#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yna n THR 3 N 0.00 0.17 -1.77 12.58 -1.04 -0.79 -4.91 114.28 118.52 1yna n THR 3 Ca 0.00 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.60 1yna n THR 3 Cb 0.00 -1.69 0.06 0.00 -1.82 0.00 0.00 70.33 66.88 1yna n THR 3 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1yna s PRO 4 N 1.84 2.78 0.34 -2.82 0.02 -1.26 -4.89 135.00 131.01 1yna s PRO 4 Ca 0.82 2.12 -0.27 0.00 0.02 0.00 0.00 61.00 63.69 1yna s PRO 4 Cb -0.66 -2.00 -0.13 0.00 0.02 0.00 0.00 34.50 31.74 1yna s PRO 4 CO 0.41 -1.44 1.08 0.09 -0.33 0.00 0.00 177.00 176.81 1yna n ASN 5 N -1.58 1.66 -3.55 2.53 3.02 -1.26 -4.96 115.26 111.12 1yna n ASN 5 Ca 0.14 1.14 -0.17 0.00 -0.03 0.00 0.00 54.58 55.66 1yna n ASN 5 Cb 0.47 -1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.22 1yna n ASN 5 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1yna s SER 6 N -0.55 -0.58 -0.12 6.41 0.15 -0.75 -5.03 113.70 113.24 1yna s SER 6 Ca 0.59 0.56 -0.17 0.00 0.70 0.00 0.00 55.95 57.63 1yna s SER 6 Cb -0.62 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1yna s SER 6 CO 0.60 -0.62 0.44 -0.70 1.20 0.00 0.00 173.24 174.16 1yna s GLU 7 N -1.45 0.62 0.00 5.44 2.12 -1.26 -0.68 118.70 123.49 1yna s GLU 7 Ca -0.10 0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1yna s GLU 7 Cb -0.01 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1yna s GLU 7 CO 0.07 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1yna n GLY 8 N 2.25 -0.20 3.75 -1.50 0.00 -0.81 -5.01 105.19 103.67 1yna n GLY 8 Ca -0.16 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1yna n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yna s TRP 9 N -3.68 3.28 -0.19 1.61 0.52 -1.26 -0.62 118.94 118.59 1yna s TRP 9 Ca 0.00 0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 1yna s TRP 9 Cb 0.00 -1.79 0.09 0.00 -1.15 0.00 0.00 33.47 30.62 1yna s TRP 9 CO 0.00 0.55 0.30 -1.58 0.02 0.00 0.00 176.95 176.24 1yna s HIS 10 N -1.03 -0.54 -1.46 -1.98 2.46 0.27 -4.94 115.29 108.06 1yna s HIS 10 Ca 0.17 0.81 -0.07 0.00 0.47 0.00 0.00 55.06 56.44 1yna s HIS 10 Cb -0.12 -0.06 0.01 0.00 -0.13 0.00 0.00 32.58 32.28 1yna s HIS 10 CO 0.07 -0.54 0.90 -0.25 -2.47 0.00 0.00 174.74 172.45 1yna n ASP 11 N 5.35 -6.28 0.00 9.88 9.92 -1.26 -1.65 116.55 132.51 1yna n ASP 11 Ca -0.06 -0.41 0.00 0.00 -0.53 0.00 0.00 54.79 53.79 1yna n ASP 11 Cb 0.50 -5.00 0.00 0.00 -0.64 0.00 0.00 41.12 35.97 1yna n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yna n GLY 12 N -1.77 1.78 3.65 0.44 0.00 -1.26 -4.61 105.19 103.41 1yna n GLY 12 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1yna n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yna s TYR 13 N -2.79 2.93 0.45 1.61 1.51 -0.66 -5.03 117.35 115.37 1yna s TYR 13 Ca 0.00 -0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.81 1yna s TYR 13 Cb 0.00 -1.54 -0.10 0.00 -0.11 0.00 0.00 41.96 40.21 1yna s TYR 13 CO 0.00 0.45 0.97 -0.47 -1.11 0.00 0.00 175.55 175.39 1yna s TYR 14 N -1.22 3.26 0.02 2.71 5.04 -0.08 -0.57 117.35 126.52 1yna s TYR 14 Ca 0.23 1.59 -0.05 0.00 -2.44 0.00 0.00 57.07 56.40 1yna s TYR 14 Cb -0.11 -2.89 -0.01 0.00 0.35 0.00 0.00 41.96 39.30 1yna s TYR 14 CO 0.15 -0.28 0.08 1.52 -1.34 0.00 0.00 175.55 175.68 1yna s TYR 15 N -2.18 0.18 -0.03 4.97 1.13 0.20 -0.35 117.35 121.27 1yna s TYR 15 Ca 0.63 -0.42 0.01 0.00 -1.41 0.00 0.00 57.07 55.87 1yna s TYR 15 Cb -0.11 -0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.64 1yna s TYR 15 CO 0.16 -0.31 -0.03 0.45 -2.51 0.00 0.00 175.55 173.31 1yna s SER 16 N -1.82 0.66 -0.07 -0.18 0.15 -0.73 -1.92 113.70 109.79 1yna s SER 16 Ca -0.09 -0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 1yna s SER 16 Cb -0.04 -0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1yna s SER 16 CO -0.02 -0.03 -0.03 0.86 1.20 0.00 0.00 173.24 175.22 1yna s TRP 17 N 0.60 0.82 -0.06 3.44 -0.11 0.15 -1.29 118.94 122.50 1yna s TRP 17 Ca -0.07 -0.27 -0.04 0.00 1.22 0.00 0.00 56.10 56.95 1yna s TRP 17 Cb -0.10 -0.82 0.02 0.00 -1.50 0.00 0.00 33.47 31.07 1yna s TRP 17 CO -0.00 -0.31 0.14 -0.46 -4.62 0.00 0.00 176.95 171.69 1yna s TRP 18 N 1.57 -0.15 0.06 5.86 -0.00 -0.08 -1.80 118.94 124.39 1yna s TRP 18 Ca -0.01 0.41 -0.03 0.00 -0.00 0.00 0.00 56.10 56.48 1yna s TRP 18 Cb -0.13 -0.01 -0.03 0.00 -0.00 0.00 0.00 33.47 33.30 1yna s TRP 18 CO -0.04 -0.11 0.02 -1.54 -0.00 0.00 0.00 176.95 175.28 1yna s SER 19 N 0.58 0.40 0.00 5.86 1.04 -1.26 -0.12 113.70 120.20 1yna s SER 19 Ca -0.04 -0.90 0.31 0.00 0.48 0.00 0.00 55.95 55.80 1yna s SER 19 Cb -0.06 0.23 1.78 0.00 0.10 0.00 0.00 66.02 68.07 1yna s SER 19 CO -0.03 -0.61 2.16 -0.90 0.98 0.00 0.00 173.24 174.84 1yna n ASP 20 N 0.14 0.21 0.00 7.02 5.68 -0.59 -4.90 116.55 124.11 1yna n ASP 20 Ca -0.15 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1yna n ASP 20 Cb 0.61 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1yna n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yna n GLY 21 N 1.03 1.88 0.14 6.12 0.00 -1.26 -4.88 105.19 108.22 1yna n GLY 21 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1yna n GLY 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yna h GLY 22 N 0.00 0.00 -3.98 -0.02 0.00 -1.91 -3.46 103.07 93.70 1yna h GLY 22 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1yna h GLY 22 CO 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.25 1yna s ALA 23 N -3.23 3.77 -0.18 3.60 0.00 -1.24 -4.16 121.76 120.32 1yna s ALA 23 Ca 0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 1yna s ALA 23 Cb 0.08 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 1yna s ALA 23 CO 0.76 0.56 0.98 -1.14 0.00 0.00 0.00 175.76 176.92 1yna s GLN 24 N -2.94 4.31 -0.22 0.00 0.74 -1.23 -4.78 119.66 115.55 1yna s GLN 24 Ca 0.41 1.29 -0.26 0.00 0.05 0.00 0.00 55.36 56.85 1yna s GLN 24 Cb -0.12 -3.60 0.07 0.00 1.10 0.00 0.00 33.01 30.47 1yna s GLN 24 CO 0.26 -0.48 0.73 0.00 -0.55 0.00 0.00 175.29 175.26 1yna s ALA 25 N 2.65 -1.79 -0.14 1.58 0.00 -1.26 -0.50 121.76 122.30 1yna s ALA 25 Ca 0.44 1.86 0.01 0.00 0.00 0.00 0.00 51.96 54.27 1yna s ALA 25 Cb -0.16 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1yna s ALA 25 CO 0.11 -0.34 -0.17 0.99 0.00 0.00 0.00 175.76 176.34 1yna s THR 26 N -0.00 1.76 -0.15 0.00 2.01 0.61 -1.88 115.64 118.00 1yna s THR 26 Ca -0.02 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 1yna s THR 26 Cb -0.04 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1yna s THR 26 CO 0.03 0.49 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.90 1yna s TYR 27 N 1.14 2.93 -0.05 4.92 6.14 -1.26 -1.20 117.35 129.97 1yna s TYR 27 Ca -0.01 -0.46 0.01 0.00 0.64 0.00 0.00 57.07 57.25 1yna s TYR 27 Cb -0.14 -1.91 0.02 0.00 0.42 0.00 0.00 41.96 40.35 1yna s TYR 27 CO -0.06 -0.12 -0.06 0.99 0.64 0.00 0.00 175.55 176.94 1yna s THR 28 N 0.37 0.65 -0.26 4.34 2.01 0.24 -4.96 115.64 118.03 1yna s THR 28 Ca -0.07 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 1yna s THR 28 Cb -0.15 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.71 1yna s THR 28 CO 0.04 0.25 1.06 0.20 -0.69 0.00 0.00 174.62 175.49 1yna s ASN 29 N 0.97 7.04 0.33 3.53 0.01 -1.26 -1.00 114.94 124.55 1yna s ASN 29 Ca -0.10 1.28 0.01 0.00 -0.71 0.00 0.00 52.86 53.33 1yna s ASN 29 Cb -0.14 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.00 1yna s ASN 29 CO 0.00 -0.75 0.17 0.18 -1.51 0.00 0.00 177.10 175.19 1yna n LEU 30 N 6.52 0.00 -4.79 0.60 4.77 -0.39 -4.99 117.00 118.72 1yna n LEU 30 Ca 0.12 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.36 1yna n LEU 30 Cb 0.46 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1yna n LEU 30 CO 0.55 -0.57 0.73 -1.61 -1.33 0.00 0.00 177.39 175.16 1yna s GLU 31 N -2.74 3.37 7.98 3.23 0.41 -1.26 -4.47 118.70 125.22 1yna s GLU 31 Ca 0.12 1.34 0.00 0.00 -0.41 0.00 0.00 54.97 56.02 1yna s GLU 31 Cb -0.01 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.31 1yna s GLU 31 CO 0.08 -0.79 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 1yna n GLY 32 N -0.53 3.65 1.38 -1.39 0.00 -1.26 -2.08 105.19 104.96 1yna n GLY 32 Ca 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1yna n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yna n GLY 33 N 0.00 2.46 3.77 -0.02 0.00 -1.26 -4.73 105.19 105.41 1yna n GLY 33 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1yna n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yna s THR 34 N -2.09 4.93 0.14 2.61 2.01 -0.89 -0.94 115.64 121.41 1yna s THR 34 Ca 0.34 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1yna s THR 34 Cb 0.26 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1yna s THR 34 CO 0.10 0.60 0.05 -0.72 -0.69 0.00 0.00 174.62 173.96 1yna s TYR 35 N -0.84 0.94 -0.02 4.92 1.13 -0.34 -1.26 117.35 121.89 1yna s TYR 35 Ca 0.13 -1.20 -0.01 0.00 -1.41 0.00 0.00 57.07 54.58 1yna s TYR 35 Cb -0.12 -0.53 0.02 0.00 -1.10 0.00 0.00 41.96 40.23 1yna s TYR 35 CO 0.03 -0.47 0.04 -2.00 -2.51 0.00 0.00 175.55 170.64 1yna s GLU 36 N -4.03 0.01 -0.06 -3.49 2.12 -0.17 -1.55 118.70 111.53 1yna s GLU 36 Ca 0.25 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.72 1yna s GLU 36 Cb 0.07 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.37 1yna s GLU 36 CO 0.03 -0.08 -0.09 0.42 -0.54 0.00 0.00 175.26 174.99 1yna s ILE 37 N 0.53 0.92 -0.09 -3.70 1.01 0.11 -0.59 121.20 119.39 1yna s ILE 37 Ca -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1yna s ILE 37 Cb -0.06 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1yna s ILE 37 CO -0.02 0.31 -0.16 -0.55 0.00 0.00 0.00 174.94 174.52 1yna s SER 38 N 0.75 2.33 0.03 3.58 0.15 -0.34 -0.72 113.70 119.47 1yna s SER 38 Ca -0.13 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 1yna s SER 38 Cb -0.15 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.07 1yna s SER 38 CO 0.02 0.07 -0.02 -1.66 1.20 0.00 0.00 173.24 172.85 1yna s TRP 39 N 0.64 0.34 0.45 3.44 -2.14 -0.59 -0.28 118.94 120.80 1yna s TRP 39 Ca -0.14 -0.71 0.03 0.00 2.66 0.00 0.00 56.10 57.94 1yna s TRP 39 Cb -0.16 -0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 29.93 1yna s TRP 39 CO 0.04 -0.26 0.09 0.20 -2.66 0.00 0.00 176.95 174.36 1yna s GLY 40 N -1.98 2.79 0.82 3.67 0.00 0.35 -1.14 107.32 111.83 1yna s GLY 40 Ca -0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.61 1yna s GLY 40 CO -0.04 -1.95 1.16 1.34 0.00 0.00 0.00 173.10 173.61 1yna n ASP 41 N -1.34 0.86 0.00 1.64 -0.08 -0.60 -3.96 116.55 113.07 1yna n ASP 41 Ca -0.11 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1yna n ASP 41 Cb 0.65 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1yna n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yna n GLY 42 N 0.58 1.16 0.00 0.27 0.00 -1.26 -3.48 105.19 102.46 1yna n GLY 42 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1yna n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yna n GLY 43 N 0.00 -1.00 3.82 -0.02 0.00 -1.26 -3.61 105.19 103.12 1yna n GLY 43 Ca 0.00 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1yna n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yna s ASN 44 N -4.00 6.51 -0.03 1.61 3.04 -1.26 -1.50 114.94 119.31 1yna s ASN 44 Ca 0.00 0.60 -0.12 0.00 0.04 0.00 0.00 52.86 53.38 1yna s ASN 44 Cb 0.00 -2.15 0.02 0.00 -1.54 0.00 0.00 41.25 37.58 1yna s ASN 44 CO 0.00 0.29 0.26 -1.48 -3.04 0.00 0.00 177.10 173.13 1yna s LEU 45 N -0.54 1.05 -0.16 3.21 0.05 -0.41 -1.55 118.68 120.32 1yna s LEU 45 Ca 0.17 0.11 -0.09 0.00 0.05 0.00 0.00 54.13 54.37 1yna s LEU 45 Cb -0.14 1.05 0.06 0.00 -2.05 0.00 0.00 46.19 45.11 1yna s LEU 45 CO 0.06 -0.35 0.39 0.54 -0.55 0.00 0.00 176.35 176.44 1yna s VAL 46 N -1.04 -0.06 0.13 1.48 0.11 0.83 -1.45 120.40 120.40 1yna s VAL 46 Ca -0.11 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1yna s VAL 46 Cb -0.05 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1yna s VAL 46 CO 0.03 0.04 0.38 -0.83 -3.33 0.00 0.00 175.10 171.39 1yna s GLY 47 N 1.45 -0.21 0.00 6.54 0.00 -0.76 -0.90 107.32 113.44 1yna s GLY 47 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1yna s GLY 47 CO -0.12 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.22 1yna n GLY 48 N -0.22 -0.43 3.49 0.20 0.00 -0.41 -1.14 105.19 106.69 1yna n GLY 48 Ca -0.15 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 1yna n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yna s LYS 49 N -2.00 1.75 0.00 1.61 1.02 -1.24 -1.77 119.74 119.12 1yna s LYS 49 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.42 1yna s LYS 49 Cb 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1yna s LYS 49 CO 0.00 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 1yna n GLY 50 N -0.25 -0.40 3.16 -3.33 0.00 0.53 -1.07 105.19 103.83 1yna n GLY 50 Ca -0.09 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1yna n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yna s TRP 51 N 0.00 0.89 -0.25 1.61 0.51 -0.04 -0.90 118.94 120.76 1yna s TRP 51 Ca 0.00 -0.84 -0.04 0.00 -2.12 0.00 0.00 56.10 53.10 1yna s TRP 51 Cb 0.00 -0.51 0.14 0.00 -0.81 0.00 0.00 33.47 32.29 1yna s TRP 51 CO 0.00 -0.12 0.48 1.21 -0.51 0.00 0.00 176.95 178.00 1yna s ASN 52 N -2.83 -0.45 0.58 2.95 3.84 -1.26 -0.45 114.94 117.32 1yna s ASN 52 Ca 0.09 0.73 -0.10 0.00 0.21 0.00 0.00 52.86 53.80 1yna s ASN 52 Cb 0.03 1.58 -0.04 0.00 -0.55 0.00 0.00 41.25 42.27 1yna s ASN 52 CO -0.04 -0.26 0.97 -2.16 -2.79 0.00 0.00 177.10 172.81 1yna s PRO 53 N 2.68 3.60 0.98 0.43 0.04 -1.26 -5.02 135.00 136.45 1yna s PRO 53 Ca 0.09 0.62 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 1yna s PRO 53 Cb -0.14 -2.16 0.17 0.00 0.04 0.00 0.00 34.50 32.42 1yna s PRO 53 CO -0.17 -0.46 1.11 0.20 0.04 0.00 0.00 177.00 177.72 1yna s GLY 54 N -4.11 1.57 0.13 0.56 0.00 0.42 -4.85 107.32 101.04 1yna s GLY 54 Ca 0.53 -0.47 0.09 0.00 0.00 0.00 0.00 44.72 44.87 1yna s GLY 54 CO 0.51 0.13 -0.21 1.08 0.00 0.00 0.00 173.10 174.61 1yna s LEU 55 N -6.31 2.36 0.40 0.66 1.43 -1.26 -4.77 118.68 111.19 1yna s LEU 55 Ca 0.65 -0.77 0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1yna s LEU 55 Cb -0.17 -0.93 0.85 0.00 0.03 0.00 0.00 46.19 45.98 1yna s LEU 55 CO 0.56 0.05 1.89 0.78 0.23 0.00 0.00 176.35 179.86 1yna h ASN 56 N 3.71 0.00 -3.52 2.29 4.21 -1.96 -3.38 115.58 116.93 1yna h ASN 56 Ca -0.45 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.44 1yna h ASN 56 Cb 1.19 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.99 1yna h ASN 56 CO 0.44 0.30 -0.73 0.00 -1.29 0.00 0.00 177.43 176.14 1yna s ALA 57 N -4.31 2.16 -0.02 -0.83 0.00 -1.26 -1.66 121.76 115.84 1yna s ALA 57 Ca -0.03 -2.59 0.05 0.00 0.00 0.00 0.00 51.96 49.40 1yna s ALA 57 Cb 0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 1yna s ALA 57 CO 0.71 -2.06 -0.18 0.50 0.00 0.00 0.00 175.76 174.73 1yna s ARG 58 N 0.38 1.50 -0.55 0.00 3.52 -1.26 -4.87 118.95 117.67 1yna s ARG 58 Ca 0.17 -0.64 -0.21 0.00 -0.13 0.00 0.00 55.73 54.93 1yna s ARG 58 Cb -0.24 -1.43 0.06 0.00 -1.56 0.00 0.00 34.95 31.78 1yna s ARG 58 CO 0.00 0.37 0.76 0.00 -0.81 0.00 0.00 175.30 175.61 1yna s ALA 59 N -0.36 3.30 -0.22 6.12 0.00 -1.26 -1.84 121.76 127.50 1yna s ALA 59 Ca 0.05 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.23 1yna s ALA 59 Cb -0.08 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1yna s ALA 59 CO -0.00 -2.25 0.08 0.42 0.00 0.00 0.00 175.76 174.01 1yna s ILE 60 N 3.14 4.67 -0.03 0.00 1.01 0.54 -1.39 121.20 129.14 1yna s ILE 60 Ca 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1yna s ILE 60 Cb -0.18 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1yna s ILE 60 CO 0.13 0.38 -0.00 -2.28 0.00 0.00 0.00 174.94 173.16 1yna s HIS 61 N 1.04 3.09 0.01 3.97 2.46 0.55 0.46 115.29 126.88 1yna s HIS 61 Ca 0.05 0.11 -0.06 0.00 0.47 0.00 0.00 55.06 55.62 1yna s HIS 61 Cb -0.14 -1.70 -0.00 0.00 -0.13 0.00 0.00 32.58 30.60 1yna s HIS 61 CO 0.03 0.45 0.11 -0.59 -2.47 0.00 0.00 174.74 172.27 1yna s PHE 62 N -1.01 0.09 0.20 3.88 -0.71 -0.54 -1.04 117.98 118.85 1yna s PHE 62 Ca 0.17 -0.24 -0.23 0.00 -1.04 0.00 0.00 56.93 55.59 1yna s PHE 62 Cb -0.11 -0.08 0.05 0.00 -1.21 0.00 0.00 43.02 41.67 1yna s PHE 62 CO 0.07 -0.28 0.74 -1.83 -1.34 0.00 0.00 175.22 172.58 1yna s GLU 63 N -1.53 1.45 0.00 1.99 -1.05 -0.84 -1.35 118.70 117.36 1yna s GLU 63 Ca -0.14 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 1yna s GLU 63 Cb -0.07 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1yna s GLU 63 CO 0.01 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 175.97 1yna n GLY 64 N -0.42 0.73 3.52 -3.83 0.00 -1.26 -0.96 105.19 102.97 1yna n GLY 64 Ca -0.09 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1yna n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yna s VAL 65 N -3.74 4.30 -0.30 1.61 1.01 0.30 -4.94 120.40 118.64 1yna s VAL 65 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1yna s VAL 65 Cb 0.00 -2.94 0.10 0.00 0.00 0.00 0.00 36.38 33.53 1yna s VAL 65 CO 0.00 0.43 0.10 -0.47 0.00 0.00 0.00 175.10 175.16 1yna s TYR 66 N 0.78 1.38 -0.55 5.22 5.04 -1.26 -0.57 117.35 127.39 1yna s TYR 66 Ca 0.02 -1.51 0.06 0.00 -2.44 0.00 0.00 57.07 53.20 1yna s TYR 66 Cb -0.14 -1.50 0.23 0.00 0.35 0.00 0.00 41.96 40.90 1yna s TYR 66 CO 0.02 -0.85 0.61 1.04 -1.34 0.00 0.00 175.55 175.03 1yna n GLN 67 N 4.94 1.66 -2.11 4.97 6.02 0.44 -5.03 117.38 128.28 1yna n GLN 67 Ca -0.03 -4.06 -0.32 0.00 -0.01 0.00 0.00 57.00 52.58 1yna n GLN 67 Cb 0.42 -1.88 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 1yna n GLN 67 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1yna s PRO 68 N -1.72 3.51 -0.50 -1.09 0.04 -1.26 -2.03 135.00 131.95 1yna s PRO 68 Ca 0.36 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1yna s PRO 68 Cb 0.12 -2.07 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1yna s PRO 68 CO -0.08 -0.65 0.32 1.21 0.04 0.00 0.00 177.00 177.85 1yna s ASN 69 N -3.05 3.45 0.00 6.66 3.84 0.14 -4.94 114.94 121.03 1yna s ASN 69 Ca 0.61 -3.03 0.00 0.00 0.21 0.00 0.00 52.86 50.65 1yna s ASN 69 Cb -0.14 -1.05 0.00 0.00 -0.55 0.00 0.00 41.25 39.51 1yna s ASN 69 CO 0.38 -0.20 0.00 0.61 -2.79 0.00 0.00 177.10 175.10 1yna n GLY 70 N 3.00 0.20 3.63 1.21 0.00 -1.26 -2.77 105.19 109.21 1yna n GLY 70 Ca 0.16 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 1yna n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yna s ASN 71 N -4.00 6.14 -0.09 1.61 3.84 -1.26 -3.57 114.94 117.61 1yna s ASN 71 Ca 0.00 2.10 -0.30 0.00 0.21 0.00 0.00 52.86 54.87 1yna s ASN 71 Cb 0.00 -2.52 0.12 0.00 -0.55 0.00 0.00 41.25 38.29 1yna s ASN 71 CO 0.00 -1.38 0.96 -0.55 -2.79 0.00 0.00 177.10 173.34 1yna s SER 72 N 5.49 -0.35 0.08 -4.21 0.15 -1.26 -1.70 113.70 111.89 1yna s SER 72 Ca 0.86 0.17 -0.07 0.00 0.70 0.00 0.00 55.95 57.61 1yna s SER 72 Cb -0.34 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1yna s SER 72 CO 0.35 -0.47 0.15 -0.72 1.20 0.00 0.00 173.24 173.75 1yna s TYR 73 N -2.21 0.21 -0.16 3.44 -0.85 -0.84 -0.02 117.35 116.92 1yna s TYR 73 Ca 0.03 -0.65 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 1yna s TYR 73 Cb -0.01 -0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.24 1yna s TYR 73 CO -0.04 -0.50 -0.15 -1.17 -1.52 0.00 0.00 175.55 172.16 1yna s LEU 74 N -2.81 1.90 0.02 -3.49 2.96 0.15 -0.83 118.68 116.58 1yna s LEU 74 Ca 0.04 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 1yna s LEU 74 Cb 0.05 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.48 1yna s LEU 74 CO -0.10 -0.05 0.26 0.00 -1.32 0.00 0.00 176.35 175.13 1yna s ALA 75 N 1.42 -0.59 -0.04 5.97 0.00 -0.27 -0.86 121.76 127.39 1yna s ALA 75 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 1yna s ALA 75 Cb -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1yna s ALA 75 CO -0.11 -0.32 1.11 0.08 0.00 0.00 0.00 175.76 176.52 1yna s VAL 76 N -1.98 4.47 -0.01 0.00 1.01 0.45 0.20 120.40 124.54 1yna s VAL 76 Ca -0.09 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1yna s VAL 76 Cb -0.03 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1yna s VAL 76 CO -0.00 0.05 0.01 -0.47 0.00 0.00 0.00 175.10 174.69 1yna s TYR 77 N 1.75 0.05 0.06 5.22 5.04 0.51 -0.42 117.35 129.57 1yna s TYR 77 Ca 0.54 0.06 -0.06 0.00 -2.44 0.00 0.00 57.07 55.16 1yna s TYR 77 Cb -0.23 -0.15 0.02 0.00 0.35 0.00 0.00 41.96 41.95 1yna s TYR 77 CO 0.23 -0.05 0.31 0.41 -1.34 0.00 0.00 175.55 175.11 1yna n GLY 78 N 3.67 1.15 3.14 8.97 0.00 -0.95 -0.46 105.19 120.71 1yna n GLY 78 Ca -0.21 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1yna n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yna s TRP 79 N -5.03 0.98 0.31 1.61 0.52 -0.98 -1.21 118.94 115.14 1yna s TRP 79 Ca 0.07 -0.60 0.10 0.00 0.02 0.00 0.00 56.10 55.70 1yna s TRP 79 Cb -0.01 -0.55 -0.06 0.00 -1.15 0.00 0.00 33.47 31.70 1yna s TRP 79 CO 0.02 -0.02 -0.14 0.95 0.02 0.00 0.00 176.95 177.78 1yna s THR 80 N -2.02 2.29 0.20 2.01 -4.23 -0.44 -0.71 115.64 112.74 1yna s THR 80 Ca 0.00 -2.29 0.11 0.00 -1.18 0.00 0.00 61.69 58.33 1yna s THR 80 Cb -0.06 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1yna s THR 80 CO 0.00 -0.31 -0.22 -0.13 -0.54 0.00 0.00 174.62 173.42 1yna s ARG 81 N -3.57 1.58 -0.96 3.99 0.52 0.46 -1.36 118.95 119.60 1yna s ARG 81 Ca 0.31 -1.52 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 1yna s ARG 81 Cb -0.01 -1.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.59 1yna s ARG 81 CO 0.15 0.40 0.73 0.09 0.02 0.00 0.00 175.30 176.69 1yna n ASN 82 N 0.20 -5.81 -4.93 0.23 3.02 -1.26 0.09 115.26 106.79 1yna n ASN 82 Ca -0.12 -0.78 -0.25 0.00 -0.03 0.00 0.00 54.58 53.40 1yna n ASN 82 Cb 0.56 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 1yna n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1yna s PRO 83 N -5.00 3.33 -0.17 3.52 0.04 -1.26 -4.03 135.00 131.42 1yna s PRO 83 Ca 0.24 -0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 1yna s PRO 83 Cb -0.09 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1yna s PRO 83 CO 0.84 -0.16 1.52 -1.17 0.04 0.00 0.00 177.00 178.08 1yna s LEU 84 N -4.58 4.06 -0.01 -3.56 2.96 -1.26 -4.63 118.68 111.67 1yna s LEU 84 Ca 0.46 1.76 -0.00 0.00 -0.22 0.00 0.00 54.13 56.12 1yna s LEU 84 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.06 1yna s LEU 84 CO 0.40 -1.05 0.02 -0.69 -1.32 0.00 0.00 176.35 173.71 1yna s VAL 85 N 4.47 -0.01 -0.20 1.68 1.01 -0.46 -3.65 120.40 123.23 1yna s VAL 85 Ca 0.67 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 1yna s VAL 85 Cb -0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1yna s VAL 85 CO 0.26 0.02 -0.02 -0.70 0.00 0.00 0.00 175.10 174.66 1yna s GLU 86 N 0.27 3.52 0.14 2.72 2.12 -0.74 -1.33 118.70 125.40 1yna s GLU 86 Ca -0.02 -0.57 0.09 0.00 0.36 0.00 0.00 54.97 54.83 1yna s GLU 86 Cb -0.03 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 1yna s GLU 86 CO -0.01 -0.05 -0.20 1.52 -0.54 0.00 0.00 175.26 175.98 1yna s TYR 87 N 1.12 1.88 -0.04 5.30 -0.85 -0.35 -1.39 117.35 123.03 1yna s TYR 87 Ca 0.02 -0.44 -0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1yna s TYR 87 Cb -0.15 -0.97 0.03 0.00 0.38 0.00 0.00 41.96 41.25 1yna s TYR 87 CO 0.01 0.30 0.03 0.71 -1.52 0.00 0.00 175.55 175.07 1yna s TYR 88 N -1.64 0.22 -0.42 -3.49 1.51 -0.38 -2.24 117.35 110.90 1yna s TYR 88 Ca 0.13 0.09 -0.03 0.00 -1.01 0.00 0.00 57.07 56.24 1yna s TYR 88 Cb -0.08 -0.45 0.11 0.00 -0.11 0.00 0.00 41.96 41.44 1yna s TYR 88 CO 0.06 -0.17 0.22 0.42 -1.11 0.00 0.00 175.55 174.98 1yna s ILE 89 N 1.52 3.36 -0.35 2.71 1.01 0.44 -1.07 121.20 128.82 1yna s ILE 89 Ca -0.03 -2.09 -0.21 0.00 0.00 0.00 0.00 60.65 58.32 1yna s ILE 89 Cb -0.13 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1yna s ILE 89 CO -0.03 -0.71 0.67 -0.69 0.00 0.00 0.00 174.94 174.18 1yna s VAL 90 N 1.09 4.86 -0.14 2.92 1.01 0.52 -0.41 120.40 130.25 1yna s VAL 90 Ca 0.09 0.67 0.20 0.00 0.00 0.00 0.00 61.98 62.93 1yna s VAL 90 Cb -0.23 -4.10 -0.17 0.00 0.00 0.00 0.00 36.38 31.88 1yna s VAL 90 CO -0.04 -0.33 0.70 -0.62 0.00 0.00 0.00 175.10 174.81 1yna n GLU 91 N 6.12 0.64 -3.51 2.72 -0.58 -0.04 -0.98 120.64 125.00 1yna n GLU 91 Ca -0.00 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.66 1yna n GLU 91 Cb 0.48 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1yna n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1yna s ASN 92 N -5.29 -0.50 0.02 1.62 3.84 -1.10 -2.08 114.94 111.46 1yna s ASN 92 Ca -0.05 0.33 -0.20 0.00 0.21 0.00 0.00 52.86 53.16 1yna s ASN 92 Cb 0.10 0.45 0.04 0.00 -0.55 0.00 0.00 41.25 41.30 1yna s ASN 92 CO 0.83 -0.61 0.46 0.72 -2.79 0.00 0.00 177.10 175.71 1yna s PHE 93 N -2.10 -0.34 0.00 0.43 -0.12 -1.26 -0.68 117.98 113.91 1yna s PHE 93 Ca -0.03 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 1yna s PHE 93 Cb -0.01 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 1yna s PHE 93 CO -0.01 -0.56 0.14 0.41 -0.05 0.00 0.00 175.22 175.14 1yna n GLY 94 N 0.67 0.47 0.64 1.99 0.00 0.97 -4.92 105.19 105.00 1yna n GLY 94 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1yna n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yna n THR 95 N -0.62 1.04 -4.18 2.61 -2.24 -1.23 -4.96 114.28 104.71 1yna n THR 95 Ca 0.00 0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 1yna n THR 95 Cb 0.00 -1.80 -0.08 0.00 -2.10 0.00 0.00 70.33 66.35 1yna n THR 95 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1yna s TYR 96 N -2.31 3.21 -0.16 4.78 1.13 -1.26 -5.06 117.35 117.68 1yna s TYR 96 Ca -0.14 0.17 -0.29 0.00 -1.41 0.00 0.00 57.07 55.40 1yna s TYR 96 Cb 0.04 -1.73 -0.02 0.00 -1.10 0.00 0.00 41.96 39.15 1yna s TYR 96 CO 0.19 0.52 1.41 0.34 -2.51 0.00 0.00 175.55 175.50 1yna s ASP 97 N -1.58 6.77 0.19 -0.18 -1.08 -1.26 -4.84 116.67 114.69 1yna s ASP 97 Ca 0.21 1.75 0.17 0.00 -0.52 0.00 0.00 52.55 54.16 1yna s ASP 97 Cb -0.12 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.61 1yna s ASP 97 CO 0.11 -0.91 1.52 -0.81 0.52 0.00 0.00 175.17 175.60 1yna n PRO 98 N 6.97 0.11 0.00 4.34 -0.04 -1.26 -1.49 135.00 143.62 1yna n PRO 98 Ca 0.15 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.23 1yna n PRO 98 Cb 0.45 -1.77 0.40 0.00 -0.04 0.00 0.00 33.50 32.53 1yna n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yna n SER 99 N -1.99 1.38 -4.54 3.54 3.41 -1.26 -4.95 113.62 109.20 1yna n SER 99 Ca 0.01 -1.22 -0.53 0.00 -0.26 0.00 0.00 58.87 56.87 1yna n SER 99 Cb 0.11 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1yna n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yna n SER 100 N -0.18 0.83 0.00 4.04 7.64 -0.56 -0.50 113.62 124.88 1yna n SER 100 Ca 0.15 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1yna n SER 100 Cb 0.37 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1yna n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yna n GLY 101 N 2.02 1.03 3.81 0.23 0.00 -1.26 -5.04 105.19 105.98 1yna n GLY 101 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1yna n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yna s ALA 102 N -3.09 2.67 0.02 4.61 0.00 0.34 -4.97 121.76 121.34 1yna s ALA 102 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 1yna s ALA 102 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1yna s ALA 102 CO 0.00 -1.17 1.28 0.99 0.00 0.00 0.00 175.76 176.86 1yna s THR 103 N -2.92 3.92 -0.09 0.00 2.01 0.02 -4.81 115.64 113.78 1yna s THR 103 Ca 0.59 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 1yna s THR 103 Cb -0.15 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1yna s THR 103 CO 0.51 0.04 1.31 -0.62 -0.69 0.00 0.00 174.62 175.18 1yna s ASP 104 N 1.42 6.93 -0.04 3.53 2.15 -1.26 -2.04 116.67 127.36 1yna s ASP 104 Ca 0.60 1.87 0.10 0.00 0.43 0.00 0.00 52.55 55.55 1yna s ASP 104 Cb -0.30 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.05 1yna s ASP 104 CO 0.27 -0.71 1.22 0.18 -0.17 0.00 0.00 175.17 175.95 1yna n LEU 105 N 5.96 2.86 0.00 -1.34 4.77 -0.12 -4.97 117.00 124.15 1yna n LEU 105 Ca 0.13 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1yna n LEU 105 Cb 0.45 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1yna n LEU 105 CO 0.57 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1yna n GLY 106 N -0.02 -1.08 3.24 -0.72 0.00 -1.25 -4.83 105.19 100.53 1yna n GLY 106 Ca 0.11 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 1yna n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yna s THR 107 N 0.00 0.67 0.06 2.61 -4.23 -1.26 -0.69 115.64 112.80 1yna s THR 107 Ca 0.00 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.38 1yna s THR 107 Cb 0.00 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.76 1yna s THR 107 CO 0.00 -0.48 0.35 0.54 -0.54 0.00 0.00 174.62 174.49 1yna s VAL 108 N -3.66 0.07 -0.27 2.29 0.11 -0.80 -4.95 120.40 113.21 1yna s VAL 108 Ca 0.24 -0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 58.61 1yna s VAL 108 Cb 0.06 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1yna s VAL 108 CO 0.04 -0.33 0.09 -1.61 -3.33 0.00 0.00 175.10 169.95 1yna s GLU 109 N -2.76 3.53 -0.01 1.54 0.41 -1.26 -0.31 118.70 119.85 1yna s GLU 109 Ca -0.04 -0.56 0.01 0.00 -0.41 0.00 0.00 54.97 53.97 1yna s GLU 109 Cb -0.00 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 1yna s GLU 109 CO -0.05 -0.26 -0.02 0.00 -0.49 0.00 0.00 175.26 174.45 1yna n ASP 111 N 3.22 -0.09 0.00 0.00 8.00 -1.26 -1.87 116.55 124.55 1yna n ASP 111 Ca -0.15 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1yna n ASP 111 Cb 0.58 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.32 1yna n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yna n GLY 112 N -2.14 0.45 3.28 0.44 0.00 -1.26 -5.02 105.19 100.93 1yna n GLY 112 Ca -0.27 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1yna n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yna s SER 113 N -2.61 -0.12 0.23 1.61 0.15 -0.78 -5.00 113.70 107.19 1yna s SER 113 Ca 0.00 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 55.96 1yna s SER 113 Cb 0.00 0.42 -0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1yna s SER 113 CO 0.00 -0.79 0.97 -0.63 1.20 0.00 0.00 173.24 173.99 1yna s ILE 114 N -3.66 4.03 -0.05 6.45 -1.09 -1.26 -1.44 121.20 124.18 1yna s ILE 114 Ca 0.03 2.00 0.06 0.00 -2.23 0.00 0.00 60.65 60.51 1yna s ILE 114 Cb 0.02 -4.28 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 1yna s ILE 114 CO -0.11 0.46 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.51 1yna s TYR 115 N -1.05 2.44 -0.16 3.97 1.51 0.58 -0.99 117.35 123.65 1yna s TYR 115 Ca 0.42 -0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 1yna s TYR 115 Cb -0.27 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1yna s TYR 115 CO 0.33 -0.14 0.61 1.03 -1.11 0.00 0.00 175.55 176.27 1yna s ARG 116 N -0.31 4.27 0.01 -0.62 0.52 -0.13 -1.90 118.95 120.79 1yna s ARG 116 Ca 0.01 0.62 -0.08 0.00 -0.52 0.00 0.00 55.73 55.75 1yna s ARG 116 Cb -0.13 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 1yna s ARG 116 CO 0.02 -0.12 0.30 -0.51 0.02 0.00 0.00 175.30 175.02 1yna s LEU 117 N 1.51 4.38 0.27 2.53 1.43 0.14 -1.01 118.68 127.92 1yna s LEU 117 Ca 0.29 0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 53.84 1yna s LEU 117 Cb -0.16 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.41 1yna s LEU 117 CO 0.11 0.26 0.70 -0.83 0.23 0.00 0.00 176.35 176.82 1yna s GLY 118 N -1.57 -0.13 -0.02 -3.19 0.00 -0.43 -0.95 107.32 101.03 1yna s GLY 118 Ca 0.27 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.68 1yna s GLY 118 CO 0.15 -0.08 0.15 -1.59 0.00 0.00 0.00 173.10 171.73 1yna s LYS 119 N -3.90 0.38 0.20 2.90 -2.85 -0.86 -0.76 119.74 114.85 1yna s LYS 119 Ca 0.10 -0.17 0.01 0.00 -1.00 0.00 0.00 55.97 54.92 1yna s LYS 119 Cb -0.05 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.83 1yna s LYS 119 CO 0.05 -0.08 0.05 0.95 0.10 0.00 0.00 175.35 176.42 1yna s THR 120 N -0.85 0.53 -0.08 3.79 -4.23 -0.52 -0.80 115.64 113.48 1yna s THR 120 Ca -0.09 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1yna s THR 120 Cb -0.05 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1yna s THR 120 CO 0.01 -0.26 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.75 1yna s THR 121 N -3.77 1.62 -0.24 3.99 2.01 -1.26 -0.68 115.64 117.31 1yna s THR 121 Ca 0.30 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 1yna s THR 121 Cb 0.07 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1yna s THR 121 CO 0.08 0.46 0.07 -0.13 -0.69 0.00 0.00 174.62 174.41 1yna s ARG 122 N 0.37 3.69 -0.17 4.92 1.81 0.64 -4.98 118.95 125.23 1yna s ARG 122 Ca -0.14 -0.46 -0.08 0.00 -1.72 0.00 0.00 55.73 53.33 1yna s ARG 122 Cb -0.16 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 1yna s ARG 122 CO 0.06 -0.15 0.11 0.08 -0.68 0.00 0.00 175.30 174.72 1yna s VAL 123 N 1.51 5.21 -1.33 3.52 1.01 -1.26 -1.23 120.40 127.83 1yna s VAL 123 Ca 0.06 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 1yna s VAL 123 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1yna s VAL 123 CO 0.04 0.50 0.48 0.59 0.00 0.00 0.00 175.10 176.70 1yna n ASN 124 N 3.07 -2.24 -4.66 3.32 3.02 -1.12 -4.94 115.26 111.71 1yna n ASN 124 Ca -0.17 -1.17 -0.25 0.00 -0.03 0.00 0.00 54.58 52.96 1yna n ASN 124 Cb 0.53 -2.34 -0.08 0.00 -0.61 0.00 0.00 39.78 37.28 1yna n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yna s ALA 125 N -3.83 3.31 0.15 5.41 0.00 -0.36 -4.76 121.76 121.68 1yna s ALA 125 Ca 0.25 -2.02 -0.31 0.00 0.00 0.00 0.00 51.96 49.89 1yna s ALA 125 Cb -0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 1yna s ALA 125 CO 0.94 -0.00 1.35 -2.14 0.00 0.00 0.00 175.76 175.90 1yna s PRO 126 N -3.77 4.35 0.30 0.00 0.02 -1.26 -1.00 135.00 133.64 1yna s PRO 126 Ca 0.36 2.05 0.05 0.00 0.02 0.00 0.00 61.00 63.49 1yna s PRO 126 Cb 0.02 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1yna s PRO 126 CO 0.20 -0.36 0.25 -1.54 -0.33 0.00 0.00 177.00 175.23 1yna s SER 127 N 0.80 1.30 0.59 2.53 1.04 -0.23 -4.91 113.70 114.81 1yna s SER 127 Ca 0.61 -1.66 0.29 0.00 0.48 0.00 0.00 55.95 55.67 1yna s SER 127 Cb -0.36 0.52 1.79 0.00 0.10 0.00 0.00 66.02 68.07 1yna s SER 127 CO 0.33 -1.02 2.25 0.16 0.98 0.00 0.00 173.24 175.94 1yna h ILE 128 N 2.25 0.55 -0.43 -1.02 3.07 -2.01 -2.34 117.51 117.57 1yna h ILE 128 Ca -0.28 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 65.93 1yna h ILE 128 Cb 1.24 0.99 -0.13 0.00 -0.27 0.00 0.00 36.82 38.65 1yna h ILE 128 CO 0.40 0.00 0.01 0.47 -1.05 0.00 0.00 178.15 177.98 1yna n ASP 129 N -3.88 2.72 0.00 2.16 8.00 -1.26 -5.08 116.55 119.22 1yna n ASP 129 Ca -0.03 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.76 1yna n ASP 129 Cb 0.09 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1yna n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yna n GLY 130 N -1.08 -1.73 3.64 0.44 0.00 -0.88 -4.84 105.19 100.73 1yna n GLY 130 Ca 0.36 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1yna n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yna s THR 131 N 0.00 4.18 0.20 2.61 2.01 -1.26 -1.07 115.64 122.31 1yna s THR 131 Ca 0.00 1.36 -0.06 0.00 0.31 0.00 0.00 61.69 63.29 1yna s THR 131 Cb 0.00 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1yna s THR 131 CO 0.00 -0.40 0.27 -1.10 -0.69 0.00 0.00 174.62 172.69 1yna s GLN 132 N 4.02 1.27 -0.17 4.92 -1.52 -0.17 -4.85 119.66 123.16 1yna s GLN 132 Ca 0.56 -1.39 -0.07 0.00 -1.95 0.00 0.00 55.36 52.50 1yna s GLN 132 Cb -0.18 0.35 -0.04 0.00 -0.22 0.00 0.00 33.01 32.93 1yna s GLN 132 CO 0.21 -0.46 0.07 0.99 -0.25 0.00 0.00 175.29 175.85 1yna s THR 133 N -4.06 4.88 0.10 -0.19 2.01 -1.26 -1.23 115.64 115.89 1yna s THR 133 Ca 0.27 -0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1yna s THR 133 Cb 0.04 -3.19 0.05 0.00 0.01 0.00 0.00 72.50 69.42 1yna s THR 133 CO 0.07 0.48 0.51 0.72 -0.69 0.00 0.00 174.62 175.72 1yna s PHE 134 N 0.14 -0.40 0.30 4.92 -0.71 -0.36 -4.91 117.98 116.95 1yna s PHE 134 Ca 0.05 0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 56.16 1yna s PHE 134 Cb -0.12 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 1yna s PHE 134 CO 0.00 -0.71 0.58 -0.51 -1.34 0.00 0.00 175.22 173.24 1yna s ASP 135 N -2.40 6.47 -0.14 1.98 1.01 -1.24 -0.26 116.67 122.09 1yna s ASP 135 Ca -0.01 0.78 0.00 0.00 0.71 0.00 0.00 52.55 54.02 1yna s ASP 135 Cb -0.00 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1yna s ASP 135 CO -0.07 -0.21 -0.14 -1.10 0.21 0.00 0.00 175.17 173.86 1yna s GLN 136 N -3.53 3.32 -0.15 8.23 -0.21 0.15 -1.80 119.66 125.68 1yna s GLN 136 Ca 0.45 -0.71 -0.07 0.00 0.02 0.00 0.00 55.36 55.05 1yna s GLN 136 Cb -0.11 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1yna s GLN 136 CO 0.29 0.15 0.10 0.71 -2.12 0.00 0.00 175.29 174.42 1yna s TYR 137 N 0.51 3.41 -0.03 0.91 2.02 -0.48 -1.44 117.35 122.25 1yna s TYR 137 Ca -0.09 0.33 0.07 0.00 -0.37 0.00 0.00 57.07 57.00 1yna s TYR 137 Cb -0.16 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1yna s TYR 137 CO 0.04 0.45 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.66 1yna s TRP 138 N -0.33 2.12 -0.15 2.71 0.52 0.06 -1.25 118.94 122.62 1yna s TRP 138 Ca 0.10 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 55.71 1yna s TRP 138 Cb -0.12 -1.38 0.05 0.00 -1.15 0.00 0.00 33.47 30.88 1yna s TRP 138 CO 0.01 -0.08 0.08 0.45 0.02 0.00 0.00 176.95 177.43 1yna s SER 139 N -0.42 2.20 -0.21 2.95 0.15 -0.23 -1.32 113.70 116.83 1yna s SER 139 Ca 0.05 -0.51 -0.02 0.00 0.70 0.00 0.00 55.95 56.17 1yna s SER 139 Cb -0.10 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1yna s SER 139 CO 0.00 -0.32 -0.10 -0.69 1.20 0.00 0.00 173.24 173.33 1yna s VAL 140 N 2.10 2.83 0.13 4.45 1.01 -0.18 -0.35 120.40 130.39 1yna s VAL 140 Ca 0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1yna s VAL 140 Cb -0.15 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 1yna s VAL 140 CO -0.08 0.42 1.39 -0.60 0.00 0.00 0.00 175.10 176.23 1yna s ARG 141 N 1.38 4.32 0.04 2.72 3.52 -0.15 -0.96 118.95 129.83 1yna s ARG 141 Ca 0.04 2.09 -0.18 0.00 -0.13 0.00 0.00 55.73 57.56 1yna s ARG 141 Cb -0.14 -3.23 -0.18 0.00 -1.56 0.00 0.00 34.95 29.83 1yna s ARG 141 CO -0.07 -0.42 1.23 0.37 -0.81 0.00 0.00 175.30 175.60 1yna h GLN 142 N 6.57 0.51 -4.17 5.12 4.15 -1.40 -3.39 115.11 122.48 1yna h GLN 142 Ca -0.43 -0.41 -0.76 0.00 0.77 0.00 0.00 58.65 57.83 1yna h GLN 142 Cb 1.21 0.08 -0.24 0.00 0.21 0.00 0.00 27.48 28.75 1yna h GLN 142 CO 0.85 1.04 0.21 -0.51 -1.93 0.00 0.00 178.83 178.49 1yna s ASP 143 N -6.65 6.62 0.39 -0.69 1.01 -1.26 -5.04 116.67 111.06 1yna s ASP 143 Ca -0.13 -2.35 -0.27 0.00 0.71 0.00 0.00 52.55 50.51 1yna s ASP 143 Cb 0.05 -2.26 -0.11 0.00 1.01 0.00 0.00 42.92 41.62 1yna s ASP 143 CO 0.82 -0.75 1.34 0.29 0.21 0.00 0.00 175.17 177.09 1yna n LYS 144 N 4.83 2.20 -3.94 8.23 5.02 -1.26 -5.01 118.16 128.22 1yna n LYS 144 Ca 0.11 0.77 -0.10 0.00 -2.02 0.00 0.00 58.31 57.08 1yna n LYS 144 Cb 0.46 -2.46 -0.07 0.00 -0.02 0.00 0.00 35.03 32.95 1yna n LYS 144 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1yna s ARG 145 N -2.11 1.21 0.00 1.97 1.70 -0.88 -5.03 118.95 115.80 1yna s ARG 145 Ca 0.58 -1.15 0.05 0.00 -0.47 0.00 0.00 55.73 54.73 1yna s ARG 145 Cb -0.51 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.30 1yna s ARG 145 CO 0.61 -0.45 0.63 0.25 -1.08 0.00 0.00 175.30 175.25 1yna n THR 146 N -0.24 0.00 -3.75 4.99 -2.24 -1.26 -4.36 114.28 107.42 1yna n THR 146 Ca -0.07 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1yna n THR 146 Cb 0.63 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.89 1yna n THR 146 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1yna s SER 147 N -0.42 -0.09 0.00 3.42 1.04 -1.26 -4.01 113.70 112.38 1yna s SER 147 Ca 0.05 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1yna s SER 147 Cb 0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1yna s SER 147 CO 0.06 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1yna n GLY 148 N 0.25 -0.02 3.36 7.32 0.00 -0.46 -4.99 105.19 110.64 1yna n GLY 148 Ca -0.17 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1yna n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yna s THR 149 N -2.12 2.75 -0.23 2.61 2.01 -1.26 -1.47 115.64 117.93 1yna s THR 149 Ca 0.00 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1yna s THR 149 Cb 0.00 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1yna s THR 149 CO 0.00 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 1yna s VAL 150 N 0.01 4.10 -0.56 3.82 1.01 0.17 -4.87 120.40 124.09 1yna s VAL 150 Ca -0.06 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1yna s VAL 150 Cb -0.15 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.42 1yna s VAL 150 CO 0.05 0.38 0.71 -1.10 0.00 0.00 0.00 175.10 175.14 1yna s GLN 151 N 1.35 3.10 0.50 2.72 -1.52 -1.26 -0.34 119.66 124.20 1yna s GLN 151 Ca 0.05 -1.05 0.17 0.00 -1.95 0.00 0.00 55.36 52.58 1yna s GLN 151 Cb -0.15 -4.18 1.22 0.00 -0.22 0.00 0.00 33.01 29.68 1yna s GLN 151 CO 0.02 -1.43 2.09 1.79 -0.25 0.00 0.00 175.29 177.51 1yna h THR 152 N 5.91 0.98 -0.34 -0.19 1.35 -1.61 -2.15 112.91 116.86 1yna h THR 152 Ca -0.28 -0.29 0.05 0.00 -0.55 0.00 0.00 66.41 65.33 1yna h THR 152 Cb 1.09 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1yna h THR 152 CO 1.05 0.08 0.23 1.23 -0.25 0.00 0.00 175.52 177.87 1yna h GLY 153 N 0.28 0.31 1.23 5.82 0.00 -1.56 -0.68 103.07 108.47 1yna h GLY 153 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1yna h GLY 153 CO 0.01 0.08 0.37 0.00 0.00 0.00 0.00 176.54 177.01 1yna h HIS 155 N 1.00 0.74 -0.92 0.00 3.86 -1.30 -2.79 115.15 115.74 1yna h HIS 155 Ca 0.25 -0.54 0.01 0.00 -1.16 0.00 0.00 60.37 58.93 1yna h HIS 155 Cb 0.06 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.45 1yna h HIS 155 CO 0.01 1.46 0.60 0.74 0.86 0.00 0.00 177.93 181.60 1yna h PHE 156 N -0.12 1.16 -0.67 2.45 0.04 -1.28 0.03 116.94 118.55 1yna h PHE 156 Ca -0.22 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 1yna h PHE 156 Cb 1.91 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 39.63 1yna h PHE 156 CO 0.16 0.74 0.29 -0.44 -0.60 0.00 0.00 178.31 178.46 1yna h ASP 157 N 1.25 0.91 -0.41 2.17 3.32 -1.25 -0.70 116.42 121.71 1yna h ASP 157 Ca 0.34 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1yna h ASP 157 Cb -0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1yna h ASP 157 CO -0.07 0.82 0.22 0.00 -1.72 0.00 0.00 179.24 178.49 1yna h ALA 158 N 1.13 0.53 -0.77 3.45 0.00 -1.15 -0.72 119.26 121.73 1yna h ALA 158 Ca 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1yna h ALA 158 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1yna h ALA 158 CO -0.02 0.05 0.32 -1.49 0.00 0.00 0.00 179.25 178.11 1yna h TRP 159 N 0.53 1.15 -0.48 0.00 6.55 -0.75 -2.44 115.95 120.52 1yna h TRP 159 Ca 0.14 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.89 1yna h TRP 159 Cb 0.06 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 27.99 1yna h TRP 159 CO -0.02 0.87 0.23 0.00 -1.05 0.00 0.00 178.44 178.46 1yna h ALA 160 N 1.23 0.61 0.00 1.49 0.00 -0.79 -0.96 119.26 120.85 1yna h ALA 160 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1yna h ALA 160 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yna h ALA 160 CO -0.02 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 1yna h ARG 161 N 0.63 0.00 -0.00 0.00 3.08 -0.86 0.13 114.38 117.36 1yna h ARG 161 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1yna h ARG 161 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1yna h ARG 161 CO -0.02 0.06 -0.00 0.00 -1.07 0.00 0.00 179.97 178.93 1yna n ALA 162 N -2.46 2.51 -0.10 0.04 0.00 -0.94 -4.90 120.51 114.65 1yna n ALA 162 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yna n ALA 162 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1yna n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yna n GLY 163 N 1.26 0.95 3.85 0.00 0.00 0.47 -5.08 105.19 106.63 1yna n GLY 163 Ca 0.15 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1yna n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yna s LEU 164 N 0.00 4.09 -0.29 0.99 1.43 -0.41 -5.00 118.68 119.49 1yna s LEU 164 Ca 0.00 1.24 -0.27 0.00 -1.03 0.00 0.00 54.13 54.07 1yna s LEU 164 Cb 0.00 -4.01 0.01 0.00 0.03 0.00 0.00 46.19 42.22 1yna s LEU 164 CO 0.00 -0.18 0.98 0.21 0.23 0.00 0.00 176.35 177.59 1yna s ASN 165 N -2.26 6.90 -0.18 2.29 3.84 -1.26 -4.22 114.94 120.05 1yna s ASN 165 Ca 0.53 1.03 0.15 0.00 0.21 0.00 0.00 52.86 54.78 1yna s ASN 165 Cb -0.11 -2.50 0.38 0.00 -0.55 0.00 0.00 41.25 38.48 1yna s ASN 165 CO 0.18 -0.75 1.24 1.33 -2.79 0.00 0.00 177.10 176.31 1yna n VAL 166 N 5.63 2.11 -0.49 -5.21 0.24 -1.26 -4.70 118.33 114.66 1yna n VAL 166 Ca 0.10 -2.56 0.10 0.00 -2.04 0.00 0.00 64.34 59.93 1yna n VAL 166 Cb 0.47 -0.25 0.31 0.00 -1.47 0.00 0.00 33.84 32.90 1yna n VAL 166 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1yna n ASN 167 N -1.19 4.17 -4.69 -1.34 3.02 -1.26 -5.00 115.26 108.96 1yna n ASN 167 Ca 0.20 -2.25 -0.29 0.00 -0.03 0.00 0.00 54.58 52.20 1yna n ASN 167 Cb 0.73 -0.49 0.16 0.00 -0.61 0.00 0.00 39.78 39.57 1yna n ASN 167 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yna s GLY 168 N -1.01 1.60 -0.22 7.41 0.00 -1.26 -4.87 107.32 108.97 1yna s GLY 168 Ca 0.46 -0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 1yna s GLY 168 CO 0.26 0.37 1.03 0.99 0.00 0.00 0.00 173.10 175.75 1yna s ASP 169 N -3.40 7.11 0.23 1.64 1.01 0.11 -4.78 116.67 118.59 1yna s ASP 169 Ca 0.64 1.39 -0.30 0.00 0.71 0.00 0.00 52.55 54.99 1yna s ASP 169 Cb -0.18 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 1yna s ASP 169 CO 0.57 -0.64 1.40 -1.00 0.21 0.00 0.00 175.17 175.71 1yna s HIS 170 N 3.07 3.10 0.00 4.23 3.76 -1.26 -0.41 115.29 127.78 1yna s HIS 170 Ca 0.44 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1yna s HIS 170 Cb -0.15 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.78 1yna s HIS 170 CO 0.07 -2.45 0.00 0.98 -0.85 0.00 0.00 174.74 172.50 1yna n TYR 171 N 2.49 0.00 -1.43 1.40 9.36 0.12 -4.54 117.16 124.55 1yna n TYR 171 Ca 0.07 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.98 1yna n TYR 171 Cb 0.41 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.19 1yna n TYR 171 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1yna s TYR 172 N 4.81 2.79 -0.23 2.98 -0.85 -1.26 -0.44 117.35 125.14 1yna s TYR 172 Ca 0.00 1.51 -0.03 0.00 -0.52 0.00 0.00 57.07 58.03 1yna s TYR 172 Cb 0.00 -2.99 0.11 0.00 0.38 0.00 0.00 41.96 39.45 1yna s TYR 172 CO 0.00 -1.56 0.25 -1.14 -1.52 0.00 0.00 175.55 171.57 1yna s GLN 173 N -4.87 0.24 0.22 -3.49 0.74 0.41 -2.31 119.66 110.60 1yna s GLN 173 Ca 0.60 0.11 0.04 0.00 0.05 0.00 0.00 55.36 56.16 1yna s GLN 173 Cb -0.16 -1.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.88 1yna s GLN 173 CO 0.54 -0.77 -0.02 0.96 -0.55 0.00 0.00 175.29 175.46 1yna s ILE 174 N 2.34 1.07 -0.47 -2.34 -4.36 0.39 -0.86 121.20 116.97 1yna s ILE 174 Ca 0.08 -2.04 -0.16 0.00 -0.26 0.00 0.00 60.65 58.27 1yna s ILE 174 Cb -0.15 -2.29 0.06 0.00 1.25 0.00 0.00 42.46 41.33 1yna s ILE 174 CO -0.19 -0.37 0.42 -0.69 0.24 0.00 0.00 174.94 174.35 1yna s VAL 175 N -3.39 5.18 -0.01 8.37 1.01 -0.24 -0.36 120.40 130.96 1yna s VAL 175 Ca 0.27 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1yna s VAL 175 Cb 0.05 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1yna s VAL 175 CO 0.08 -0.58 0.08 0.00 0.00 0.00 0.00 175.10 174.68 1yna s ALA 176 N 1.80 3.59 -0.14 5.51 0.00 0.13 -3.63 121.76 129.03 1yna s ALA 176 Ca 0.06 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1yna s ALA 176 Cb -0.23 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1yna s ALA 176 CO 0.08 0.69 -0.03 0.99 0.00 0.00 0.00 175.76 177.49 1yna s THR 177 N -1.19 4.00 0.05 0.00 2.01 -0.29 -1.11 115.64 119.11 1yna s THR 177 Ca 0.23 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.98 1yna s THR 177 Cb -0.12 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1yna s THR 177 CO 0.14 0.52 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.66 1yna s GLU 178 N 0.03 1.47 0.05 4.92 -6.30 -0.01 -1.83 118.70 117.03 1yna s GLU 178 Ca 0.01 -1.02 0.05 0.00 -2.50 0.00 0.00 54.97 51.51 1yna s GLU 178 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 34.13 32.34 1yna s GLU 178 CO 0.02 0.41 -0.15 0.20 0.02 0.00 0.00 175.26 175.77 1yna s GLY 179 N -1.30 0.86 -0.26 -1.50 0.00 -0.53 -1.99 107.32 102.60 1yna s GLY 179 Ca 0.09 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 1yna s GLY 179 CO 0.02 -0.88 0.14 -0.47 0.00 0.00 0.00 173.10 171.91 1yna s TYR 180 N -0.94 0.19 -1.25 1.90 5.04 -0.69 -1.29 117.35 120.30 1yna s TYR 180 Ca 0.02 -0.64 -0.11 0.00 -2.44 0.00 0.00 57.07 53.90 1yna s TYR 180 Cb -0.08 -0.79 -0.01 0.00 0.35 0.00 0.00 41.96 41.43 1yna s TYR 180 CO 0.02 -0.76 0.67 1.19 -1.34 0.00 0.00 175.55 175.32 1yna n PHE 181 N 5.27 -1.84 -3.37 4.97 3.72 -0.56 -4.38 117.46 121.27 1yna n PHE 181 Ca -0.06 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 1yna n PHE 181 Cb 0.44 -3.71 0.00 0.00 -0.94 0.00 0.00 39.48 35.27 1yna n PHE 181 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1yna n SER 182 N -2.85 0.00 -4.18 4.37 3.41 -1.26 -4.66 113.62 108.45 1yna n SER 182 Ca -0.20 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.46 1yna n SER 182 Cb 0.64 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 1yna n SER 182 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1yna s SER 183 N -0.62 1.23 0.00 4.04 1.04 -1.11 -1.56 113.70 116.71 1yna s SER 183 Ca 0.00 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1yna s SER 183 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1yna s SER 183 CO 0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1yna n GLY 184 N -0.07 -1.74 3.03 7.32 0.00 -0.29 0.25 105.19 113.70 1yna n GLY 184 Ca -0.12 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1yna n GLY 184 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yna s TYR 185 N -2.20 -0.12 -0.06 1.61 5.04 -0.86 -1.55 117.35 119.21 1yna s TYR 185 Ca 0.00 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 54.88 1yna s TYR 185 Cb 0.00 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.36 1yna s TYR 185 CO 0.00 -0.10 0.15 0.00 -1.34 0.00 0.00 175.55 174.26 1yna s ALA 186 N -0.14 -0.37 -0.26 3.97 0.00 0.10 -0.42 121.76 124.64 1yna s ALA 186 Ca -0.02 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1yna s ALA 186 Cb -0.02 -0.28 0.09 0.00 0.00 0.00 0.00 23.12 22.91 1yna s ALA 186 CO 0.00 -0.08 0.11 0.50 0.00 0.00 0.00 175.76 176.29 1yna s ARG 187 N 0.21 0.29 -0.06 0.00 3.52 0.26 -0.71 118.95 122.45 1yna s ARG 187 Ca -0.01 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 1yna s ARG 187 Cb -0.02 -1.52 -0.01 0.00 -1.56 0.00 0.00 34.95 31.83 1yna s ARG 187 CO -0.01 -0.90 -0.22 0.42 -0.81 0.00 0.00 175.30 173.79 1yna s ILE 188 N 2.01 2.37 -0.16 4.11 -1.09 -0.60 -0.54 121.20 127.32 1yna s ILE 188 Ca 0.07 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 1yna s ILE 188 Cb -0.16 -1.89 -0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1yna s ILE 188 CO -0.26 0.57 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.98 1yna s THR 189 N -0.22 2.70 0.11 2.92 2.01 -0.14 -1.19 115.64 121.83 1yna s THR 189 Ca -0.01 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.29 1yna s THR 189 Cb -0.13 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1yna s THR 189 CO 0.03 0.51 -0.02 0.68 -0.69 0.00 0.00 174.62 175.14 1yna s VAL 190 N 0.81 3.86 0.04 3.82 -7.23 -0.12 -2.00 120.40 119.58 1yna s VAL 190 Ca -0.05 -1.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.79 1yna s VAL 190 Cb -0.15 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 33.99 1yna s VAL 190 CO 0.00 0.08 0.51 0.00 -0.31 0.00 0.00 175.10 175.38 1yna s ALA 191 N -1.36 -1.30 -0.26 1.32 0.00 -0.21 -4.37 121.76 115.59 1yna s ALA 191 Ca 0.25 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 1yna s ALA 191 Cb -0.11 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1yna s ALA 191 CO 0.18 -0.48 0.53 0.34 0.00 0.00 0.00 175.76 176.33 1yna s ASP 192 N -1.88 6.45 -0.25 0.00 -1.08 -1.26 -0.33 116.67 118.32 1yna s ASP 192 Ca -0.06 0.55 0.12 0.00 -0.52 0.00 0.00 52.55 52.63 1yna s ASP 192 Cb -0.01 -2.29 0.50 0.00 -1.46 0.00 0.00 42.92 39.66 1yna s ASP 192 CO -0.01 -0.30 1.44 1.33 0.52 0.00 0.00 175.17 178.15 1yna n VAL 193 N 5.15 2.44 0.61 1.11 0.24 -0.49 -4.96 118.33 122.44 1yna n VAL 193 Ca -0.04 -2.48 0.05 0.00 -2.04 0.00 0.00 64.34 59.83 1yna n VAL 193 Cb 0.50 -0.30 0.29 0.00 -1.47 0.00 0.00 33.84 32.86 1yna n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30