#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srj h GLY 16 N 0.00 0.32 1.30 0.00 0.00 -2.02 -2.95 103.07 99.71 1srj h GLY 16 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 46.94 1srj h GLY 16 CO 0.00 0.15 -0.93 -2.22 0.00 0.00 0.00 176.54 173.54 1srj h ILE 17 N 0.22 1.31 -2.73 2.60 2.04 -1.98 -3.44 117.51 115.53 1srj h ILE 17 Ca 0.07 -2.20 -0.52 0.00 1.00 0.00 0.00 64.86 63.22 1srj h ILE 17 Cb 0.09 2.25 0.06 0.00 -0.74 0.00 0.00 36.82 38.49 1srj h ILE 17 CO -0.01 0.68 1.01 -0.89 0.00 0.00 0.00 178.15 178.93 1srj s THR 18 N -3.45 2.00 -5.00 -0.27 2.01 -1.12 -4.80 115.64 105.01 1srj s THR 18 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1srj s THR 18 Cb 0.08 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1srj s THR 18 CO 0.90 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 1srj n GLY 19 N 3.79 -0.18 3.47 4.40 0.00 -0.76 -4.72 105.19 111.19 1srj n GLY 19 Ca 0.15 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1srj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1srj s THR 20 N -2.62 3.94 0.27 2.61 2.01 -1.26 -1.76 115.64 118.81 1srj s THR 20 Ca 0.00 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1srj s THR 20 Cb 0.00 -2.75 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 1srj s THR 20 CO 0.00 0.46 -0.08 0.26 -0.69 0.00 0.00 174.62 174.57 1srj s TRP 21 N 0.68 1.92 0.00 4.92 0.52 0.20 -4.60 118.94 122.57 1srj s TRP 21 Ca -0.01 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.46 1srj s TRP 21 Cb -0.14 -1.05 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1srj s TRP 21 CO 0.02 0.31 -0.03 0.71 0.02 0.00 0.00 176.95 177.99 1srj s TYR 22 N -2.99 0.24 0.53 -1.98 2.02 0.99 -0.19 117.35 115.97 1srj s TYR 22 Ca 0.28 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.91 1srj s TYR 22 Cb 0.03 -0.15 0.10 0.00 -0.40 0.00 0.00 41.96 41.53 1srj s TYR 22 CO 0.11 -0.03 0.74 0.27 -1.57 0.00 0.00 175.55 175.07 1srj n ASN 23 N 2.76 1.55 0.30 2.29 0.23 -1.06 -1.20 115.26 120.13 1srj n ASN 23 Ca -0.14 -2.18 0.17 0.00 -0.53 0.00 0.00 54.58 51.90 1srj n ASN 23 Cb 0.58 -0.43 0.91 0.00 -2.08 0.00 0.00 39.78 38.77 1srj n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1srj h GLN 24 N 0.00 0.00 0.00 -3.83 -0.00 -1.92 -1.50 115.11 107.86 1srj h GLN 24 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1srj h GLN 24 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.52 1srj h GLN 24 CO 0.32 0.04 -0.32 -0.07 -0.00 0.00 0.00 178.83 178.80 1srj h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.94 -3.47 115.31 113.33 1srj h LEU 25 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1srj h LEU 25 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1srj h LEU 25 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1srj n GLY 26 N 1.13 0.86 3.76 0.83 0.00 -0.56 -4.79 105.19 106.41 1srj n GLY 26 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1srj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1srj s SER 27 N -2.27 4.63 -0.15 1.61 0.01 -1.26 -4.72 113.70 111.54 1srj s SER 27 Ca 0.00 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.27 1srj s SER 27 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1srj s SER 27 CO 0.00 -1.96 -0.15 -0.89 0.41 0.00 0.00 173.24 170.65 1srj s THR 28 N -2.49 2.69 -0.28 1.44 2.01 0.59 -2.56 115.64 117.03 1srj s THR 28 Ca 0.66 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 1srj s THR 28 Cb -0.21 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1srj s THR 28 CO 0.48 0.52 -0.02 0.12 -0.69 0.00 0.00 174.62 175.02 1srj s PHE 29 N 0.71 3.20 -0.32 4.92 5.36 0.73 -0.72 117.98 131.87 1srj s PHE 29 Ca -0.07 -1.79 -0.08 0.00 -0.96 0.00 0.00 56.93 54.03 1srj s PHE 29 Cb -0.16 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1srj s PHE 29 CO 0.01 -0.78 0.12 0.42 -1.46 0.00 0.00 175.22 173.53 1srj s ILE 30 N 1.27 4.17 0.10 3.12 1.01 -0.53 0.58 121.20 130.92 1srj s ILE 30 Ca -0.04 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.95 1srj s ILE 30 Cb -0.19 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1srj s ILE 30 CO -0.02 -0.00 -0.14 0.68 0.00 0.00 0.00 174.94 175.45 1srj s VAL 31 N 1.52 1.24 -0.14 2.92 -7.23 -0.73 -1.27 120.40 116.72 1srj s VAL 31 Ca 0.02 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1srj s VAL 31 Cb -0.18 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.43 1srj s VAL 31 CO 0.04 -0.33 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.41 1srj s THR 32 N -1.77 1.94 -0.25 5.32 2.01 0.22 -1.83 115.64 121.26 1srj s THR 32 Ca 0.04 -0.89 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 1srj s THR 32 Cb -0.07 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 1srj s THR 32 CO 0.03 0.52 0.16 0.00 -0.69 0.00 0.00 174.62 174.64 1srj s ALA 33 N 0.97 3.55 0.49 7.40 0.00 -1.26 -2.21 121.76 130.70 1srj s ALA 33 Ca -0.04 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1srj s ALA 33 Cb -0.15 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 1srj s ALA 33 CO -0.04 -0.32 0.94 0.20 0.00 0.00 0.00 175.76 176.53 1srj s GLY 34 N 1.31 2.06 0.35 0.00 0.00 0.40 -4.64 107.32 106.81 1srj s GLY 34 Ca 0.07 0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1srj s GLY 34 CO 0.07 0.38 2.00 0.00 0.00 0.00 0.00 173.10 175.54 1srj h ALA 35 N 1.05 1.60 0.00 3.20 0.00 -1.99 -2.62 119.26 120.50 1srj h ALA 35 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1srj h ALA 35 Cb 1.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1srj h ALA 35 CO 0.62 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 1srj n ASP 36 N -4.45 0.45 0.00 0.00 5.75 -1.26 -4.86 116.55 112.18 1srj n ASP 36 Ca 0.08 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 1srj n ASP 36 Cb 0.10 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1srj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1srj n GLY 37 N 0.48 0.85 3.85 6.12 0.00 -0.99 -4.90 105.19 110.60 1srj n GLY 37 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1srj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srj s ALA 38 N -2.00 3.36 -0.09 4.61 0.00 -1.26 -0.97 121.76 125.42 1srj s ALA 38 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1srj s ALA 38 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1srj s ALA 38 CO 0.00 0.35 -0.22 -0.51 0.00 0.00 0.00 175.76 175.38 1srj s LEU 39 N -2.86 2.01 0.03 0.00 1.43 -0.75 -0.45 118.68 118.08 1srj s LEU 39 Ca 0.52 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1srj s LEU 39 Cb -0.11 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1srj s LEU 39 CO 0.18 0.15 -0.04 0.42 0.23 0.00 0.00 176.35 177.29 1srj s THR 40 N 0.33 0.19 -4.48 5.49 -4.23 -0.94 -1.42 115.64 110.58 1srj s THR 40 Ca -0.16 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1srj s THR 40 Cb -0.17 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1srj s THR 40 CO 0.07 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1srj n GLY 41 N 1.32 -0.50 3.04 3.99 0.00 -1.09 -0.61 105.19 111.33 1srj n GLY 41 Ca -0.22 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1srj n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1srj s THR 42 N -3.23 0.36 -0.09 2.61 -1.32 -0.40 -1.87 115.64 111.71 1srj s THR 42 Ca 0.00 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 1srj s THR 42 Cb 0.00 -0.63 0.02 0.00 -1.51 0.00 0.00 72.50 70.38 1srj s THR 42 CO 0.00 -0.52 -0.08 -0.47 -2.21 0.00 0.00 174.62 171.34 1srj s TYR 43 N -1.79 1.31 -0.29 9.09 6.14 0.15 -1.46 117.35 130.51 1srj s TYR 43 Ca -0.09 -0.56 -0.00 0.00 0.64 0.00 0.00 57.07 57.05 1srj s TYR 43 Cb -0.07 -1.07 0.05 0.00 0.42 0.00 0.00 41.96 41.29 1srj s TYR 43 CO -0.01 -0.38 -0.03 -2.00 0.64 0.00 0.00 175.55 173.76 1srj s GLU 44 N 1.29 2.39 0.43 4.97 2.12 0.10 -0.78 118.70 129.22 1srj s GLU 44 Ca -0.03 -1.28 -0.22 0.00 0.36 0.00 0.00 54.97 53.79 1srj s GLU 44 Cb -0.14 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.07 1srj s GLU 44 CO -0.03 -0.60 1.03 0.45 -0.54 0.00 0.00 175.26 175.57 1srj s SER 45 N 1.21 6.63 0.00 -1.70 0.15 -1.24 -0.30 113.70 118.46 1srj s SER 45 Ca -0.06 1.95 0.09 0.00 0.70 0.00 0.00 55.95 58.62 1srj s SER 45 Cb -0.20 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.66 1srj s SER 45 CO -0.02 -0.58 0.90 0.00 1.20 0.00 0.00 173.24 174.74 1srj n ALA 46 N -0.48 2.39 -3.59 5.45 0.00 -1.26 -4.30 120.51 118.72 1srj n ALA 46 Ca 0.07 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1srj n ALA 46 Cb 0.51 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1srj n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1srj n VAL 47 N 0.45 0.00 0.00 0.00 0.24 -1.26 -4.90 118.33 112.85 1srj n VAL 47 Ca 0.06 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1srj n VAL 47 Cb 0.27 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1srj n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1srj n GLY 48 N -0.32 2.21 0.00 7.63 0.00 -1.26 -3.86 105.19 109.59 1srj n GLY 48 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1srj n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1srj n ASN 49 N 4.31 0.00 -0.31 1.61 0.23 -1.26 -5.19 115.26 114.65 1srj n ASN 49 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1srj n ASN 49 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1srj n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1srj n ALA 50 N 0.00 0.00 0.00 -2.53 0.00 -1.25 -5.01 120.51 111.72 1srj n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1srj n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1srj n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1srj n GLU 51 N 0.00 0.00 -4.38 0.00 0.28 -1.26 -4.94 120.64 110.34 1srj n GLU 51 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1srj n GLU 51 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 1srj n GLU 51 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1srj s SER 52 N 0.00 4.08 0.21 -1.84 1.04 -1.26 -4.99 113.70 110.94 1srj s SER 52 Ca 0.00 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 1srj s SER 52 Cb 0.00 -0.48 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 1srj s SER 52 CO 0.00 -0.26 0.40 0.00 0.98 0.00 0.00 173.24 174.36 1srj s ARG 53 N -3.71 3.52 0.06 4.02 1.70 -1.26 -3.61 118.95 119.68 1srj s ARG 53 Ca 0.35 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.30 1srj s ARG 53 Cb 0.01 -2.83 -0.03 0.00 -0.57 0.00 0.00 34.95 31.53 1srj s ARG 53 CO 0.19 0.39 -0.08 0.71 -1.08 0.00 0.00 175.30 175.43 1srj s TYR 54 N -1.88 0.78 0.39 5.89 1.51 0.04 -4.85 117.35 119.23 1srj s TYR 54 Ca 0.39 -0.62 -0.23 0.00 -1.01 0.00 0.00 57.07 55.59 1srj s TYR 54 Cb -0.11 -0.46 -0.10 0.00 -0.11 0.00 0.00 41.96 41.18 1srj s TYR 54 CO 0.29 -0.09 0.97 0.08 -1.11 0.00 0.00 175.55 175.69 1srj s VAL 55 N -2.05 4.17 0.06 0.71 1.01 -1.26 -0.68 120.40 122.37 1srj s VAL 55 Ca -0.03 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1srj s VAL 55 Cb -0.05 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1srj s VAL 55 CO -0.01 -0.10 -0.09 -1.48 0.00 0.00 0.00 175.10 173.42 1srj s LEU 56 N -2.74 2.32 -0.01 3.92 0.05 -0.78 -4.36 118.68 117.08 1srj s LEU 56 Ca 0.58 -0.67 -0.05 0.00 0.05 0.00 0.00 54.13 54.04 1srj s LEU 56 Cb -0.15 -0.22 0.00 0.00 -2.05 0.00 0.00 46.19 43.77 1srj s LEU 56 CO 0.20 -0.23 0.10 0.28 -0.55 0.00 0.00 176.35 176.14 1srj s THR 57 N -1.87 0.05 0.00 5.48 -1.32 -1.11 -2.69 115.64 114.19 1srj s THR 57 Ca -0.03 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1srj s THR 57 Cb -0.07 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1srj s THR 57 CO -0.00 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1srj n GLY 58 N 2.12 1.72 3.06 6.08 0.00 -0.50 -1.05 105.19 116.61 1srj n GLY 58 Ca -0.19 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1srj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srj s ARG 59 N -1.93 0.53 0.08 1.61 1.81 -0.73 -1.82 118.95 118.50 1srj s ARG 59 Ca 0.00 -0.97 -0.12 0.00 -1.72 0.00 0.00 55.73 52.92 1srj s ARG 59 Cb 0.00 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.57 1srj s ARG 59 CO 0.00 -0.06 0.27 1.52 -0.68 0.00 0.00 175.30 176.35 1srj s TYR 60 N -2.73 -0.01 -0.46 -0.53 1.13 -0.14 -1.82 117.35 112.79 1srj s TYR 60 Ca -0.02 -0.32 -0.29 0.00 -1.41 0.00 0.00 57.07 55.03 1srj s TYR 60 Cb -0.01 0.06 0.03 0.00 -1.10 0.00 0.00 41.96 40.94 1srj s TYR 60 CO -0.05 -0.57 1.19 0.34 -2.51 0.00 0.00 175.55 173.96 1srj s ASP 61 N -2.62 6.57 0.00 -0.18 2.15 -0.42 -4.58 116.67 117.59 1srj s ASP 61 Ca 0.02 0.54 0.24 0.00 0.43 0.00 0.00 52.55 53.77 1srj s ASP 61 Cb 0.02 -2.55 1.25 0.00 -0.30 0.00 0.00 42.92 41.35 1srj s ASP 61 CO -0.09 -1.29 1.83 -1.54 -0.17 0.00 0.00 175.17 173.90 1srj n SER 62 N 8.05 0.48 -3.11 -0.34 3.41 -1.26 -4.08 113.62 116.76 1srj n SER 62 Ca 0.13 -1.37 -0.20 0.00 -0.26 0.00 0.00 58.87 57.17 1srj n SER 62 Cb 0.49 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1srj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1srj n ALA 63 N -0.53 1.73 -0.88 7.33 0.00 -1.26 -5.01 120.51 121.88 1srj n ALA 63 Ca 0.18 -3.06 -0.30 0.00 0.00 0.00 0.00 53.44 50.26 1srj n ALA 63 Cb 0.16 -0.91 0.17 0.00 0.00 0.00 0.00 19.45 18.87 1srj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1srj s PRO 64 N -1.04 0.72 0.00 0.00 0.04 -1.26 -5.17 135.00 128.30 1srj s PRO 64 Ca 0.35 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1srj s PRO 64 Cb 0.21 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1srj s PRO 64 CO -0.12 -2.69 0.12 0.00 0.04 0.00 0.00 177.00 174.35 1srj n ALA 65 N -4.23 0.00 0.03 8.56 0.00 -1.26 -5.16 120.51 118.46 1srj n ALA 65 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1srj n ALA 65 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 1srj n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1srj n SER 69 N -0.43 2.75 -4.77 0.00 3.41 -1.26 -5.08 113.62 108.24 1srj n SER 69 Ca 0.00 -0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.10 1srj n SER 69 Cb 0.00 1.05 0.14 0.00 -0.26 0.00 0.00 64.21 65.13 1srj n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1srj s GLY 70 N -1.78 1.58 -0.27 5.00 0.00 -1.26 -4.99 107.32 105.60 1srj s GLY 70 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1srj s GLY 70 CO 0.07 0.12 0.10 -1.59 0.00 0.00 0.00 173.10 171.81 1srj s THR 71 N -3.19 4.47 0.36 0.90 2.01 -0.13 -4.89 115.64 115.17 1srj s THR 71 Ca 0.64 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 62.14 1srj s THR 71 Cb -0.16 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1srj s THR 71 CO 0.54 0.25 1.17 0.00 -0.69 0.00 0.00 174.62 175.89 1srj s ALA 72 N 1.62 3.25 0.35 7.40 0.00 -1.26 -0.70 121.76 132.42 1srj s ALA 72 Ca 0.06 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 1srj s ALA 72 Cb -0.16 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1srj s ALA 72 CO 0.05 -0.45 0.77 -0.48 0.00 0.00 0.00 175.76 175.65 1srj s LEU 73 N -2.18 -0.08 -0.14 0.00 2.34 -0.46 -1.31 118.68 116.86 1srj s LEU 73 Ca 0.53 -0.97 -0.33 0.00 0.06 0.00 0.00 54.13 53.42 1srj s LEU 73 Cb -0.32 2.81 0.13 0.00 -0.56 0.00 0.00 46.19 48.25 1srj s LEU 73 CO 0.40 -1.58 1.12 -0.83 -1.06 0.00 0.00 176.35 174.40 1srj s GLY 74 N -3.02 -0.34 0.16 -3.48 0.00 -0.76 -1.33 107.32 98.55 1srj s GLY 74 Ca 0.14 1.44 -0.22 0.00 0.00 0.00 0.00 44.72 46.08 1srj s GLY 74 CO 0.10 0.48 0.57 0.66 0.00 0.00 0.00 173.10 174.92 1srj s TRP 75 N -2.60 -0.48 0.06 1.90 -2.14 -0.76 -1.78 118.94 113.14 1srj s TRP 75 Ca 0.08 0.25 0.07 0.00 2.66 0.00 0.00 56.10 59.16 1srj s TRP 75 Cb -0.01 0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 30.85 1srj s TRP 75 CO -0.06 -0.84 -0.19 0.99 -2.66 0.00 0.00 176.95 174.19 1srj s THR 76 N -3.76 1.51 -0.09 0.66 2.01 -0.22 -0.96 115.64 114.79 1srj s THR 76 Ca 0.02 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1srj s THR 76 Cb -0.01 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1srj s THR 76 CO -0.12 0.06 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.09 1srj s VAL 77 N -0.93 1.05 -0.18 3.82 1.01 -0.16 -2.74 120.40 122.27 1srj s VAL 77 Ca 0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1srj s VAL 77 Cb -0.09 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1srj s VAL 77 CO 0.02 0.36 0.25 0.00 0.00 0.00 0.00 175.10 175.73 1srj s ALA 78 N 1.26 3.61 -1.57 5.51 0.00 -1.26 -1.15 121.76 128.17 1srj s ALA 78 Ca -0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1srj s ALA 78 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1srj s ALA 78 CO -0.03 0.06 2.71 0.91 0.00 0.00 0.00 175.76 179.40 1srj n TRP 79 N 3.69 2.81 -3.72 0.00 7.02 0.36 -4.79 117.44 122.82 1srj n TRP 79 Ca -0.13 -3.06 -0.15 0.00 -1.02 0.00 0.00 57.50 53.15 1srj n TRP 79 Cb 0.52 -2.52 -0.15 0.00 -2.42 0.00 0.00 31.31 26.74 1srj n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1srj s LYS 80 N 2.52 0.07 0.00 -0.99 2.47 -1.26 -1.18 119.74 121.37 1srj s LYS 80 Ca 0.62 0.44 0.00 0.00 -1.56 0.00 0.00 55.97 55.47 1srj s LYS 80 Cb 0.17 -0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.32 1srj s LYS 80 CO -0.07 -0.22 0.00 0.27 0.16 0.00 0.00 175.35 175.49 1srj n ASN 81 N 4.61 0.30 0.25 1.43 0.23 -0.46 -4.81 115.26 116.80 1srj n ASN 81 Ca -0.19 -0.44 0.12 0.00 -0.53 0.00 0.00 54.58 53.54 1srj n ASN 81 Cb 0.51 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.85 1srj n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1srj h ASN 82 N 0.00 0.00 0.01 0.53 -0.26 -2.01 -3.31 115.58 110.53 1srj h ASN 82 Ca 0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.36 1srj h ASN 82 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.19 1srj h ASN 82 CO 0.00 0.15 -2.42 -1.22 -1.06 0.00 0.00 177.43 172.87 1srj n TYR 83 N -3.49 0.05 -3.99 1.19 4.01 -1.26 -5.07 117.16 108.60 1srj n TYR 83 Ca -0.01 0.01 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1srj n TYR 83 Cb 0.31 -1.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.25 1srj n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1srj s ARG 84 N -2.51 0.90 -0.22 -0.72 3.52 -1.25 -5.14 118.95 113.54 1srj s ARG 84 Ca -0.25 -1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 54.15 1srj s ARG 84 Cb 0.08 0.31 0.10 0.00 -1.56 0.00 0.00 34.95 33.87 1srj s ARG 84 CO 0.69 -0.28 0.22 1.21 -0.81 0.00 0.00 175.30 176.34 1srj s ASN 85 N -2.94 1.56 0.00 -2.12 3.84 -1.26 -1.35 114.94 112.66 1srj s ASN 85 Ca 0.13 -0.37 0.28 0.00 0.21 0.00 0.00 52.86 53.11 1srj s ASN 85 Cb 0.06 0.35 1.00 0.00 -0.55 0.00 0.00 41.25 42.10 1srj s ASN 85 CO -0.05 -0.34 1.72 0.00 -2.79 0.00 0.00 177.10 175.63 1srj n ALA 86 N 5.31 2.91 -3.77 1.71 0.00 -0.32 -4.96 120.51 121.40 1srj n ALA 86 Ca -0.05 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.84 1srj n ALA 86 Cb 0.49 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1srj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1srj n HIS 87 N -0.86 -1.88 -3.84 0.00 8.25 -1.26 -4.85 115.22 110.78 1srj n HIS 87 Ca 0.13 0.83 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 1srj n HIS 87 Cb 0.31 -4.23 -0.04 0.00 1.12 0.00 0.00 29.99 27.15 1srj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1srj s SER 88 N -4.30 -0.20 -0.08 0.41 1.04 -1.26 -0.79 113.70 108.51 1srj s SER 88 Ca 0.05 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 1srj s SER 88 Cb -0.02 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1srj s SER 88 CO 0.83 -1.13 0.43 0.00 0.98 0.00 0.00 173.24 174.34 1srj s ALA 89 N -3.93 -1.08 -0.01 5.32 0.00 -0.65 -0.48 121.76 120.93 1srj s ALA 89 Ca 0.14 0.88 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1srj s ALA 89 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1srj s ALA 89 CO 0.03 -0.26 -0.23 0.99 0.00 0.00 0.00 175.76 176.29 1srj s THR 90 N -0.66 1.80 -0.07 0.00 2.01 -0.30 -1.09 115.64 117.33 1srj s THR 90 Ca -0.08 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 60.96 1srj s THR 90 Cb -0.03 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 1srj s THR 90 CO 0.04 0.48 -0.21 0.42 -0.69 0.00 0.00 174.62 174.67 1srj s THR 91 N -0.56 1.74 -0.11 -0.82 -4.23 -0.28 -0.99 115.64 110.40 1srj s THR 91 Ca 0.09 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1srj s THR 91 Cb -0.09 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 1srj s THR 91 CO -0.01 0.49 -0.09 0.26 -0.54 0.00 0.00 174.62 174.74 1srj s TRP 92 N 0.19 2.89 -0.07 3.99 0.51 -0.13 -1.68 118.94 124.65 1srj s TRP 92 Ca -0.11 -0.31 0.02 0.00 -2.12 0.00 0.00 56.10 53.58 1srj s TRP 92 Cb -0.15 -1.82 0.02 0.00 -0.81 0.00 0.00 33.47 30.71 1srj s TRP 92 CO 0.05 0.03 -0.10 0.45 -0.51 0.00 0.00 176.95 176.87 1srj s SER 93 N -0.09 1.66 0.00 2.95 0.15 -0.40 -1.83 113.70 116.14 1srj s SER 93 Ca -0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1srj s SER 93 Cb -0.13 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 1srj s SER 93 CO 0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1srj n GLY 94 N 4.04 1.92 3.11 9.45 0.00 -0.45 -1.46 105.19 121.80 1srj n GLY 94 Ca -0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1srj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1srj s GLN 95 N 1.75 0.31 -0.11 1.61 -2.07 -0.53 -1.35 119.66 119.27 1srj s GLN 95 Ca 0.00 0.17 -0.17 0.00 -1.82 0.00 0.00 55.36 53.53 1srj s GLN 95 Cb 0.00 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1srj s GLN 95 CO 0.00 -0.05 0.45 -0.47 -1.32 0.00 0.00 175.29 173.90 1srj s TYR 96 N -0.19 3.53 -0.25 9.60 5.04 0.12 -1.39 117.35 133.81 1srj s TYR 96 Ca -0.03 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.48 1srj s TYR 96 Cb -0.03 -2.51 0.07 0.00 0.35 0.00 0.00 41.96 39.84 1srj s TYR 96 CO 0.01 0.21 -0.04 0.08 -1.34 0.00 0.00 175.55 174.47 1srj s VAL 97 N 0.47 1.60 0.88 3.14 1.01 0.16 -0.95 120.40 126.70 1srj s VAL 97 Ca 0.25 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 1srj s VAL 97 Cb -0.15 -1.89 0.19 0.00 0.00 0.00 0.00 36.38 34.53 1srj s VAL 97 CO 0.10 -0.17 1.20 0.61 0.00 0.00 0.00 175.10 176.85 1srj n GLY 98 N 4.63 -0.73 0.00 4.51 0.00 -1.26 -0.90 105.19 111.44 1srj n GLY 98 Ca -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1srj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srj n GLY 99 N -3.28 0.61 0.30 -0.02 0.00 -1.26 -4.69 105.19 96.85 1srj n GLY 99 Ca 0.17 -2.12 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 1srj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srj h ALA 100 N 0.00 1.09 -2.19 4.61 0.00 -2.07 -3.17 119.26 117.53 1srj h ALA 100 Ca 0.00 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1srj h ALA 100 Cb 0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 17.79 17.17 1srj h ALA 100 CO 0.00 0.21 -0.53 -0.85 0.00 0.00 0.00 179.25 178.08 1srj n GLU 101 N -4.67 2.76 -1.68 0.00 0.28 -1.26 -5.09 120.64 110.99 1srj n GLU 101 Ca 0.11 -4.71 -0.42 0.00 -0.16 0.00 0.00 57.16 51.98 1srj n GLU 101 Cb 0.17 -2.27 -0.00 0.00 1.43 0.00 0.00 31.44 30.77 1srj n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1srj n ALA 102 N 0.66 0.99 -2.72 -1.84 0.00 -1.20 -4.96 120.51 111.44 1srj n ALA 102 Ca 0.30 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.98 1srj n ALA 102 Cb 0.40 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 1srj n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1srj s ARG 103 N -1.92 0.74 -0.24 0.00 0.52 -0.07 -4.34 118.95 113.64 1srj s ARG 103 Ca 0.58 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1srj s ARG 103 Cb -0.57 0.30 0.06 0.00 0.52 0.00 0.00 34.95 35.26 1srj s ARG 103 CO 0.61 -0.22 -0.09 0.42 0.02 0.00 0.00 175.30 176.04 1srj s ILE 104 N -3.08 1.82 -0.21 1.52 1.01 -0.48 -0.67 121.20 121.10 1srj s ILE 104 Ca -0.01 -1.37 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 1srj s ILE 104 Cb 0.01 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1srj s ILE 104 CO -0.07 -0.03 0.34 0.20 0.00 0.00 0.00 174.94 175.38 1srj s ASN 105 N 1.27 6.36 0.19 3.58 0.01 -0.49 -0.72 114.94 125.14 1srj s ASN 105 Ca -0.07 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1srj s ASN 105 Cb -0.19 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 1srj s ASN 105 CO -0.06 -0.05 0.08 0.42 -1.51 0.00 0.00 177.10 175.98 1srj s THR 106 N 1.29 0.29 0.04 1.60 -4.23 -0.37 -1.46 115.64 112.80 1srj s THR 106 Ca 0.16 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1srj s THR 106 Cb -0.14 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1srj s THR 106 CO 0.07 -0.19 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.70 1srj s GLN 107 N -4.06 1.07 0.10 3.99 -0.21 -0.54 -2.21 119.66 117.80 1srj s GLN 107 Ca 0.33 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.94 1srj s GLN 107 Cb 0.07 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.93 1srj s GLN 107 CO 0.09 0.28 -0.08 1.67 -2.12 0.00 0.00 175.29 175.13 1srj s TRP 108 N -0.80 0.96 -0.09 0.91 1.48 0.46 -1.27 118.94 120.59 1srj s TRP 108 Ca 0.03 -0.83 0.02 0.00 -1.06 0.00 0.00 56.10 54.26 1srj s TRP 108 Cb -0.08 -0.54 0.01 0.00 -1.16 0.00 0.00 33.47 31.71 1srj s TRP 108 CO 0.01 -0.09 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.16 1srj s LEU 109 N -2.91 1.68 -0.20 -4.66 1.43 -0.67 -1.60 118.68 111.74 1srj s LEU 109 Ca 0.11 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1srj s LEU 109 Cb 0.03 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1srj s LEU 109 CO -0.03 0.03 -0.16 -0.22 0.23 0.00 0.00 176.35 176.20 1srj s LEU 110 N 0.82 2.51 -0.11 1.79 2.96 -0.36 -1.12 118.68 125.16 1srj s LEU 110 Ca -0.11 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.06 1srj s LEU 110 Cb -0.15 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1srj s LEU 110 CO 0.02 -0.04 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.95 1srj s THR 111 N 1.28 2.74 0.09 3.68 2.01 -0.25 -1.17 115.64 124.02 1srj s THR 111 Ca 0.02 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1srj s THR 111 Cb -0.15 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1srj s THR 111 CO -0.10 0.54 0.17 -0.44 -0.69 0.00 0.00 174.62 174.11 1srj s SER 112 N 0.17 6.01 0.19 3.53 0.01 -0.70 -1.64 113.70 121.27 1srj s SER 112 Ca -0.09 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 1srj s SER 112 Cb -0.16 -1.75 -0.08 0.00 0.21 0.00 0.00 66.02 64.25 1srj s SER 112 CO 0.06 0.14 1.20 -0.83 0.41 0.00 0.00 173.24 174.22 1srj s GLY 113 N -2.64 2.68 0.21 3.44 0.00 0.03 -4.90 107.32 106.13 1srj s GLY 113 Ca 0.33 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 45.94 1srj s GLY 113 CO 0.26 1.85 0.25 -0.51 0.00 0.00 0.00 173.10 174.95 1srj s THR 114 N -0.06 0.01 0.81 0.90 -4.23 -1.26 -5.00 115.64 106.81 1srj s THR 114 Ca 0.53 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 1srj s THR 114 Cb -0.33 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1srj s THR 114 CO 0.37 -0.06 1.11 0.42 -0.54 0.00 0.00 174.62 175.92 1srj s THR 115 N -4.09 2.81 0.44 3.99 -4.23 -1.26 -4.86 115.64 108.44 1srj s THR 115 Ca 0.31 0.26 0.19 0.00 -1.18 0.00 0.00 61.69 61.27 1srj s THR 115 Cb 0.04 -3.05 0.22 0.00 1.34 0.00 0.00 72.50 71.06 1srj s THR 115 CO 0.09 -0.34 2.03 -0.33 -0.54 0.00 0.00 174.62 175.53 1srj h GLU 116 N -1.14 0.00 0.00 3.99 5.08 -2.01 -2.40 114.58 118.11 1srj h GLU 116 Ca -0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1srj h GLU 116 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1srj h GLU 116 CO 0.61 0.16 -0.16 0.00 -1.00 0.00 0.00 179.01 178.62 1srj h ALA 117 N 1.84 1.11 -0.05 3.43 0.00 -2.06 -2.81 119.26 120.71 1srj h ALA 117 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1srj h ALA 117 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1srj h ALA 117 CO 0.02 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1srj n ASN 118 N -3.44 2.18 -0.19 0.00 3.02 -0.94 -4.69 115.26 111.20 1srj n ASN 118 Ca -0.01 -1.59 0.11 0.00 -0.03 0.00 0.00 54.58 53.07 1srj n ASN 118 Cb 0.34 -0.03 0.42 0.00 -0.61 0.00 0.00 39.78 39.90 1srj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1srj h ALA 119 N 2.53 1.89 -0.73 5.41 0.00 -1.18 -2.36 119.26 124.82 1srj h ALA 119 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1srj h ALA 119 Cb 0.56 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1srj h ALA 119 CO 0.00 -0.07 0.48 0.11 0.00 0.00 0.00 179.25 179.77 1srj h TRP 120 N 0.60 0.71 -1.23 0.00 5.08 -1.84 -2.92 115.95 116.36 1srj h TRP 120 Ca 0.36 0.02 -0.61 0.00 1.08 0.00 0.00 58.89 59.74 1srj h TRP 120 Cb 0.58 -0.23 -0.39 0.00 -3.00 0.00 0.00 29.16 26.12 1srj h TRP 120 CO -0.00 0.35 -0.37 0.36 -1.28 0.00 0.00 178.44 177.50 1srj n LYS 121 N -4.49 3.34 0.00 0.12 0.00 -0.89 -4.74 118.16 111.50 1srj n LYS 121 Ca 0.11 -4.13 0.11 0.00 -0.00 0.00 0.00 58.31 54.40 1srj n LYS 121 Cb 0.29 -2.27 0.03 0.00 -0.00 0.00 0.00 35.03 33.08 1srj n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1srj n SER 122 N -0.62 0.86 -4.16 -5.58 3.41 -1.10 -4.92 113.62 101.50 1srj n SER 122 Ca 0.45 -0.74 -0.31 0.00 -0.26 0.00 0.00 58.87 58.01 1srj n SER 122 Cb 0.73 0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 65.19 1srj n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1srj s THR 123 N -2.97 1.90 -0.00 6.66 2.01 -1.26 -1.72 115.64 120.27 1srj s THR 123 Ca 0.10 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1srj s THR 123 Cb 0.17 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1srj s THR 123 CO 0.79 0.52 0.12 -0.76 -0.69 0.00 0.00 174.62 174.60 1srj s LEU 124 N 0.67 4.09 0.07 4.42 1.43 -0.32 -4.95 118.68 124.08 1srj s LEU 124 Ca -0.12 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1srj s LEU 124 Cb -0.16 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1srj s LEU 124 CO 0.02 0.26 -0.23 0.54 0.23 0.00 0.00 176.35 177.17 1srj s VAL 125 N -1.26 1.91 0.13 -1.59 0.11 -1.26 -1.23 120.40 117.21 1srj s VAL 125 Ca 0.25 -1.39 -0.07 0.00 -2.93 0.00 0.00 61.98 57.84 1srj s VAL 125 Cb -0.12 -1.66 0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1srj s VAL 125 CO 0.16 0.20 0.37 0.61 -3.33 0.00 0.00 175.10 173.11 1srj n GLY 126 N 1.58 1.34 2.99 6.54 0.00 -0.63 -4.99 105.19 112.02 1srj n GLY 126 Ca -0.18 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1srj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1srj s HIS 127 N -5.44 -0.03 0.02 1.61 -3.43 -1.26 -0.41 115.29 106.35 1srj s HIS 127 Ca 0.08 0.09 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 1srj s HIS 127 Cb -0.02 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 1srj s HIS 127 CO 0.04 -0.10 -0.10 -0.51 -2.00 0.00 0.00 174.74 172.06 1srj s ASP 128 N -0.37 1.21 -0.16 7.38 1.01 -0.94 -4.96 116.67 119.84 1srj s ASP 128 Ca -0.04 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.88 1srj s ASP 128 Cb -0.03 -0.08 0.01 0.00 1.01 0.00 0.00 42.92 43.83 1srj s ASP 128 CO 0.00 0.02 -0.18 -0.89 0.21 0.00 0.00 175.17 174.33 1srj s THR 129 N -0.67 2.36 -0.12 -1.27 2.01 -1.26 -1.24 115.64 115.46 1srj s THR 129 Ca 0.00 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1srj s THR 129 Cb -0.06 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1srj s THR 129 CO 0.00 0.53 0.02 -0.36 -0.69 0.00 0.00 174.62 174.12 1srj s PHE 130 N 0.96 3.19 0.18 4.92 0.08 0.10 -3.48 117.98 123.93 1srj s PHE 130 Ca -0.03 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.16 1srj s PHE 130 Cb -0.15 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 1srj s PHE 130 CO -0.04 0.36 0.03 0.95 -0.10 0.00 0.00 175.22 176.42 1srj s THR 131 N -0.48 0.52 -2.05 0.64 -4.23 -0.34 -1.38 115.64 108.32 1srj s THR 131 Ca 0.09 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.73 1srj s THR 131 Cb -0.12 -2.21 0.28 0.00 1.34 0.00 0.00 72.50 71.79 1srj s THR 131 CO 0.02 -0.37 1.31 0.29 -0.54 0.00 0.00 174.62 175.32 1srj n LYS 132 N -0.25 1.40 0.00 3.99 5.02 -1.26 -0.01 118.16 127.05 1srj n LYS 132 Ca -0.05 -0.61 0.02 0.00 -2.02 0.00 0.00 58.31 55.65 1srj n LYS 132 Cb 0.64 -1.21 0.02 0.00 -0.02 0.00 0.00 35.03 34.46 1srj n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16