#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srg h GLY 16 N 0.00 -0.96 1.46 0.00 0.00 -2.03 -3.26 103.07 98.28 1srg h GLY 16 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 47.33 47.44 1srg h GLY 16 CO 0.00 -0.35 -1.09 -2.22 0.00 0.00 0.00 176.54 172.88 1srg h ILE 17 N -0.92 1.38 -2.45 2.60 2.04 -1.98 -3.44 117.51 114.74 1srg h ILE 17 Ca -0.09 -2.55 -0.55 0.00 1.00 0.00 0.00 64.86 62.67 1srg h ILE 17 Cb 0.71 2.59 0.05 0.00 -0.74 0.00 0.00 36.82 39.43 1srg h ILE 17 CO 0.14 0.76 1.01 0.41 0.00 0.00 0.00 178.15 180.47 1srg n THR 18 N -3.72 0.19 -2.76 -0.27 -1.04 -1.23 -4.82 114.28 100.62 1srg n THR 18 Ca -0.09 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1srg n THR 18 Cb 0.91 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1srg n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1srg n GLY 19 N 3.98 -0.46 3.42 3.41 0.00 -0.78 -4.66 105.19 110.11 1srg n GLY 19 Ca 0.18 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 1srg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1srg s THR 20 N -2.79 3.52 0.17 2.61 2.01 -1.26 -1.21 115.64 118.69 1srg s THR 20 Ca 0.00 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.58 1srg s THR 20 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1srg s THR 20 CO 0.00 0.49 -0.13 0.26 -0.69 0.00 0.00 174.62 174.55 1srg s TRP 21 N 0.56 1.53 0.01 4.92 0.52 -0.11 -4.61 118.94 121.77 1srg s TRP 21 Ca -0.05 -0.62 0.03 0.00 0.02 0.00 0.00 56.10 55.49 1srg s TRP 21 Cb -0.15 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.41 1srg s TRP 21 CO 0.03 0.24 -0.09 0.71 0.02 0.00 0.00 176.95 177.86 1srg s TYR 22 N -2.87 0.82 0.29 -1.98 1.51 0.18 -0.57 117.35 114.73 1srg s TYR 22 Ca 0.18 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1srg s TYR 22 Cb -0.01 -0.51 0.05 0.00 -0.11 0.00 0.00 41.96 41.39 1srg s TYR 22 CO 0.04 -0.01 0.40 0.27 -1.11 0.00 0.00 175.55 175.14 1srg n ASN 23 N 2.37 0.84 0.23 2.29 0.23 -0.92 -1.24 115.26 119.06 1srg n ASN 23 Ca -0.16 -1.63 0.06 0.00 -0.53 0.00 0.00 54.58 52.31 1srg n ASN 23 Cb 0.56 -0.23 0.53 0.00 -2.08 0.00 0.00 39.78 38.56 1srg n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1srg h GLN 24 N 0.00 0.00 0.00 -3.83 -0.00 -1.92 -2.07 115.11 107.30 1srg h GLN 24 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 1srg h GLN 24 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.04 1srg h GLN 24 CO 0.17 0.17 -0.09 -0.07 -0.00 0.00 0.00 178.83 179.01 1srg h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.94 -3.47 115.31 113.34 1srg h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1srg h LEU 25 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1srg h LEU 25 CO 0.02 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1srg n GLY 26 N 0.78 0.96 3.76 0.83 0.00 -0.78 -4.82 105.19 105.92 1srg n GLY 26 Ca 0.03 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1srg n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1srg s SER 27 N -2.00 5.01 -0.14 1.61 0.01 -1.26 -4.68 113.70 112.25 1srg s SER 27 Ca 0.00 2.10 0.01 0.00 1.31 0.00 0.00 55.95 59.37 1srg s SER 27 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 1srg s SER 27 CO 0.00 -1.70 -0.18 -0.89 0.41 0.00 0.00 173.24 170.88 1srg s THR 28 N -2.18 2.48 -0.31 1.44 2.01 0.82 -2.17 115.64 117.72 1srg s THR 28 Ca 0.69 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 1srg s THR 28 Cb -0.23 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.31 1srg s THR 28 CO 0.40 0.53 0.03 0.12 -0.69 0.00 0.00 174.62 175.01 1srg s PHE 29 N 0.70 3.28 -0.32 4.92 5.36 0.27 -0.65 117.98 131.52 1srg s PHE 29 Ca -0.08 -1.83 -0.11 0.00 -0.96 0.00 0.00 56.93 53.94 1srg s PHE 29 Cb -0.16 -2.19 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1srg s PHE 29 CO 0.01 -0.80 0.20 0.42 -1.46 0.00 0.00 175.22 173.59 1srg s ILE 30 N 1.27 4.99 0.09 3.12 1.01 -0.27 -0.93 121.20 130.48 1srg s ILE 30 Ca -0.04 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1srg s ILE 30 Cb -0.20 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1srg s ILE 30 CO -0.01 0.03 -0.15 0.54 0.00 0.00 0.00 174.94 175.36 1srg s VAL 31 N 1.68 1.23 -0.14 2.92 0.11 -0.35 -1.08 120.40 124.76 1srg s VAL 31 Ca 0.05 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.71 1srg s VAL 31 Cb -0.17 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.47 1srg s VAL 31 CO 0.09 -0.24 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.52 1srg s THR 32 N -1.44 1.96 -0.32 5.04 2.01 0.47 -1.86 115.64 121.50 1srg s THR 32 Ca 0.01 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 1srg s THR 32 Cb -0.09 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1srg s THR 32 CO 0.03 0.53 0.29 0.00 -0.69 0.00 0.00 174.62 174.77 1srg s ALA 33 N 0.90 3.52 0.60 7.40 0.00 -1.26 -1.31 121.76 131.60 1srg s ALA 33 Ca -0.05 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.57 1srg s ALA 33 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1srg s ALA 33 CO -0.03 -0.88 1.04 0.20 0.00 0.00 0.00 175.76 176.09 1srg s GLY 34 N 1.72 1.99 0.44 0.00 0.00 0.19 -4.71 107.32 106.96 1srg s GLY 34 Ca 0.09 0.25 0.18 0.00 0.00 0.00 0.00 44.72 45.25 1srg s GLY 34 CO 0.11 0.55 1.95 0.00 0.00 0.00 0.00 173.10 175.71 1srg h ALA 35 N 0.25 1.41 -0.00 3.20 0.00 -1.99 -2.83 119.26 119.31 1srg h ALA 35 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1srg h ALA 35 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1srg h ALA 35 CO 0.58 0.29 -0.19 -0.40 0.00 0.00 0.00 179.25 179.53 1srg n ASP 36 N -3.97 0.41 0.00 0.00 5.75 -1.26 -4.90 116.55 112.59 1srg n ASP 36 Ca -0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 1srg n ASP 36 Cb 0.31 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1srg n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1srg n GLY 37 N 1.39 1.10 3.82 6.12 0.00 -1.07 -4.91 105.19 111.65 1srg n GLY 37 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1srg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srg s ALA 38 N -2.00 3.50 -0.11 4.61 0.00 -1.26 -1.49 121.76 125.01 1srg s ALA 38 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1srg s ALA 38 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1srg s ALA 38 CO 0.00 0.38 -0.14 -0.51 0.00 0.00 0.00 175.76 175.49 1srg s LEU 39 N -1.87 2.67 0.04 0.00 1.43 -0.58 -0.64 118.68 119.73 1srg s LEU 39 Ca 0.39 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1srg s LEU 39 Cb -0.16 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1srg s LEU 39 CO 0.20 0.21 -0.05 0.42 0.23 0.00 0.00 176.35 177.36 1srg s THR 40 N 0.09 0.33 -3.75 5.49 -4.23 -0.43 -1.77 115.64 111.37 1srg s THR 40 Ca -0.06 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1srg s THR 40 Cb -0.15 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1srg s THR 40 CO 0.05 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1srg n GLY 41 N 1.28 -0.54 3.05 3.99 0.00 -1.09 -0.39 105.19 111.48 1srg n GLY 41 Ca -0.22 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1srg n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1srg s THR 42 N -3.46 0.56 -0.08 2.61 -1.32 -0.24 -1.64 115.64 112.08 1srg s THR 42 Ca 0.00 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.55 1srg s THR 42 Cb 0.00 -0.60 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 1srg s THR 42 CO 0.00 -0.29 -0.14 -0.47 -2.21 0.00 0.00 174.62 171.51 1srg s TYR 43 N -1.16 1.70 -0.22 9.09 6.14 0.47 -1.11 117.35 132.25 1srg s TYR 43 Ca -0.07 -0.68 -0.00 0.00 0.64 0.00 0.00 57.07 56.95 1srg s TYR 43 Cb -0.09 -1.23 0.03 0.00 0.42 0.00 0.00 41.96 41.09 1srg s TYR 43 CO 0.00 -0.34 -0.12 -2.00 0.64 0.00 0.00 175.55 173.74 1srg s GLU 44 N 0.72 2.84 0.30 4.97 2.12 0.17 -0.04 118.70 129.77 1srg s GLU 44 Ca -0.13 -0.96 -0.10 0.00 0.36 0.00 0.00 54.97 54.14 1srg s GLU 44 Cb -0.16 -2.82 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 1srg s GLU 44 CO 0.03 -0.34 0.64 0.45 -0.54 0.00 0.00 175.26 175.50 1srg s SER 45 N 1.29 6.62 0.00 -1.70 0.15 -1.26 -0.13 113.70 118.67 1srg s SER 45 Ca 0.01 1.02 0.14 0.00 0.70 0.00 0.00 55.95 57.82 1srg s SER 45 Cb -0.16 -2.27 0.34 0.00 -1.71 0.00 0.00 66.02 62.23 1srg s SER 45 CO -0.07 -0.19 1.26 0.00 1.20 0.00 0.00 173.24 175.44 1srg n ALA 46 N -0.54 2.29 -3.32 5.45 0.00 -1.26 -4.89 120.51 118.24 1srg n ALA 46 Ca 0.01 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 1srg n ALA 46 Cb 0.53 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 1srg n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1srg s VAL 47 N -1.05 0.00 0.00 0.00 -7.23 -1.26 -5.00 120.40 105.86 1srg s VAL 47 Ca 0.28 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1srg s VAL 47 Cb 0.15 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1srg s VAL 47 CO 0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 1srg n GLY 48 N -0.40 -1.59 2.50 2.32 0.00 -1.26 -4.20 105.19 102.56 1srg n GLY 48 Ca -0.02 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 1srg n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1srg n ASN 49 N -0.40 3.55 -4.98 1.61 4.05 -1.26 -4.87 115.26 112.96 1srg n ASN 49 Ca 0.00 -2.15 -0.20 0.00 0.45 0.00 0.00 54.58 52.67 1srg n ASN 49 Cb 0.00 -0.88 -0.01 0.00 1.23 0.00 0.00 39.78 40.12 1srg n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1srg s ALA 50 N 2.98 4.03 0.00 5.20 0.00 -1.26 -4.75 121.76 127.96 1srg s ALA 50 Ca 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1srg s ALA 50 Cb 0.11 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1srg s ALA 50 CO -0.02 0.07 0.00 -0.85 0.00 0.00 0.00 175.76 174.96 1srg n GLU 51 N -1.57 0.00 0.00 0.00 0.28 -1.26 -5.08 120.64 113.01 1srg n GLU 51 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1srg n GLU 51 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1srg n GLU 51 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1srg n SER 52 N 0.00 0.00 -4.91 -1.84 2.88 -1.26 -4.71 113.62 103.77 1srg n SER 52 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1srg n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1srg n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1srg s ARG 53 N 0.00 3.31 0.12 -1.46 0.52 -1.26 -4.02 118.95 116.16 1srg s ARG 53 Ca 0.00 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1srg s ARG 53 Cb 0.00 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1srg s ARG 53 CO 0.00 0.50 -0.15 0.71 0.02 0.00 0.00 175.30 176.37 1srg s TYR 54 N -1.79 1.49 0.24 -0.53 1.51 0.94 -4.84 117.35 114.37 1srg s TYR 54 Ca 0.34 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.60 1srg s TYR 54 Cb -0.10 -0.78 -0.09 0.00 -0.11 0.00 0.00 41.96 40.87 1srg s TYR 54 CO 0.27 0.17 0.90 0.08 -1.11 0.00 0.00 175.55 175.87 1srg s VAL 55 N -1.93 4.17 0.19 0.71 1.01 -1.26 -0.39 120.40 122.89 1srg s VAL 55 Ca 0.09 1.94 0.07 0.00 0.00 0.00 0.00 61.98 64.07 1srg s VAL 55 Cb -0.06 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1srg s VAL 55 CO 0.04 0.42 -0.14 -1.48 0.00 0.00 0.00 175.10 173.94 1srg s LEU 56 N -1.38 2.55 -0.04 3.92 0.05 -0.65 -4.34 118.68 118.78 1srg s LEU 56 Ca 0.42 -1.01 -0.10 0.00 0.05 0.00 0.00 54.13 53.49 1srg s LEU 56 Cb -0.24 -0.60 0.02 0.00 -2.05 0.00 0.00 46.19 43.32 1srg s LEU 56 CO 0.29 -0.20 0.22 0.28 -0.55 0.00 0.00 176.35 176.39 1srg s THR 57 N -3.01 0.04 0.00 5.48 -1.32 -1.11 -2.69 115.64 113.03 1srg s THR 57 Ca 0.21 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1srg s THR 57 Cb -0.00 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1srg s THR 57 CO 0.05 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1srg n GLY 58 N 2.06 1.94 3.11 6.08 0.00 -0.73 -1.26 105.19 116.40 1srg n GLY 58 Ca -0.18 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 1srg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srg s ARG 59 N -1.98 0.65 0.15 1.61 1.81 -0.68 -1.52 118.95 118.99 1srg s ARG 59 Ca 0.00 -1.13 -0.16 0.00 -1.72 0.00 0.00 55.73 52.73 1srg s ARG 59 Cb 0.00 0.24 0.03 0.00 -0.45 0.00 0.00 34.95 34.76 1srg s ARG 59 CO 0.00 -0.14 0.43 1.52 -0.68 0.00 0.00 175.30 176.42 1srg s TYR 60 N -3.79 -0.10 -0.48 -0.53 1.13 -0.56 -1.44 117.35 111.58 1srg s TYR 60 Ca 0.05 -0.24 -0.27 0.00 -1.41 0.00 0.00 57.07 55.20 1srg s TYR 60 Cb 0.06 0.27 0.03 0.00 -1.10 0.00 0.00 41.96 41.22 1srg s TYR 60 CO -0.10 -0.78 1.06 0.34 -2.51 0.00 0.00 175.55 173.56 1srg s ASP 61 N -2.85 6.55 0.00 -0.18 2.15 -0.67 -4.57 116.67 117.10 1srg s ASP 61 Ca 0.07 0.27 0.24 0.00 0.43 0.00 0.00 52.55 53.55 1srg s ASP 61 Cb 0.01 -2.51 1.16 0.00 -0.30 0.00 0.00 42.92 41.28 1srg s ASP 61 CO -0.07 -1.20 1.78 -1.54 -0.17 0.00 0.00 175.17 173.97 1srg n SER 62 N 7.63 0.78 -3.10 -0.34 3.41 -1.26 -4.08 113.62 116.66 1srg n SER 62 Ca 0.09 -1.43 -0.19 0.00 -0.26 0.00 0.00 58.87 57.08 1srg n SER 62 Cb 0.49 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1srg n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1srg n ALA 63 N -0.32 1.54 -0.72 7.33 0.00 -1.26 -5.01 120.51 122.07 1srg n ALA 63 Ca 0.18 -2.98 -0.29 0.00 0.00 0.00 0.00 53.44 50.34 1srg n ALA 63 Cb 0.21 -0.94 0.20 0.00 0.00 0.00 0.00 19.45 18.92 1srg n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1srg s PRO 64 N -1.14 0.12 0.00 0.00 0.04 -1.26 -5.18 135.00 127.59 1srg s PRO 64 Ca 0.35 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1srg s PRO 64 Cb 0.23 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.12 1srg s PRO 64 CO -0.12 -3.09 0.12 0.00 0.04 0.00 0.00 177.00 173.95 1srg n ALA 65 N -4.50 0.00 -0.12 8.56 0.00 -1.26 -5.17 120.51 118.01 1srg n ALA 65 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 1srg n ALA 65 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 1srg n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1srg n SER 69 N -0.46 1.75 -4.57 0.00 2.88 -1.26 -5.08 113.62 106.88 1srg n SER 69 Ca 0.00 0.30 -0.29 0.00 -1.33 0.00 0.00 58.87 57.56 1srg n SER 69 Cb 0.00 -0.73 0.18 0.00 -0.75 0.00 0.00 64.21 62.91 1srg n SER 69 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1srg s GLY 70 N -5.43 1.57 -0.32 0.46 0.00 -1.26 -5.01 107.32 97.33 1srg s GLY 70 Ca -0.34 -0.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.78 1srg s GLY 70 CO 0.43 0.14 0.13 -1.59 0.00 0.00 0.00 173.10 172.21 1srg s THR 71 N -3.05 4.27 0.38 0.90 2.01 -0.04 -4.90 115.64 115.19 1srg s THR 71 Ca 0.66 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1srg s THR 71 Cb -0.16 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 1srg s THR 71 CO 0.57 0.01 1.22 0.00 -0.69 0.00 0.00 174.62 175.73 1srg s ALA 72 N 1.54 3.27 0.29 7.40 0.00 -1.26 -0.99 121.76 132.01 1srg s ALA 72 Ca 0.03 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 1srg s ALA 72 Cb -0.18 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1srg s ALA 72 CO 0.04 -0.59 0.69 -0.48 0.00 0.00 0.00 175.76 175.43 1srg s LEU 73 N -2.24 -0.13 -0.09 0.00 2.34 -0.49 -1.66 118.68 116.41 1srg s LEU 73 Ca 0.54 -0.73 -0.30 0.00 0.06 0.00 0.00 54.13 53.70 1srg s LEU 73 Cb -0.34 2.60 0.12 0.00 -0.56 0.00 0.00 46.19 48.01 1srg s LEU 73 CO 0.44 -1.37 0.98 -0.83 -1.06 0.00 0.00 176.35 174.52 1srg s GLY 74 N -2.96 -0.36 0.18 -3.48 0.00 -0.52 -1.54 107.32 98.64 1srg s GLY 74 Ca 0.13 1.47 -0.17 0.00 0.00 0.00 0.00 44.72 46.15 1srg s GLY 74 CO 0.08 0.61 0.50 0.66 0.00 0.00 0.00 173.10 174.95 1srg s TRP 75 N -2.32 -0.13 0.04 1.90 -2.14 -0.57 -1.69 118.94 114.04 1srg s TRP 75 Ca 0.04 -0.21 0.05 0.00 2.66 0.00 0.00 56.10 58.64 1srg s TRP 75 Cb -0.01 0.37 -0.02 0.00 -3.10 0.00 0.00 33.47 30.70 1srg s TRP 75 CO -0.05 -0.88 -0.15 0.99 -2.66 0.00 0.00 176.95 174.20 1srg s THR 76 N -3.86 1.21 -0.09 0.66 2.01 -0.39 -0.49 115.64 114.69 1srg s THR 76 Ca 0.08 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.02 1srg s THR 76 Cb -0.00 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.43 1srg s THR 76 CO -0.04 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.12 1srg s VAL 77 N -0.89 0.97 -0.14 3.82 1.01 -0.52 -2.75 120.40 121.90 1srg s VAL 77 Ca 0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 1srg s VAL 77 Cb -0.08 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1srg s VAL 77 CO 0.02 0.34 0.31 0.00 0.00 0.00 0.00 175.10 175.77 1srg s ALA 78 N 1.28 3.61 -1.45 5.51 0.00 -1.26 -1.41 121.76 128.02 1srg s ALA 78 Ca -0.03 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1srg s ALA 78 Cb -0.14 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 1srg s ALA 78 CO -0.03 0.15 2.95 0.91 0.00 0.00 0.00 175.76 179.74 1srg n TRP 79 N 3.33 2.24 -4.25 0.00 7.02 0.21 -4.78 117.44 121.22 1srg n TRP 79 Ca -0.12 -2.93 -0.22 0.00 -1.02 0.00 0.00 57.50 53.20 1srg n TRP 79 Cb 0.52 -2.34 -0.17 0.00 -2.42 0.00 0.00 31.31 26.90 1srg n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1srg s LYS 80 N 1.66 1.18 0.00 -0.99 2.20 -1.26 -1.48 119.74 121.06 1srg s LYS 80 Ca 0.68 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1srg s LYS 80 Cb 0.19 -1.12 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 1srg s LYS 80 CO -0.06 -0.08 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 1srg n ASN 81 N 4.14 0.25 0.13 1.43 0.23 -0.46 -4.78 115.26 116.21 1srg n ASN 81 Ca -0.22 -0.11 0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1srg n ASN 81 Cb 0.51 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.68 1srg n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1srg h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.92 -3.34 115.58 113.20 1srg h ASN 82 Ca 0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 1srg h ASN 82 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1srg h ASN 82 CO 0.00 0.00 -2.16 -1.22 -1.65 0.00 0.00 177.43 172.40 1srg n TYR 83 N -2.31 0.00 -3.86 1.19 4.01 -1.26 -5.07 117.16 109.86 1srg n TYR 83 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 1srg n TYR 83 Cb 0.31 -0.80 -0.05 0.00 -0.31 0.00 0.00 39.34 38.48 1srg n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1srg s ARG 84 N -2.41 1.33 -0.19 -0.72 1.70 -1.25 -5.10 118.95 112.30 1srg s ARG 84 Ca -0.22 -1.04 -0.04 0.00 -0.47 0.00 0.00 55.73 53.96 1srg s ARG 84 Cb 0.06 0.46 0.09 0.00 -0.57 0.00 0.00 34.95 35.00 1srg s ARG 84 CO 0.54 -0.54 0.32 1.21 -1.08 0.00 0.00 175.30 175.75 1srg s ASN 85 N -2.93 0.40 0.00 -2.89 3.84 -1.26 -1.35 114.94 110.75 1srg s ASN 85 Ca 0.14 0.41 0.26 0.00 0.21 0.00 0.00 52.86 53.88 1srg s ASN 85 Cb 0.01 0.89 0.73 0.00 -0.55 0.00 0.00 41.25 42.32 1srg s ASN 85 CO 0.00 -0.27 1.55 0.00 -2.79 0.00 0.00 177.10 175.59 1srg n ALA 86 N 5.36 3.02 -3.68 1.71 0.00 -0.55 -4.96 120.51 121.40 1srg n ALA 86 Ca -0.06 -0.44 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 1srg n ALA 86 Cb 0.50 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.88 1srg n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1srg n HIS 87 N -0.40 -1.92 -3.80 0.00 8.25 -1.26 -4.85 115.22 111.24 1srg n HIS 87 Ca 0.13 0.60 -0.05 0.00 -0.26 0.00 0.00 57.72 58.14 1srg n HIS 87 Cb 0.37 -3.72 -0.01 0.00 1.12 0.00 0.00 29.99 27.75 1srg n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1srg s SER 88 N -3.75 -0.16 -0.08 0.41 1.04 -1.26 -0.95 113.70 108.95 1srg s SER 88 Ca 0.32 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.98 1srg s SER 88 Cb -0.10 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.65 1srg s SER 88 CO 0.85 -1.10 0.49 0.00 0.98 0.00 0.00 173.24 174.46 1srg s ALA 89 N -3.22 -1.26 -0.01 5.32 0.00 -0.57 -0.62 121.76 121.42 1srg s ALA 89 Ca 0.13 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.15 1srg s ALA 89 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1srg s ALA 89 CO 0.05 -0.29 -0.22 0.99 0.00 0.00 0.00 175.76 176.29 1srg s THR 90 N -0.81 2.44 -0.05 0.00 2.01 -0.50 -1.07 115.64 117.65 1srg s THR 90 Ca -0.09 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 60.90 1srg s THR 90 Cb -0.03 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 1srg s THR 90 CO 0.05 0.51 -0.25 0.42 -0.69 0.00 0.00 174.62 174.66 1srg s THR 91 N -0.73 2.08 -0.09 -0.82 -4.23 -0.38 -1.43 115.64 110.05 1srg s THR 91 Ca 0.11 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1srg s THR 91 Cb -0.10 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 1srg s THR 91 CO 0.01 0.57 -0.15 0.26 -0.54 0.00 0.00 174.62 174.77 1srg s TRP 92 N -0.31 2.73 -0.07 3.99 0.51 0.35 -1.63 118.94 124.51 1srg s TRP 92 Ca 0.01 -0.48 0.02 0.00 -2.12 0.00 0.00 56.10 53.52 1srg s TRP 92 Cb -0.13 -1.74 0.01 0.00 -0.81 0.00 0.00 33.47 30.81 1srg s TRP 92 CO 0.02 -0.07 -0.12 0.45 -0.51 0.00 0.00 176.95 176.72 1srg s SER 93 N -0.10 1.78 0.00 2.95 0.15 -0.17 -1.51 113.70 116.81 1srg s SER 93 Ca -0.02 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1srg s SER 93 Cb -0.14 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1srg s SER 93 CO 0.04 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1srg n GLY 94 N 3.89 1.45 3.03 9.45 0.00 -0.59 -1.49 105.19 120.94 1srg n GLY 94 Ca -0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1srg n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1srg s GLN 95 N 1.60 0.38 -0.12 1.61 -2.07 -0.65 -1.39 119.66 119.02 1srg s GLN 95 Ca 0.00 -0.50 -0.12 0.00 -1.82 0.00 0.00 55.36 52.93 1srg s GLN 95 Cb 0.00 0.15 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 1srg s GLN 95 CO 0.00 -0.08 0.25 -0.47 -1.32 0.00 0.00 175.29 173.67 1srg s TYR 96 N -1.38 3.55 -0.17 9.60 5.04 -0.16 -1.12 117.35 132.70 1srg s TYR 96 Ca -0.15 0.62 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1srg s TYR 96 Cb -0.09 -2.19 0.04 0.00 0.35 0.00 0.00 41.96 40.07 1srg s TYR 96 CO 0.00 0.47 -0.05 0.08 -1.34 0.00 0.00 175.55 174.71 1srg s VAL 97 N -0.28 1.12 0.42 3.14 1.01 0.38 -0.86 120.40 125.34 1srg s VAL 97 Ca 0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1srg s VAL 97 Cb -0.13 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 35.03 1srg s VAL 97 CO 0.05 0.11 0.58 0.61 0.00 0.00 0.00 175.10 176.44 1srg n GLY 98 N 4.87 -0.26 0.00 4.51 0.00 -1.26 -1.06 105.19 111.98 1srg n GLY 98 Ca -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1srg n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srg n GLY 99 N 0.92 0.53 0.28 -0.02 0.00 -1.26 -4.66 105.19 100.98 1srg n GLY 99 Ca 0.08 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 1srg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srg h ALA 100 N 0.00 0.96 -2.65 4.61 0.00 -2.07 -3.24 119.26 116.87 1srg h ALA 100 Ca 0.00 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1srg h ALA 100 Cb 0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 17.79 17.19 1srg h ALA 100 CO 0.00 0.16 -0.64 -0.85 0.00 0.00 0.00 179.25 177.91 1srg n GLU 101 N -4.71 1.88 -1.83 0.00 0.28 -1.26 -5.10 120.64 109.90 1srg n GLU 101 Ca 0.09 -4.37 -0.38 0.00 -0.16 0.00 0.00 57.16 52.34 1srg n GLU 101 Cb 0.14 -2.16 0.04 0.00 1.43 0.00 0.00 31.44 30.89 1srg n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1srg s ALA 102 N -1.68 2.79 0.03 -1.84 0.00 -1.23 -4.96 121.76 114.86 1srg s ALA 102 Ca 0.31 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 1srg s ALA 102 Cb 0.04 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1srg s ALA 102 CO -0.11 -1.33 0.28 1.03 0.00 0.00 0.00 175.76 175.63 1srg s ARG 103 N -2.94 0.74 -0.24 0.00 0.52 -0.22 -4.42 118.95 112.40 1srg s ARG 103 Ca 0.72 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.49 1srg s ARG 103 Cb -0.39 0.32 0.04 0.00 0.52 0.00 0.00 34.95 35.44 1srg s ARG 103 CO 0.46 -0.23 -0.12 0.42 0.02 0.00 0.00 175.30 175.85 1srg s ILE 104 N -2.22 2.34 -0.23 1.52 1.01 -0.75 -0.47 121.20 122.41 1srg s ILE 104 Ca -0.07 -1.30 -0.10 0.00 0.00 0.00 0.00 60.65 59.18 1srg s ILE 104 Cb -0.02 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1srg s ILE 104 CO -0.01 0.17 0.14 0.20 0.00 0.00 0.00 174.94 175.44 1srg s ASN 105 N 1.21 6.00 0.14 3.58 0.01 -0.28 -0.53 114.94 125.08 1srg s ASN 105 Ca -0.03 0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.25 1srg s ASN 105 Cb -0.17 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1srg s ASN 105 CO -0.07 0.08 -0.06 0.42 -1.51 0.00 0.00 177.10 175.97 1srg s THR 106 N 0.94 0.90 0.13 1.60 -4.23 -0.07 -1.63 115.64 113.29 1srg s THR 106 Ca 0.07 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1srg s THR 106 Cb -0.13 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1srg s THR 106 CO 0.03 -0.69 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.06 1srg s GLN 107 N -3.82 1.39 0.10 3.99 -0.21 -0.55 -1.66 119.66 118.89 1srg s GLN 107 Ca 0.18 -1.35 0.02 0.00 0.02 0.00 0.00 55.36 54.23 1srg s GLN 107 Cb 0.04 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 1srg s GLN 107 CO 0.00 0.44 -0.07 1.67 -2.12 0.00 0.00 175.29 175.21 1srg s TRP 108 N -1.11 0.91 -0.06 0.91 1.48 0.37 -1.00 118.94 120.45 1srg s TRP 108 Ca 0.14 -0.84 0.02 0.00 -1.06 0.00 0.00 56.10 54.36 1srg s TRP 108 Cb -0.10 -0.52 0.01 0.00 -1.16 0.00 0.00 33.47 31.70 1srg s TRP 108 CO 0.06 -0.11 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.22 1srg s LEU 109 N -2.86 1.61 -0.25 -4.66 1.43 -0.65 -1.79 118.68 111.52 1srg s LEU 109 Ca 0.10 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1srg s LEU 109 Cb 0.03 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.50 1srg s LEU 109 CO -0.03 0.02 -0.11 -0.22 0.23 0.00 0.00 176.35 176.24 1srg s LEU 110 N 0.70 3.19 -0.13 1.79 2.96 -0.17 -1.24 118.68 125.79 1srg s LEU 110 Ca -0.14 -1.14 -0.03 0.00 -0.22 0.00 0.00 54.13 52.60 1srg s LEU 110 Cb -0.16 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1srg s LEU 110 CO 0.03 -0.15 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.00 1srg s THR 111 N 1.20 4.08 0.03 3.68 2.01 -0.23 -0.93 115.64 125.46 1srg s THR 111 Ca -0.04 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1srg s THR 111 Cb -0.18 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1srg s THR 111 CO -0.06 0.54 0.16 -0.44 -0.69 0.00 0.00 174.62 174.13 1srg s SER 112 N -0.16 6.16 -0.01 3.53 0.01 -0.54 -1.50 113.70 121.18 1srg s SER 112 Ca 0.04 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.24 1srg s SER 112 Cb -0.13 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1srg s SER 112 CO 0.02 0.22 1.24 -0.83 0.41 0.00 0.00 173.24 174.31 1srg s GLY 113 N -2.16 2.12 0.24 3.44 0.00 -0.12 -4.88 107.32 105.96 1srg s GLY 113 Ca 0.29 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.76 1srg s GLY 113 CO 0.22 2.24 0.08 -0.51 0.00 0.00 0.00 173.10 175.12 1srg s THR 114 N 1.97 0.57 0.90 0.90 -4.23 -1.26 -5.00 115.64 109.48 1srg s THR 114 Ca 0.58 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1srg s THR 114 Cb -0.27 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.15 1srg s THR 114 CO 0.25 -0.08 1.11 0.42 -0.54 0.00 0.00 174.62 175.77 1srg s THR 115 N -3.75 2.40 0.42 3.99 -4.23 -1.26 -4.86 115.64 108.35 1srg s THR 115 Ca 0.35 0.13 0.12 0.00 -1.18 0.00 0.00 61.69 61.11 1srg s THR 115 Cb 0.07 -2.79 0.18 0.00 1.34 0.00 0.00 72.50 71.30 1srg s THR 115 CO 0.12 -0.17 1.96 -0.33 -0.54 0.00 0.00 174.62 175.66 1srg h GLU 116 N -1.47 0.15 0.00 3.99 5.08 -2.01 -2.31 114.58 118.01 1srg h GLU 116 Ca -0.50 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1srg h GLU 116 Cb 1.31 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1srg h GLU 116 CO 0.59 0.29 -0.04 0.00 -1.00 0.00 0.00 179.01 178.86 1srg h ALA 117 N 1.73 1.03 -0.01 3.43 0.00 -2.07 -2.77 119.26 120.60 1srg h ALA 117 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1srg h ALA 117 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1srg h ALA 117 CO 0.02 0.04 -0.03 0.09 0.00 0.00 0.00 179.25 179.38 1srg n ASN 118 N -3.18 1.65 -0.04 0.00 3.02 -0.94 -4.66 115.26 111.11 1srg n ASN 118 Ca -0.00 -1.33 0.14 0.00 -0.03 0.00 0.00 54.58 53.36 1srg n ASN 118 Cb 0.27 0.07 0.56 0.00 -0.61 0.00 0.00 39.78 40.07 1srg n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1srg h ALA 119 N 1.73 2.15 0.00 5.41 0.00 -1.13 -1.17 119.26 126.25 1srg h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1srg h ALA 119 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1srg h ALA 119 CO 0.00 -0.28 -0.03 0.11 0.00 0.00 0.00 179.25 179.05 1srg h TRP 120 N 0.27 0.00 -0.69 0.00 5.08 -1.83 -2.66 115.95 116.12 1srg h TRP 120 Ca 0.26 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.73 1srg h TRP 120 Cb 0.65 0.00 -0.35 0.00 -3.00 0.00 0.00 29.16 26.45 1srg h TRP 120 CO -0.00 0.03 -0.52 0.36 -1.28 0.00 0.00 178.44 177.03 1srg n LYS 121 N -4.13 3.21 0.00 0.12 -0.00 -0.44 -4.73 118.16 112.18 1srg n LYS 121 Ca -0.03 -3.92 0.12 0.00 -0.00 0.00 0.00 58.31 54.48 1srg n LYS 121 Cb 0.12 -2.20 0.23 0.00 -0.00 0.00 0.00 35.03 33.18 1srg n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1srg n SER 122 N -0.80 0.73 -4.06 -5.58 3.41 -1.01 -4.89 113.62 101.42 1srg n SER 122 Ca 0.44 -0.52 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 1srg n SER 122 Cb 0.91 0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 65.01 1srg n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1srg s THR 123 N -2.87 1.69 0.18 6.66 2.01 -1.26 -1.47 115.64 120.59 1srg s THR 123 Ca 0.14 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1srg s THR 123 Cb 0.18 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 71.07 1srg s THR 123 CO 0.67 0.48 0.43 -0.76 -0.69 0.00 0.00 174.62 174.75 1srg s LEU 124 N 1.28 4.22 0.03 4.42 1.43 -0.11 -4.91 118.68 125.04 1srg s LEU 124 Ca 0.01 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 1srg s LEU 124 Cb -0.14 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1srg s LEU 124 CO -0.08 -0.01 -0.18 0.54 0.23 0.00 0.00 176.35 176.86 1srg s VAL 125 N -1.75 1.40 0.09 -1.59 0.11 -1.26 -0.99 120.40 116.40 1srg s VAL 125 Ca 0.42 -1.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.41 1srg s VAL 125 Cb -0.12 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1srg s VAL 125 CO 0.25 0.18 0.24 0.61 -3.33 0.00 0.00 175.10 173.05 1srg n GLY 126 N 2.07 1.53 2.94 6.54 0.00 -0.74 -5.00 105.19 112.54 1srg n GLY 126 Ca -0.17 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 1srg n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1srg s HIS 127 N -6.47 0.35 0.02 1.61 -3.43 -1.26 -0.48 115.29 105.63 1srg s HIS 127 Ca 0.05 -0.12 0.04 0.00 -0.80 0.00 0.00 55.06 54.23 1srg s HIS 127 Cb -0.01 -0.22 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 1srg s HIS 127 CO 0.03 -0.02 -0.11 -0.51 -2.00 0.00 0.00 174.74 172.12 1srg s ASP 128 N -0.28 1.33 -0.15 7.38 1.01 -0.67 -4.95 116.67 120.35 1srg s ASP 128 Ca -0.00 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.94 1srg s ASP 128 Cb -0.03 -0.10 0.00 0.00 1.01 0.00 0.00 42.92 43.80 1srg s ASP 128 CO -0.00 0.05 -0.17 -0.89 0.21 0.00 0.00 175.17 174.38 1srg s THR 129 N -0.59 2.53 -0.10 -1.27 2.01 -1.26 -0.89 115.64 116.06 1srg s THR 129 Ca 0.02 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 1srg s THR 129 Cb -0.06 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1srg s THR 129 CO 0.00 0.52 0.03 -0.36 -0.69 0.00 0.00 174.62 174.13 1srg s PHE 130 N 0.84 3.25 0.24 4.92 0.08 0.31 -3.54 117.98 124.08 1srg s PHE 130 Ca -0.05 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.25 1srg s PHE 130 Cb -0.15 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1srg s PHE 130 CO -0.01 0.50 0.14 0.95 -0.10 0.00 0.00 175.22 176.70 1srg s THR 131 N -0.82 0.15 -2.26 0.64 -4.23 -0.37 -1.80 115.64 106.95 1srg s THR 131 Ca 0.13 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.88 1srg s THR 131 Cb -0.12 -2.53 0.56 0.00 1.34 0.00 0.00 72.50 71.76 1srg s THR 131 CO 0.03 0.00 1.73 0.29 -0.54 0.00 0.00 174.62 176.13 1srg n LYS 132 N -0.38 1.48 0.00 3.99 5.02 -1.26 0.48 118.16 127.49 1srg n LYS 132 Ca 0.02 -0.71 0.13 0.00 -2.02 0.00 0.00 58.31 55.73 1srg n LYS 132 Cb 0.66 -1.42 0.36 0.00 -0.02 0.00 0.00 35.03 34.61 1srg n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16