175.30 177.83 2yub n VAL 83 N 2.16 -0.46 -0.16 3.52 0.31 -1.26 0.94 118.33 123.38 2yub n VAL 83 Ca 0.01 2.03 -0.03 0.00 -0.01 0.00 0.00 64.34 66.34 2yub n VAL 83 Cb 0.48 -2.67 0.06 0.00 -0.91 0.00 0.00 33.84 30.80 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 0.35 -0.53 5.55 9.09 -1.94 -0.66 114.58 126.44 2yub h GLU 84 Ca 0.29 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.65 2yub h GLU 84 Cb 0.51 -0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.51 2yub h GLU 84 CO -0.86 0.23 0.18 0.93 0.05 0.00 0.00 179.01 179.54 2yub h GLU 85 N 0.36 0.78 -0.41 1.06 4.39 0.20 0.16 114.58 121.12 2yub h GLU 85 Ca 0.24 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 2yub h GLU 85 Cb 0.26 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2yub h GLU 85 CO -0.24 0.67 0.05 0.28 -1.16 0.00 0.00 179.01 178.60 2yub h VAL 86 N 0.76 1.25 0.12 3.13 2.07 0.67 -2.44 116.25 121.81 2yub h VAL 86 Ca 0.18 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2yub h VAL 86 Cb 0.20 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2yub h VAL 86 CO -0.01 0.31 -0.06 -0.33 0.02 0.00 0.00 177.57 177.50 2yub h GLU 87 N 0.53 -0.15 -1.13 1.57 4.39 -0.87 -3.22 114.58 115.71 2yub h GLU 87 Ca 0.12 0.01 0.32 0.00 0.34 0.00 0.00 59.36 60.15 2yub h GLU 87 Cb 0.40 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 2yub h GLU 87 CO 0.01 0.33 0.74 -0.44 -1.16 0.00 0.00 179.01 178.49 2yub h ASP 88 N -0.79 0.33 -0.94 1.42 5.19 -0.74 0.44 116.42 121.34 2yub h ASP 88 Ca -0.02 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.54 2yub h ASP 88 Cb 0.55 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.04 2yub h ASP 88 CO 0.03 0.02 0.61 0.00 -3.12 0.00 0.00 179.24 176.77 2yub h ALA 89 N 1.58 1.48 -0.01 3.45 0.00 -1.44 0.22 119.26 124.54 2yub h ALA 89 Ca 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 2yub h ALA 89 Cb 1.86 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2yub h ALA 89 CO -0.28 0.38 -0.07 0.82 0.00 0.00 0.00 179.25 180.09 2yub h ILE 90 N 1.07 1.52 0.00 0.00 1.08 -0.22 -3.17 117.51 117.79 2yub h ILE 90 Ca 0.40 -1.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.22 2yub h ILE 90 Cb 0.19 2.58 -0.00 0.00 -3.07 0.00 0.00 36.82 36.52 2yub h ILE 90 CO -0.15 0.44 -0.04 0.11 -0.69 0.00 0.00 178.15 177.81 2yub h LYS 91 N -0.57 0.00 -5.10 2.37 1.57 -1.15 -3.38 116.57 110.31 2yub h LYS 91 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2yub h LYS 91 Cb 0.75 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.09 2yub h LYS 91 CO 0.02 0.04 0.65 1.04 -0.57 0.00 0.00 179.45 180.63 2yub n GLN 92 N -3.38 0.46 -2.90 3.15 1.13 0.76 -4.78 117.38 111.82 2yub n GLN 92 Ca -0.02 -1.72 -0.43 0.00 -1.94 0.00 0.00 57.00 52.89 2yub n GLN 92 Cb 0.17 -3.54 0.01 0.00 0.11 0.00 0.00 30.24 26.98 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 8.22 5.03 0.00 5.09 -2.24 -1.26 -4.40 114.28 124.72 2yub n THR 93 Ca 0.44 -5.53 0.00 0.00 -2.27 0.00 0.00 64.05 56.69 2yub n THR 93 Cb 0.45 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 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 2.12 1.40 -1.68 3.42 7.64 -1.26 -4.13 113.62 121.13 2yub n SER 94 Ca 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.15 2yub n SER 94 Cb 0.35 0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.41 1.06 -2.19 1.43 0.00 -1.26 -4.63 117.38 110.38 2yub n GLN 95 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 57.00 56.38 2yub n GLN 95 Cb 0.16 0.10 -0.03 0.00 0.00 0.00 0.00 30.24 30.47 2yub n GLN 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2yub s THR 96 N -1.55 3.74 -0.33 -0.39 2.01 -1.26 -1.97 115.64 115.89 2yub s THR 96 Ca 0.01 1.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.91 2yub s THR 96 Cb 0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2yub s THR 96 CO 0.01 -0.04 0.38 -0.22 -0.69 0.00 0.00 174.62 174.06 2yub s LEU 97 N 2.95 4.35 -0.07 4.42 2.96 0.19 -4.89 118.68 128.59 2yub s LEU 97 Ca 0.65 -0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 54.28 2yub s LEU 97 Cb -0.31 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 2yub s LEU 97 CO 0.26 -0.32 0.40 -1.58 -1.32 0.00 0.00 176.35 173.79 2yub s GLN 98 N 2.06 4.12 -0.03 1.98 0.74 -1.26 -2.89 119.66 124.38 2yub s GLN 98 Ca 0.13 0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.93 2yub s GLN 98 Cb -0.16 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.61 2yub s GLN 98 CO 0.12 0.43 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.65 2yub s LEU 99 N -0.21 1.87 -0.18 3.68 1.43 -0.74 -0.95 118.68 123.58 2yub s LEU 99 Ca 0.23 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2yub s LEU 99 Cb -0.15 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 2yub s LEU 99 CO 0.10 0.11 -0.03 -0.22 0.23 0.00 0.00 176.35 176.55 2yub s LEU 100 N 0.05 3.16 0.20 1.79 2.96 -0.89 -1.50 118.68 124.45 2yub s LEU 100 Ca -0.02 -0.22 0.11 0.00 -0.22 0.00 0.00 54.13 53.79 2yub s LEU 100 Cb -0.09 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2yub s LEU 100 CO 0.01 0.09 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.27 2yub s ILE 101 N 0.82 2.35 0.26 6.68 -1.09 0.34 -1.12 121.20 129.43 2yub s ILE 101 Ca -0.01 -2.08 -0.07 0.00 -2.23 0.00 0.00 60.65 56.27 2yub s ILE 101 Cb -0.14 -2.14 -0.06 0.00 -1.58 0.00 0.00 42.46 38.54 2yub s ILE 101 CO 0.02 -0.16 0.54 -1.61 -1.23 0.00 0.00 174.94 172.50 2yub s GLU 102 N -2.79 3.69 -0.16 2.79 2.02 -1.25 -0.42 118.70 122.59 2yub s GLU 102 Ca 0.22 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.32 2yub s GLU 102 Cb -0.07 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2yub s GLU 102 CO 0.10 0.27 -0.16 -1.58 0.02 0.00 0.00 175.26 173.91 2yub s HIS 103 N -1.96 2.78 -0.48 1.61 2.46 -1.12 -4.81 115.29 113.77 2yub s HIS 103 Ca 0.45 -1.14 0.08 0.00 0.47 0.00 0.00 55.06 54.92 2yub s HIS 103 Cb -0.11 -1.90 0.36 0.00 -0.13 0.00 0.00 32.58 30.80 2yub s HIS 103 CO 0.26 -0.53 0.89 -3.47 -2.47 0.00 0.00 174.74 169.42 2yub n ASP 104 N 4.16 3.12 -0.09 9.88 2.03 -1.26 -4.06 116.55 130.34 2yub n ASP 104 Ca -0.19 -3.41 -0.12 0.00 0.52 0.00 0.00 54.79 51.59 2yub n ASP 104 Cb 0.51 -0.57 0.01 0.00 -0.72 0.00 0.00 41.12 40.36 2yub n ASP 104 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2yub h PRO 105 N 2.95 0.84 -6.30 -0.67 0.13 -1.99 -3.44 132.00 123.52 2yub h PRO 105 Ca 0.12 -0.44 -0.56 0.00 -0.87 0.00 0.00 66.00 64.25 2yub h PRO 105 Cb 0.74 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 2yub h PRO 105 CO 0.70 1.08 -0.03 0.08 -0.23 0.00 0.00 178.00 179.60 2yub s VAL 106 N -4.33 4.74 0.68 1.56 1.01 -1.26 -5.07 120.40 117.74 2yub s VAL 106 Ca -0.10 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 2yub s VAL 106 Cb 0.11 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2yub s VAL 106 CO 0.87 0.43 1.11 -2.16 0.00 0.00 0.00 175.10 175.34 2yub s PRO 107 N -1.45 2.68 0.50 2.72 0.04 -1.26 -5.06 135.00 133.16 2yub s PRO 107 Ca 0.33 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2yub s PRO 107 Cb -0.18 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2yub s PRO 107 CO 0.19 -1.34 0.68 -0.65 0.04 0.00 0.00 177.00 175.93 2yub s GLN 108 N -4.27 2.59 -0.76 4.56 -0.21 -1.26 -5.05 119.66 115.27 2yub s GLN 108 Ca 0.66 -1.25 -0.20 0.00 0.02 0.00 0.00 55.36 54.59 2yub s GLN 108 Cb -0.20 -2.66 0.11 0.00 1.00 0.00 0.00 33.01 31.26 2yub s GLN 108 CO 0.45 -0.55 0.96 0.50 -2.12 0.00 0.00 175.29 174.53 2yub s ARG 109 N -4.54 3.30 -0.29 2.91 3.52 -1.26 -4.99 118.95 117.61 2yub s ARG 109 Ca 0.58 -1.36 -0.38 0.00 -0.13 0.00 0.00 55.73 54.43 2yub s ARG 109 Cb -0.09 -4.51 -0.17 0.00 -1.56 0.00 0.00 34.95 28.62 2yub s ARG 109 CO 0.36 -1.72 1.22 -0.11 -0.81 0.00 0.00 175.30 174.24 2yub n LEU 110 N 6.81 0.71 -4.04 -0.88 7.94 -1.26 -4.92 117.00 121.36 2yub n LEU 110 Ca 0.06 1.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.86 2yub n LEU 110 Cb 0.46 -0.75 -0.07 0.00 0.53 0.00 0.00 43.42 43.59 2yub n LEU 110 CO 0.56 -0.99 0.05 -1.81 -1.11 0.00 0.00 177.39 174.10 2yub s ASP 111 N 1.76 -0.02 -0.04 1.96 1.11 -1.26 -5.13 116.67 115.06 2yub s ASP 111 Ca 0.85 -1.03 -0.30 0.00 0.18 0.00 0.00 52.55 52.25 2yub s ASP 111 Cb -1.21 0.52 -0.05 0.00 1.07 0.00 0.00 42.92 43.25 2yub s ASP 111 CO 0.63 -1.03 1.40 -1.10 1.18 0.00 0.00 175.17 176.24 2yub s GLN 112 N -4.04 4.27 0.31 8.23 1.11 -1.26 -5.00 119.66 123.27 2yub s GLN 112 Ca 0.26 1.92 0.04 0.00 0.01 0.00 0.00 55.36 57.58 2yub s GLN 112 Cb 0.02 -3.67 -0.04 0.00 -1.01 0.00 0.00 33.01 28.32 2yub s GLN 112 CO 0.08 -0.63 0.17 -1.54 0.01 0.00 0.00 175.29 173.39 2yub s SER 113 N 2.08 1.56 0.00 5.90 1.04 -1.26 -5.14 113.70 117.88 2yub s SER 113 Ca 0.63 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2yub s SER 113 Cb -0.29 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2yub s SER 113 CO 0.24 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2yub n GLY 114 N -0.59 0.25 3.77 7.32 0.00 -1.26 -5.06 105.19 109.61 2yub n GLY 114 Ca 0.02 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.08 3.87 0.15 1.61 0.04 -1.26 -4.95 135.00 134.37 2yub s PRO 115 Ca 0.00 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 2yub s PRO 115 Cb 0.00 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 2yub s PRO 115 CO 0.00 -0.47 1.58 0.66 0.04 0.00 0.00 177.00 178.81 2yub h SER 116 N 2.28 -1.35 -3.35 6.66 4.64 -2.04 -3.06 113.55 117.33 2yub h SER 116 Ca -0.49 0.21 -0.80 0.00 -0.47 0.00 0.00 61.79 60.24 2yub h SER 116 Cb 1.24 0.59 -0.27 0.00 -0.31 0.00 0.00 62.40 63.65 2yub h SER 116 CO 0.61 -0.37 0.58 -1.54 -0.87 0.00 0.00 176.83 175.24 2yub n SER 117 N -5.42 5.69 0.00 4.97 3.41 -1.26 -5.23 113.62 115.78 2yub n SER 117 Ca -0.01 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 2yub n SER 117 Cb 0.35 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49