#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2k s VAL 2 N 0.00 4.86 -0.09 12.58 1.01 -1.26 -0.54 120.40 136.97 1s2k s VAL 2 Ca 0.00 0.59 0.14 0.00 0.00 0.00 0.00 61.98 62.72 1s2k s VAL 2 Cb 0.00 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 1s2k s VAL 2 CO 0.00 -0.35 0.51 -0.62 0.00 0.00 0.00 175.10 174.64 1s2k n GLU 3 N 6.11 0.65 -3.67 2.72 1.02 0.20 -4.86 120.64 122.80 1s2k n GLU 3 Ca -0.01 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 1s2k n GLU 3 Cb 0.48 -1.72 -0.16 0.00 -0.02 0.00 0.00 31.44 30.03 1s2k n GLU 3 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s2k s SER 4 N -5.90 0.79 0.00 1.62 0.15 -0.90 -4.93 113.70 104.53 1s2k s SER 4 Ca -0.06 0.28 0.23 0.00 0.70 0.00 0.00 55.95 57.10 1s2k s SER 4 Cb 0.08 0.19 0.10 0.00 -1.71 0.00 0.00 66.02 64.67 1s2k s SER 4 CO 0.83 -0.24 1.18 -0.46 1.20 0.00 0.00 173.24 175.75 1s2k n ASN 5 N 5.27 2.57 -4.42 5.45 6.94 -1.26 -0.54 115.26 129.27 1s2k n ASN 5 Ca -0.05 -1.79 -0.33 0.00 -0.02 0.00 0.00 54.58 52.39 1s2k n ASN 5 Cb 0.50 0.21 -0.14 0.00 -2.36 0.00 0.00 39.78 37.99 1s2k n ASN 5 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1s2k s TRP 6 N -2.21 2.76 -0.03 -2.53 0.52 -1.26 -1.45 118.94 114.74 1s2k s TRP 6 Ca 0.24 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.97 1s2k s TRP 6 Cb 0.19 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1s2k s TRP 6 CO 0.42 -0.03 -0.14 0.20 0.02 0.00 0.00 176.95 177.42 1s2k s GLY 7 N -0.15 0.73 0.00 0.98 0.00 0.72 -3.12 107.32 106.48 1s2k s GLY 7 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1s2k s GLY 7 CO 0.03 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1s2k n GLY 8 N 3.05 0.84 3.35 0.20 0.00 0.08 0.49 105.19 113.19 1s2k n GLY 8 Ca -0.17 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1s2k n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s2k s ALA 9 N -1.01 2.37 -0.10 4.61 0.00 -0.64 -1.32 121.76 125.66 1s2k s ALA 9 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1s2k s ALA 9 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1s2k s ALA 9 CO 0.00 0.44 -0.09 0.42 0.00 0.00 0.00 175.76 176.53 1s2k s ILE 10 N -0.29 1.07 -0.12 0.00 1.01 -0.24 -1.51 121.20 121.11 1s2k s ILE 10 Ca 0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 1s2k s ILE 10 Cb -0.13 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1s2k s ILE 10 CO 0.03 0.37 0.09 -0.76 0.00 0.00 0.00 174.94 174.66 1s2k s LEU 11 N 1.44 4.07 -0.06 2.97 1.43 0.14 -0.29 118.68 128.38 1s2k s LEU 11 Ca 0.00 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1s2k s LEU 11 Cb -0.13 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1s2k s LEU 11 CO -0.05 0.36 -0.13 -0.63 0.23 0.00 0.00 176.35 176.12 1s2k s ILE 12 N -0.74 3.14 -0.08 -0.59 1.01 -1.26 -1.22 121.20 121.46 1s2k s ILE 12 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1s2k s ILE 12 Cb -0.12 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1s2k s ILE 12 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1s2k n GLY 13 N 2.49 -0.97 3.21 6.18 0.00 0.15 -5.00 105.19 111.24 1s2k n GLY 13 Ca -0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1s2k n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s2k s SER 14 N -4.00 0.03 -1.55 1.61 1.04 -1.26 -4.21 113.70 105.36 1s2k s SER 14 Ca 0.00 -0.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 1s2k s SER 14 Cb 0.00 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.54 1s2k s SER 14 CO 0.00 -0.65 0.86 0.47 0.98 0.00 0.00 173.24 174.90 1s2k n ASP 15 N 0.33 -3.68 -4.73 7.02 8.00 -0.65 -4.65 116.55 118.19 1s2k n ASP 15 Ca -0.17 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.04 1s2k n ASP 15 Cb 0.61 -3.50 -0.03 0.00 -0.02 0.00 0.00 41.12 38.18 1s2k n ASP 15 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1s2k s PHE 16 N -3.39 3.07 0.00 1.24 2.99 -0.38 -1.72 117.98 119.80 1s2k s PHE 16 Ca 0.57 0.92 0.00 0.00 0.00 0.00 0.00 56.93 58.42 1s2k s PHE 16 Cb -0.30 -3.82 0.00 0.00 0.00 0.00 0.00 43.02 38.90 1s2k s PHE 16 CO 0.86 -2.80 0.00 -0.25 -0.00 0.00 0.00 175.22 173.03 1s2k n ASP 17 N 2.99 0.00 -4.32 1.36 8.00 0.24 -4.61 116.55 120.22 1s2k n ASP 17 Ca 0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 1s2k n ASP 17 Cb 0.40 -0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 1s2k n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s2k s THR 18 N -0.95 2.03 -0.08 -3.53 2.01 -1.24 -0.80 115.64 113.08 1s2k s THR 18 Ca 0.00 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1s2k s THR 18 Cb 0.00 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1s2k s THR 18 CO 0.00 0.42 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.64 1s2k s VAL 19 N -0.72 0.58 0.11 3.82 1.01 -0.82 -1.18 120.40 123.20 1s2k s VAL 19 Ca 0.11 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1s2k s VAL 19 Cb -0.10 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1s2k s VAL 19 CO 0.01 0.29 0.30 -0.94 0.00 0.00 0.00 175.10 174.76 1s2k s SER 20 N 1.85 -0.07 -0.03 3.32 1.04 -0.20 -1.63 113.70 117.99 1s2k s SER 20 Ca 0.04 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 1s2k s SER 20 Cb -0.12 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.51 1s2k s SER 20 CO -0.06 -0.79 1.11 0.00 0.98 0.00 0.00 173.24 174.48 1s2k s ALA 21 N -3.82 -1.98 -0.14 5.32 0.00 -0.53 -0.30 121.76 120.32 1s2k s ALA 21 Ca 0.04 0.92 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1s2k s ALA 21 Cb 0.03 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1s2k s ALA 21 CO -0.11 -0.83 -0.06 0.99 0.00 0.00 0.00 175.76 175.74 1s2k s THR 22 N -2.76 3.67 0.00 0.00 2.01 -0.52 -0.21 115.64 117.84 1s2k s THR 22 Ca 0.10 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.70 1s2k s THR 22 Cb 0.01 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1s2k s THR 22 CO -0.04 0.51 -0.14 0.00 -0.69 0.00 0.00 174.62 174.26 1s2k s ALA 23 N 0.22 1.19 0.33 7.40 0.00 0.71 -0.21 121.76 131.40 1s2k s ALA 23 Ca -0.04 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 1s2k s ALA 23 Cb -0.14 -0.27 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1s2k s ALA 23 CO 0.03 0.27 0.79 0.54 0.00 0.00 0.00 175.76 177.40 1s2k s ASN 24 N -0.57 6.87 -0.23 0.00 4.22 -1.24 -0.01 114.94 123.97 1s2k s ASN 24 Ca 0.05 1.41 -0.19 0.00 -2.14 0.00 0.00 52.86 51.98 1s2k s ASN 24 Cb -0.06 -2.42 -0.02 0.00 1.28 0.00 0.00 41.25 40.02 1s2k s ASN 24 CO 0.00 -0.20 0.58 -0.69 -2.04 0.00 0.00 177.10 174.75 1s2k s VAL 25 N -1.94 5.04 0.67 3.54 1.01 0.13 -4.68 120.40 124.16 1s2k s VAL 25 Ca 0.54 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 1s2k s VAL 25 Cb -0.11 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1s2k s VAL 25 CO 0.17 0.09 0.94 -2.16 0.00 0.00 0.00 175.10 174.14 1s2k s PRO 26 N 2.16 2.12 0.18 2.72 0.04 -1.26 -0.21 135.00 140.76 1s2k s PRO 26 Ca 0.25 -0.64 -0.13 0.00 0.04 0.00 0.00 61.00 60.51 1s2k s PRO 26 Cb -0.16 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 1s2k s PRO 26 CO 0.09 -1.16 0.57 0.45 0.04 0.00 0.00 177.00 177.00 1s2k s SER 27 N -4.55 6.78 0.12 6.66 0.15 0.69 -4.71 113.70 118.85 1s2k s SER 27 Ca 0.61 1.07 0.05 0.00 0.70 0.00 0.00 55.95 58.38 1s2k s SER 27 Cb -0.09 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1s2k s SER 27 CO 0.43 0.03 -0.13 0.00 1.20 0.00 0.00 173.24 174.77 1s2k s ALA 28 N -1.60 1.40 0.31 5.45 0.00 -1.26 -1.33 121.76 124.74 1s2k s ALA 28 Ca 0.42 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1s2k s ALA 28 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1s2k s ALA 28 CO 0.20 0.04 0.47 0.45 0.00 0.00 0.00 175.76 176.92 1s2k s SER 29 N -2.55 0.58 0.00 0.00 0.15 -0.54 -4.48 113.70 106.86 1s2k s SER 29 Ca 0.09 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1s2k s SER 29 Cb -0.03 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1s2k s SER 29 CO 0.02 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 173.81 1s2k n GLY 30 N -0.50 1.05 0.00 9.45 0.00 -1.26 -1.83 105.19 112.10 1s2k n GLY 30 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s2k n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s2k n GLY 31 N -0.29 2.97 0.30 -0.02 0.00 -1.25 -4.52 105.19 102.39 1s2k n GLY 31 Ca 0.00 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.15 1s2k n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s2k h SER 32 N 0.00 0.11 1.66 1.61 4.64 -1.94 -2.02 113.55 117.60 1s2k h SER 32 Ca 0.00 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1s2k h SER 32 Cb 0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1s2k h SER 32 CO 0.00 0.07 -0.35 0.28 -0.87 0.00 0.00 176.83 175.97 1s2k h SER 33 N 0.12 0.00 -3.92 4.97 0.02 -1.95 -3.40 113.55 109.39 1s2k h SER 33 Ca 0.11 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.57 1s2k h SER 33 Cb 0.28 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.83 1s2k h SER 33 CO -0.01 0.16 0.43 0.00 -1.14 0.00 0.00 176.83 176.27 1s2k s ALA 34 N -3.15 3.16 0.36 3.77 0.00 -0.81 -4.18 121.76 120.91 1s2k s ALA 34 Ca 0.05 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 1s2k s ALA 34 Cb 0.06 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1s2k s ALA 34 CO 0.71 -0.20 0.73 0.00 0.00 0.00 0.00 175.76 177.01 1s2k s ALA 35 N -1.53 -0.62 0.14 0.00 0.00 -0.02 0.04 121.76 119.77 1s2k s ALA 35 Ca 0.54 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 1s2k s ALA 35 Cb -0.24 0.77 0.07 0.00 0.00 0.00 0.00 23.12 23.71 1s2k s ALA 35 CO 0.31 -0.97 0.81 0.20 0.00 0.00 0.00 175.76 176.11 1s2k s GLY 36 N -3.07 -0.34 0.00 0.00 0.00 -0.68 -1.33 107.32 101.90 1s2k s GLY 36 Ca 0.17 0.34 -0.08 0.00 0.00 0.00 0.00 44.72 45.15 1s2k s GLY 36 CO 0.12 0.10 0.15 -1.08 0.00 0.00 0.00 173.10 172.39 1s2k s THR 37 N -3.48 0.08 -0.07 0.90 -1.32 -0.95 -1.10 115.64 109.70 1s2k s THR 37 Ca 0.08 -0.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.88 1s2k s THR 37 Cb -0.02 -0.49 0.01 0.00 -1.51 0.00 0.00 72.50 70.49 1s2k s THR 37 CO -0.03 -0.38 -0.14 0.00 -2.21 0.00 0.00 174.62 171.86 1s2k s ALA 38 N -1.49 1.38 0.17 11.08 0.00 -0.75 -0.73 121.76 131.43 1s2k s ALA 38 Ca -0.14 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 1s2k s ALA 38 Cb -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1s2k s ALA 38 CO 0.01 0.14 0.45 1.67 0.00 0.00 0.00 175.76 178.04 1s2k s TRP 39 N 0.61 -0.09 0.12 0.00 1.48 -0.38 -1.70 118.94 118.98 1s2k s TRP 39 Ca -0.15 -0.24 0.10 0.00 -1.06 0.00 0.00 56.10 54.75 1s2k s TRP 39 Cb -0.16 0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 32.40 1s2k s TRP 39 CO 0.04 -0.81 -0.21 0.14 -4.06 0.00 0.00 176.95 172.05 1s2k s VAL 40 N -3.86 2.65 0.20 -0.66 -7.23 -0.82 -0.99 120.40 109.69 1s2k s VAL 40 Ca 0.08 -1.60 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 1s2k s VAL 40 Cb 0.01 -2.21 0.07 0.00 0.56 0.00 0.00 36.38 34.81 1s2k s VAL 40 CO -0.06 0.09 0.96 -0.83 -0.31 0.00 0.00 175.10 174.95 1s2k s GLY 41 N -2.14 -0.02 -0.06 2.32 0.00 -0.47 -2.22 107.32 104.73 1s2k s GLY 41 Ca 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1s2k s GLY 41 CO 0.09 0.87 -0.18 -0.42 0.00 0.00 0.00 173.10 173.46 1s2k s ILE 42 N -2.77 1.52 0.11 0.90 1.01 0.29 -1.41 121.20 120.86 1s2k s ILE 42 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1s2k s ILE 42 Cb -0.02 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1s2k s ILE 42 CO 0.05 0.44 0.00 0.47 0.00 0.00 0.00 174.94 175.90 1s2k n ASP 43 N 3.39 -3.96 0.00 3.58 10.43 0.19 -1.82 116.55 128.36 1s2k n ASP 43 Ca -0.20 0.50 0.00 0.00 2.57 0.00 0.00 54.79 57.67 1s2k n ASP 43 Cb 0.53 -1.41 0.00 0.00 1.84 0.00 0.00 41.12 42.07 1s2k n ASP 43 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s2k n GLY 44 N -1.67 2.64 0.00 0.44 0.00 0.58 -4.77 105.19 102.42 1s2k n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s2k n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s2k n ASP 45 N 0.00 0.00 0.16 1.61 4.64 -1.26 -4.68 116.55 117.03 1s2k n ASP 45 Ca 0.00 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.48 1s2k n ASP 45 Cb 0.00 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.16 1s2k n ASP 45 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1s2k h THR 46 N 0.00 0.39 -3.35 5.18 1.35 -1.95 -3.39 112.91 111.14 1s2k h THR 46 Ca 0.00 -1.57 -0.76 0.00 -0.55 0.00 0.00 66.41 63.53 1s2k h THR 46 Cb 0.00 2.13 -0.25 0.00 -1.73 0.00 0.00 68.15 68.30 1s2k h THR 46 CO 0.00 0.22 -0.14 0.00 -0.25 0.00 0.00 175.52 175.35 1s2k n GLN 48 N 4.78 4.15 0.05 0.00 6.02 -1.26 -0.30 117.38 130.81 1s2k n GLN 48 Ca -0.04 -2.99 -0.02 0.00 -0.01 0.00 0.00 57.00 53.94 1s2k n GLN 48 Cb 0.42 -2.03 -0.08 0.00 1.02 0.00 0.00 30.24 29.58 1s2k n GLN 48 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1s2k h THR 49 N 4.12 0.82 -2.89 5.09 1.35 -1.91 -3.49 112.91 116.00 1s2k h THR 49 Ca 0.00 -2.39 0.08 0.00 -0.55 0.00 0.00 66.41 63.55 1s2k h THR 49 Cb 1.64 2.31 -0.06 0.00 -1.73 0.00 0.00 68.15 70.31 1s2k h THR 49 CO 0.32 0.47 0.27 0.00 -0.25 0.00 0.00 175.52 176.33 1s2k s ALA 50 N -2.84 -1.34 -0.22 6.62 0.00 -1.21 -4.09 121.76 118.69 1s2k s ALA 50 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1s2k s ALA 50 Cb 0.08 0.82 0.08 0.00 0.00 0.00 0.00 23.12 24.11 1s2k s ALA 50 CO 0.80 -1.00 0.51 -1.50 0.00 0.00 0.00 175.76 174.57 1s2k s ILE 51 N -3.79 -0.37 -0.30 0.00 -1.16 -1.26 -3.08 121.20 111.24 1s2k s ILE 51 Ca 0.10 0.08 -0.08 0.00 -0.51 0.00 0.00 60.65 60.24 1s2k s ILE 51 Cb -0.05 -0.78 -0.00 0.00 0.61 0.00 0.00 42.46 42.24 1s2k s ILE 51 CO 0.04 0.03 0.12 -0.22 -2.81 0.00 0.00 174.94 172.10 1s2k s LEU 52 N 2.06 3.94 0.05 8.50 0.20 -0.75 -3.88 118.68 128.80 1s2k s LEU 52 Ca -0.07 -0.55 -0.10 0.00 0.69 0.00 0.00 54.13 54.09 1s2k s LEU 52 Cb -0.09 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1s2k s LEU 52 CO -0.15 -0.18 0.22 0.00 -0.29 0.00 0.00 176.35 175.95 1s2k s GLN 53 N 1.57 0.76 -0.12 1.98 -2.07 -0.34 -0.54 119.66 120.90 1s2k s GLN 53 Ca 0.04 -0.68 -0.19 0.00 -1.82 0.00 0.00 55.36 52.71 1s2k s GLN 53 Cb -0.17 0.32 0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1s2k s GLN 53 CO 0.05 -0.23 0.48 -0.08 -1.32 0.00 0.00 175.29 174.19 1s2k s THR 54 N -2.88 0.01 0.00 3.63 -1.32 -0.94 -0.65 115.64 113.49 1s2k s THR 54 Ca -0.03 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1s2k s THR 54 Cb 0.00 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 1s2k s THR 54 CO -0.06 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1s2k n GLY 55 N 2.14 0.79 3.10 6.08 0.00 -0.89 -1.94 105.19 114.46 1s2k n GLY 55 Ca -0.16 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1s2k n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s2k s PHE 56 N -1.89 0.59 0.18 1.61 -0.71 -0.69 -1.48 117.98 115.58 1s2k s PHE 56 Ca 0.00 -0.99 0.10 0.00 -1.04 0.00 0.00 56.93 55.00 1s2k s PHE 56 Cb 0.00 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1s2k s PHE 56 CO 0.00 -0.31 -0.17 -0.51 -1.34 0.00 0.00 175.22 172.88 1s2k s ASP 57 N -2.83 3.83 0.05 1.98 1.01 0.16 -1.80 116.67 119.07 1s2k s ASP 57 Ca 0.06 -0.71 0.07 0.00 0.71 0.00 0.00 52.55 52.68 1s2k s ASP 57 Cb 0.06 -0.48 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 1s2k s ASP 57 CO -0.08 0.12 -0.19 -1.66 0.21 0.00 0.00 175.17 173.57 1s2k s TRP 58 N -1.61 1.63 0.15 4.23 -2.14 -0.26 -2.31 118.94 118.63 1s2k s TRP 58 Ca 0.22 -0.38 0.10 0.00 2.66 0.00 0.00 56.10 58.71 1s2k s TRP 58 Cb -0.09 -0.96 -0.04 0.00 -3.10 0.00 0.00 33.47 29.28 1s2k s TRP 58 CO 0.12 0.09 -0.24 0.71 -2.66 0.00 0.00 176.95 174.97 1s2k s TYR 59 N -0.87 2.16 -1.23 1.66 1.51 -0.26 -1.68 117.35 118.64 1s2k s TYR 59 Ca 0.05 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1s2k s TYR 59 Cb -0.09 -1.13 0.16 0.00 -0.11 0.00 0.00 41.96 40.80 1s2k s TYR 59 CO 0.02 0.37 1.01 0.41 -1.11 0.00 0.00 175.55 176.25 1s2k n GLY 60 N 0.65 -0.50 1.66 0.71 0.00 0.11 -1.60 105.19 106.21 1s2k n GLY 60 Ca -0.16 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1s2k n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s2k n ASP 61 N -1.38 4.94 0.00 1.61 3.85 -1.21 -3.76 116.55 120.60 1s2k n ASP 61 Ca 0.01 -2.53 0.00 0.00 -0.71 0.00 0.00 54.79 51.56 1s2k n ASP 61 Cb 0.03 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.20 1s2k n ASP 61 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s2k n GLY 62 N 1.06 0.70 3.98 6.12 0.00 -0.63 -5.01 105.19 111.42 1s2k n GLY 62 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1s2k n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s2k s THR 63 N -2.61 4.34 0.24 2.61 -4.23 -1.25 -4.93 115.64 109.82 1s2k s THR 63 Ca 0.00 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1s2k s THR 63 Cb 0.00 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 1s2k s THR 63 CO 0.00 -0.22 0.24 -0.31 -0.54 0.00 0.00 174.62 173.79 1s2k s TYR 64 N -2.18 1.15 -0.01 3.99 2.02 -1.26 -1.10 117.35 119.96 1s2k s TYR 64 Ca 0.43 -1.33 -0.28 0.00 -0.37 0.00 0.00 57.07 55.52 1s2k s TYR 64 Cb -0.09 -0.44 0.10 0.00 -0.40 0.00 0.00 41.96 41.13 1s2k s TYR 64 CO 0.31 -0.78 0.85 0.16 -1.57 0.00 0.00 175.55 174.52 1s2k s ASP 65 N -3.19 -0.42 0.16 2.29 3.84 -0.98 -4.90 116.67 113.47 1s2k s ASP 65 Ca 0.36 0.13 0.11 0.00 -0.00 0.00 0.00 52.55 53.15 1s2k s ASP 65 Cb 0.04 0.42 -0.04 0.00 -1.38 0.00 0.00 42.92 41.96 1s2k s ASP 65 CO 0.15 -0.62 -0.24 0.00 -0.00 0.00 0.00 175.17 174.46 1s2k s ALA 66 N -2.70 2.34 0.26 2.11 0.00 -1.18 -0.67 121.76 121.92 1s2k s ALA 66 Ca 0.02 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.28 1s2k s ALA 66 Cb -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1s2k s ALA 66 CO -0.06 0.42 0.59 1.67 0.00 0.00 0.00 175.76 178.38 1s2k s TRP 67 N -1.51 0.10 0.10 0.00 1.48 -0.55 -0.85 118.94 117.70 1s2k s TRP 67 Ca 0.17 -0.50 -0.04 0.00 -1.06 0.00 0.00 56.10 54.66 1s2k s TRP 67 Cb -0.08 0.43 -0.03 0.00 -1.16 0.00 0.00 33.47 32.63 1s2k s TRP 67 CO 0.08 -1.11 0.10 1.52 -4.06 0.00 0.00 176.95 173.48 1s2k s TYR 68 N -3.97 0.52 -0.26 1.66 1.13 -0.91 -2.10 117.35 113.43 1s2k s TYR 68 Ca 0.17 -0.96 -0.26 0.00 -1.41 0.00 0.00 57.07 54.61 1s2k s TYR 68 Cb -0.03 -0.28 0.14 0.00 -1.10 0.00 0.00 41.96 40.68 1s2k s TYR 68 CO 0.08 -0.52 1.09 -2.00 -2.51 0.00 0.00 175.55 171.69 1s2k s GLU 69 N -3.95 0.45 0.00 -3.49 2.12 0.18 -3.23 118.70 110.77 1s2k s GLU 69 Ca 0.13 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1s2k s GLU 69 Cb 0.06 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1s2k s GLU 69 CO -0.05 -0.08 0.00 1.87 -0.54 0.00 0.00 175.26 176.46 1s2k n TRP 70 N 1.76 0.00 0.00 5.30 -0.00 -1.25 -1.20 117.44 122.06 1s2k n TRP 70 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.39 1s2k n TRP 70 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 1s2k n TRP 70 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1s2k n GLU 73 N -0.63 0.00 0.00 5.87 0.00 -1.20 -4.85 120.64 119.83 1s2k n GLU 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1s2k n GLU 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1s2k n GLU 73 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1s2k n VAL 74 N 2.12 0.00 -1.32 3.84 0.24 -1.26 -2.14 118.33 119.81 1s2k n VAL 74 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1s2k n VAL 74 Cb 0.00 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1s2k n VAL 74 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1s2k n SER 75 N 0.00 0.00 -1.53 -1.34 3.41 -0.03 -4.76 113.62 109.37 1s2k n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1s2k n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s2k n SER 75 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s2k n ILE 81 N 5.14 -3.34 -4.53 -1.33 2.08 -1.26 -3.09 119.36 113.04 1s2k n ILE 81 Ca 0.00 1.54 -0.34 0.00 0.56 0.00 0.00 62.75 64.51 1s2k n ILE 81 Cb 0.00 -2.08 -0.12 0.00 -0.75 0.00 0.00 39.64 36.69 1s2k n ILE 81 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1s2k s THR 82 N -2.80 3.71 -0.12 1.39 -1.32 -1.26 -4.82 115.64 110.42 1s2k s THR 82 Ca 0.00 -0.44 0.03 0.00 -1.21 0.00 0.00 61.69 60.07 1s2k s THR 82 Cb 0.00 -2.58 -0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1s2k s THR 82 CO 0.00 0.53 -0.21 -0.63 -2.21 0.00 0.00 174.62 172.10 1s2k s ILE 83 N -0.00 2.28 0.11 5.08 1.01 -1.26 -4.96 121.20 123.46 1s2k s ILE 83 Ca -0.00 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1s2k s ILE 83 Cb -0.13 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1s2k s ILE 83 CO 0.03 0.55 -0.15 -0.44 0.00 0.00 0.00 174.94 174.92 1s2k s SER 84 N 0.47 2.02 0.13 3.58 0.01 -1.26 -4.63 113.70 114.03 1s2k s SER 84 Ca -0.14 -0.73 -0.35 0.00 1.31 0.00 0.00 55.95 56.04 1s2k s SER 84 Cb -0.17 -0.08 -0.15 0.00 0.21 0.00 0.00 66.02 65.83 1s2k s SER 84 CO 0.06 -0.08 1.41 1.21 0.41 0.00 0.00 173.24 176.25 1s2k n GLU 85 N 0.85 1.55 0.00 12.44 0.00 -1.26 -1.11 120.64 133.11 1s2k n GLU 85 Ca -0.18 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1s2k n GLU 85 Cb 0.55 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.76 1s2k n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s2k n GLY 86 N 2.78 2.62 3.71 8.31 0.00 0.70 -4.99 105.19 118.33 1s2k n GLY 86 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1s2k n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s2k s ASP 87 N -1.46 3.73 -0.26 1.61 1.01 -0.27 -4.61 116.67 116.42 1s2k s ASP 87 Ca 0.00 2.22 -0.04 0.00 0.71 0.00 0.00 52.55 55.45 1s2k s ASP 87 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.37 1s2k s ASP 87 CO 0.00 -2.57 -0.01 -0.55 0.21 0.00 0.00 175.17 172.25 1s2k s SER 88 N -2.46 4.59 -0.24 0.27 0.15 -1.24 -0.70 113.70 114.07 1s2k s SER 88 Ca 0.70 -0.75 -0.05 0.00 0.70 0.00 0.00 55.95 56.54 1s2k s SER 88 Cb -0.25 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.30 1s2k s SER 88 CO 0.52 -0.13 0.01 -0.63 1.20 0.00 0.00 173.24 174.20 1s2k s ILE 89 N 1.40 3.76 -0.23 6.45 -1.09 0.98 -3.39 121.20 129.08 1s2k s ILE 89 Ca 0.02 -0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 57.84 1s2k s ILE 89 Cb -0.16 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 1s2k s ILE 89 CO -0.02 0.36 0.60 -1.58 -1.23 0.00 0.00 174.94 173.07 1s2k s GLN 90 N 1.53 4.14 -0.03 2.79 0.74 0.41 -0.21 119.66 129.03 1s2k s GLN 90 Ca 0.06 0.52 0.06 0.00 0.05 0.00 0.00 55.36 56.04 1s2k s GLN 90 Cb -0.15 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 1s2k s GLN 90 CO -0.00 -0.33 -0.19 -1.64 -0.55 0.00 0.00 175.29 172.58 1s2k s MET 91 N 2.22 2.32 -0.09 1.67 -1.94 0.70 -1.21 119.30 122.97 1s2k s MET 91 Ca 0.26 -0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 1s2k s MET 91 Cb -0.16 -2.23 0.05 0.00 2.01 0.00 0.00 34.83 34.50 1s2k s MET 91 CO 0.09 0.59 0.51 0.45 -0.01 0.00 0.00 175.02 176.65 1s2k s SER 92 N -0.72 -0.47 0.06 3.03 0.15 -0.15 -1.46 113.70 114.14 1s2k s SER 92 Ca 0.11 0.65 0.02 0.00 0.70 0.00 0.00 55.95 57.43 1s2k s SER 92 Cb -0.10 0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1s2k s SER 92 CO 0.00 -0.40 -0.08 0.68 1.20 0.00 0.00 173.24 174.64 1s2k s VAL 93 N -0.70 0.62 -0.04 4.45 -7.23 -0.64 0.20 120.40 117.06 1s2k s VAL 93 Ca -0.08 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1s2k s VAL 93 Cb -0.03 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 36.05 1s2k s VAL 93 CO 0.05 -0.48 0.10 -0.89 -0.31 0.00 0.00 175.10 173.57 1s2k s THR 94 N -1.88 -0.03 -0.39 5.32 2.01 0.05 -1.94 115.64 118.78 1s2k s THR 94 Ca -0.04 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1s2k s THR 94 Cb -0.07 -0.16 0.11 0.00 0.01 0.00 0.00 72.50 72.39 1s2k s THR 94 CO -0.01 0.04 0.15 0.00 -0.69 0.00 0.00 174.62 174.12 1s2k s ALA 95 N 0.66 3.07 -0.33 7.40 0.00 0.02 -0.77 121.76 131.81 1s2k s ALA 95 Ca -0.05 -2.51 0.27 0.00 0.00 0.00 0.00 51.96 49.67 1s2k s ALA 95 Cb -0.07 -2.27 0.82 0.00 0.00 0.00 0.00 23.12 21.59 1s2k s ALA 95 CO -0.03 -1.75 1.77 1.79 0.00 0.00 0.00 175.76 177.54 1s2k h THR 96 N 6.44 0.00 -2.52 0.00 1.35 -1.37 -3.43 112.91 113.38 1s2k h THR 96 Ca -0.11 -0.66 0.05 0.00 -0.55 0.00 0.00 66.41 65.14 1s2k h THR 96 Cb 1.04 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 1s2k h THR 96 CO 0.64 0.00 0.33 -1.54 -0.25 0.00 0.00 175.52 174.70 1s2k n SER 97 N -2.84 -1.51 0.00 5.36 3.41 -0.85 -4.95 113.62 112.25 1s2k n SER 97 Ca 0.03 -1.93 0.10 0.00 -0.26 0.00 0.00 58.87 56.81 1s2k n SER 97 Cb 0.41 2.48 0.46 0.00 -0.26 0.00 0.00 64.21 67.30 1s2k n SER 97 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s2k n ASP 98 N -1.25 0.00 0.00 4.04 9.92 -1.26 -3.45 116.55 124.54 1s2k n ASP 98 Ca -0.04 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.72 1s2k n ASP 98 Cb 0.44 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1s2k n ASP 98 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1s2k n THR 99 N -1.50 0.42 -3.82 -3.53 5.66 -1.26 -0.31 114.28 109.94 1s2k n THR 99 Ca 0.05 -0.43 -0.12 0.00 -3.05 0.00 0.00 64.05 60.50 1s2k n THR 99 Cb 0.25 0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 69.75 1s2k n THR 99 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1s2k s SER 100 N -0.42 -0.12 0.00 1.09 1.04 -1.22 -2.25 113.70 111.81 1s2k s SER 100 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1s2k s SER 100 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1s2k s SER 100 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1s2k n GLY 101 N 1.90 -0.55 3.43 7.32 0.00 -1.03 -1.00 105.19 115.26 1s2k n GLY 101 Ca -0.19 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1s2k n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s2k s SER 102 N -4.00 -0.35 -0.04 1.61 1.04 0.05 -0.23 113.70 111.78 1s2k s SER 102 Ca 0.00 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1s2k s SER 102 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1s2k s SER 102 CO 0.00 -0.97 -0.08 0.00 0.98 0.00 0.00 173.24 173.17 1s2k s ALA 103 N -3.81 0.86 -0.00 5.32 0.00 -0.56 -0.77 121.76 122.79 1s2k s ALA 103 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1s2k s ALA 103 Cb -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1s2k s ALA 103 CO -0.09 0.08 -0.13 0.99 0.00 0.00 0.00 175.76 176.62 1s2k s THR 104 N 0.53 1.00 -0.06 0.00 2.01 0.13 -1.56 115.64 117.69 1s2k s THR 104 Ca -0.08 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1s2k s THR 104 Cb -0.12 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.57 1s2k s THR 104 CO 0.01 0.24 0.03 -0.22 -0.69 0.00 0.00 174.62 173.99 1s2k s LEU 105 N -0.41 0.37 -0.12 4.42 2.96 -0.38 -0.98 118.68 124.56 1s2k s LEU 105 Ca 0.04 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1s2k s LEU 105 Cb -0.05 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.36 1s2k s LEU 105 CO -0.00 -0.22 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.00 1s2k s GLU 106 N 2.07 1.82 0.60 1.98 2.12 -0.35 -0.72 118.70 126.22 1s2k s GLU 106 Ca 0.05 -0.39 0.39 0.00 0.36 0.00 0.00 54.97 55.38 1s2k s GLU 106 Cb -0.12 -1.73 1.90 0.00 0.26 0.00 0.00 34.13 34.44 1s2k s GLU 106 CO -0.04 -0.20 2.17 -0.97 -0.54 0.00 0.00 175.26 175.68 1s2k h ASN 107 N 7.90 0.00 0.00 -1.70 -0.73 -1.42 0.12 115.58 119.75 1s2k h ASN 107 Ca -0.32 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.85 1s2k h ASN 107 Cb 1.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1s2k h ASN 107 CO 0.46 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.70 1s2k n LEU 108 N -3.04 0.00 0.05 0.34 4.32 -1.22 -3.71 117.00 113.74 1s2k n LEU 108 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.80 1s2k n LEU 108 Cb 0.18 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.83 1s2k n LEU 108 CO 0.23 0.00 -0.45 0.74 -1.22 0.00 0.00 177.39 176.69 1s2k h THR 109 N 0.00 1.02 0.00 -5.08 2.02 -1.89 -3.36 112.91 105.62 1s2k h THR 109 Ca 0.00 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.50 1s2k h THR 109 Cb 0.00 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1s2k h THR 109 CO 0.00 0.81 -1.49 0.35 0.37 0.00 0.00 175.52 175.56 1s2k n THR 110 N -3.44 0.04 -0.89 3.16 -2.24 -1.26 -4.98 114.28 104.67 1s2k n THR 110 Ca -0.20 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1s2k n THR 110 Cb 1.05 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1s2k n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s2k n GLY 111 N 1.36 0.52 3.89 3.38 0.00 -1.26 -5.04 105.19 108.04 1s2k n GLY 111 Ca -0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1s2k n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s2k s GLN 112 N -0.62 3.70 -0.18 1.61 -0.21 -1.26 -4.92 119.66 117.79 1s2k s GLN 112 Ca 0.00 0.13 -0.14 0.00 0.02 0.00 0.00 55.36 55.38 1s2k s GLN 112 Cb 0.00 -2.63 0.05 0.00 1.00 0.00 0.00 33.01 31.43 1s2k s GLN 112 CO 0.00 0.24 0.45 0.21 -2.12 0.00 0.00 175.29 174.07 1s2k s LYS 113 N -3.30 0.50 0.08 2.91 2.20 -1.26 -1.29 119.74 119.58 1s2k s LYS 113 Ca 0.46 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 56.84 1s2k s LYS 113 Cb -0.11 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 1s2k s LYS 113 CO 0.27 -0.10 -0.15 0.14 -0.36 0.00 0.00 175.35 175.15 1s2k s VAL 114 N 0.69 1.23 0.04 4.02 -7.23 0.10 -4.98 120.40 114.28 1s2k s VAL 114 Ca -0.04 -1.36 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 1s2k s VAL 114 Cb -0.05 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.74 1s2k s VAL 114 CO -0.05 -0.20 0.35 -0.55 -0.31 0.00 0.00 175.10 174.34 1s2k s SER 115 N -1.79 -0.19 -0.06 4.85 0.15 -1.26 -1.24 113.70 114.15 1s2k s SER 115 Ca -0.00 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1s2k s SER 115 Cb -0.10 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1s2k s SER 115 CO 0.03 -0.64 0.15 -0.75 1.20 0.00 0.00 173.24 173.23 1s2k s LYS 116 N -2.54 0.12 -0.07 5.44 2.47 -0.60 -5.00 119.74 119.56 1s2k s LYS 116 Ca -0.05 0.32 -0.02 0.00 -1.56 0.00 0.00 55.97 54.66 1s2k s LYS 116 Cb -0.01 -0.09 -0.04 0.00 -1.46 0.00 0.00 37.83 36.24 1s2k s LYS 116 CO -0.03 -0.12 0.04 -1.12 0.16 0.00 0.00 175.35 174.29 1s2k s SER 117 N 0.80 5.52 0.15 1.43 0.01 -1.26 -1.50 113.70 118.85 1s2k s SER 117 Ca -0.06 0.19 0.11 0.00 1.31 0.00 0.00 55.95 57.50 1s2k s SER 117 Cb -0.08 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1s2k s SER 117 CO -0.04 0.36 -0.23 -0.36 0.41 0.00 0.00 173.24 173.37 1s2k s PHE 118 N -0.98 2.37 -0.14 2.43 0.40 0.69 -4.98 117.98 117.77 1s2k s PHE 118 Ca 0.16 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1s2k s PHE 118 Cb -0.12 -1.25 0.08 0.00 0.51 0.00 0.00 43.02 42.25 1s2k s PHE 118 CO 0.05 0.40 0.75 -1.54 0.70 0.00 0.00 175.22 175.58 1s2k s SER 119 N -2.27 -0.64 -1.51 1.36 1.04 -1.26 -2.47 113.70 107.96 1s2k s SER 119 Ca 0.17 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.39 1s2k s SER 119 Cb -0.10 0.80 0.08 0.00 0.10 0.00 0.00 66.02 66.90 1s2k s SER 119 CO 0.08 -0.45 0.91 0.59 0.98 0.00 0.00 173.24 175.35 1s2k n ASN 120 N 1.48 -4.00 -4.66 7.02 3.02 -0.96 -4.88 115.26 112.29 1s2k n ASN 120 Ca -0.16 -0.81 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 1s2k n ASN 120 Cb 0.56 -3.80 -0.03 0.00 -0.61 0.00 0.00 39.78 35.91 1s2k n ASN 120 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s2k s GLU 121 N -6.55 4.14 -0.01 3.52 0.41 -1.12 -4.86 118.70 114.23 1s2k s GLU 121 Ca 0.55 1.95 0.16 0.00 -0.41 0.00 0.00 54.97 57.22 1s2k s GLU 121 Cb -0.28 -3.92 -0.22 0.00 -1.78 0.00 0.00 34.13 27.93 1s2k s GLU 121 CO 0.84 -0.87 0.48 0.43 -0.49 0.00 0.00 175.26 175.65 1s2k n SER 122 N 7.15 1.08 0.12 -0.19 7.64 -1.26 -4.37 113.62 123.79 1s2k n SER 122 Ca 0.16 -0.34 0.11 0.00 1.01 0.00 0.00 58.87 59.81 1s2k n SER 122 Cb 0.44 1.45 0.61 0.00 -1.01 0.00 0.00 64.21 65.70 1s2k n SER 122 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1s2k h SER 123 N 0.00 0.10 0.00 6.43 0.87 -1.93 -3.44 113.55 115.58 1s2k h SER 123 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1s2k h SER 123 Cb 0.59 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1s2k h SER 123 CO 0.00 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 1s2k n GLY 124 N -1.56 1.77 3.85 5.77 0.00 -1.26 -5.02 105.19 108.74 1s2k n GLY 124 Ca 0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1s2k n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s2k s SER 125 N 0.00 5.80 0.38 1.61 0.15 -1.26 -4.82 113.70 115.55 1s2k s SER 125 Ca 0.00 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1s2k s SER 125 Cb 0.00 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1s2k s SER 125 CO 0.00 0.07 0.65 -0.76 1.20 0.00 0.00 173.24 174.40 1s2k s LEU 126 N -3.09 3.89 -0.06 3.45 1.43 0.58 -3.30 118.68 121.58 1s2k s LEU 126 Ca 0.32 0.77 0.11 0.00 -1.03 0.00 0.00 54.13 54.30 1s2k s LEU 126 Cb -0.11 -3.65 -0.17 0.00 0.03 0.00 0.00 46.19 42.30 1s2k s LEU 126 CO 0.25 -0.36 0.17 0.00 0.23 0.00 0.00 176.35 176.64 1s2k n ARG 128 N -2.13 -4.82 -0.00 0.00 5.12 -1.26 -4.52 116.66 109.05 1s2k n ARG 128 Ca -0.09 0.67 0.05 0.00 -1.93 0.00 0.00 57.85 56.55 1s2k n ARG 128 Cb 0.55 -5.10 -0.07 0.00 -1.16 0.00 0.00 32.46 26.68 1s2k n ARG 128 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1s2k n THR 129 N -4.31 0.00 -4.91 0.55 -2.24 -1.26 -1.24 114.28 100.86 1s2k n THR 129 Ca -0.04 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 1s2k n THR 129 Cb 0.57 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 69.50 1s2k n THR 129 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1s2k s ASN 130 N -2.31 2.27 -0.04 3.42 0.02 -1.26 0.29 114.94 117.34 1s2k s ASN 130 Ca 0.03 -0.36 0.03 0.00 -1.02 0.00 0.00 52.86 51.53 1s2k s ASN 130 Cb 0.08 -0.46 0.00 0.00 0.02 0.00 0.00 41.25 40.90 1s2k s ASN 130 CO 0.47 0.20 -0.13 0.00 0.02 0.00 0.00 177.10 177.66 1s2k s ALA 131 N -0.21 1.20 0.06 0.60 0.00 -0.36 0.53 121.76 123.58 1s2k s ALA 131 Ca 0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1s2k s ALA 131 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1s2k s ALA 131 CO 0.01 0.18 0.33 -1.83 0.00 0.00 0.00 175.76 174.45 1s2k s GLU 132 N 0.28 0.87 -0.22 0.00 1.03 -0.50 0.28 118.70 120.44 1s2k s GLU 132 Ca -0.07 -0.54 0.00 0.00 0.03 0.00 0.00 54.97 54.40 1s2k s GLU 132 Cb -0.12 0.38 0.06 0.00 -0.80 0.00 0.00 34.13 33.65 1s2k s GLU 132 CO 0.02 -0.29 -0.05 -0.06 -1.33 0.00 0.00 175.26 173.55 1s2k s PHE 133 N -2.80 2.18 0.05 4.83 0.40 -0.57 -1.37 117.98 120.71 1s2k s PHE 133 Ca -0.03 -1.57 0.06 0.00 -0.60 0.00 0.00 56.93 54.78 1s2k s PHE 133 Cb -0.00 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 1s2k s PHE 133 CO -0.05 -0.74 -0.16 0.42 0.70 0.00 0.00 175.22 175.40 1s2k s ILE 134 N 1.47 1.26 -0.17 0.64 -1.09 -0.16 -1.63 121.20 121.52 1s2k s ILE 134 Ca -0.04 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.21 1s2k s ILE 134 Cb -0.18 -1.15 -0.01 0.00 -1.58 0.00 0.00 42.46 39.54 1s2k s ILE 134 CO -0.07 -0.02 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.89 1s2k s ILE 135 N -0.97 3.19 0.06 2.92 -1.09 0.18 -1.24 121.20 124.25 1s2k s ILE 135 Ca 0.02 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.90 1s2k s ILE 135 Cb -0.09 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 1s2k s ILE 135 CO 0.02 0.49 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.39 1s2k s GLU 136 N 0.81 0.75 -0.78 2.79 2.12 0.09 -0.20 118.70 124.28 1s2k s GLU 136 Ca -0.03 -0.90 -0.15 0.00 0.36 0.00 0.00 54.97 54.25 1s2k s GLU 136 Cb -0.15 -0.71 0.19 0.00 0.26 0.00 0.00 34.13 33.72 1s2k s GLU 136 CO 0.01 0.15 0.76 0.34 -0.54 0.00 0.00 175.26 175.99 1s2k s ASP 137 N -1.68 6.63 0.99 -1.70 3.68 -0.53 -2.24 116.67 121.82 1s2k s ASP 137 Ca -0.04 -2.41 -0.14 0.00 2.13 0.00 0.00 52.55 52.09 1s2k s ASP 137 Cb -0.10 -2.24 0.18 0.00 -1.45 0.00 0.00 42.92 39.32 1s2k s ASP 137 CO 0.02 -0.70 1.15 0.72 0.13 0.00 0.00 175.17 176.48 1s2k s PHE 138 N 0.81 1.97 0.14 -5.34 -0.71 -1.26 -4.73 117.98 108.85 1s2k s PHE 138 Ca 0.17 0.74 0.06 0.00 -1.04 0.00 0.00 56.93 56.86 1s2k s PHE 138 Cb -0.13 -3.47 -0.04 0.00 -1.21 0.00 0.00 43.02 38.17 1s2k s PHE 138 CO -0.06 -2.77 0.02 -1.21 -1.34 0.00 0.00 175.22 169.85 1s2k s GLU 139 N -5.33 2.52 -0.14 1.99 2.02 -1.26 -1.09 118.70 117.41 1s2k s GLU 139 Ca 0.67 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.72 1s2k s GLU 139 Cb -0.13 -2.47 0.01 0.00 0.10 0.00 0.00 34.13 31.64 1s2k s GLU 139 CO 0.54 0.50 -0.22 -1.21 0.02 0.00 0.00 175.26 174.89 1s2k s GLU 140 N -2.68 3.03 0.37 1.61 0.41 0.52 -4.90 118.70 117.05 1s2k s GLU 140 Ca 0.27 -0.85 0.08 0.00 -0.41 0.00 0.00 54.97 54.06 1s2k s GLU 140 Cb -0.10 -2.44 -0.06 0.00 -1.78 0.00 0.00 34.13 29.75 1s2k s GLU 140 CO 0.19 -0.01 0.01 0.00 -0.49 0.00 0.00 175.26 174.96 1s2k n ASN 142 N -0.96 0.00 -3.54 0.00 5.15 -0.90 -5.00 115.26 110.02 1s2k n ASN 142 Ca -0.04 -0.68 -0.27 0.00 -0.60 0.00 0.00 54.58 52.98 1s2k n ASN 142 Cb 0.64 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.91 1s2k n ASN 142 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s2k n SER 143 N -0.21 -5.62 0.00 1.20 3.41 -1.26 -2.68 113.62 108.45 1s2k n SER 143 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1s2k n SER 143 Cb 0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 64.21 61.66 1s2k n SER 143 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s2k n ASN 144 N -1.39 0.00 0.00 4.04 3.02 -1.26 -1.23 115.26 118.44 1s2k n ASN 144 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1s2k n ASN 144 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1s2k n ASN 144 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s2k n GLY 145 N 0.00 0.00 0.00 7.41 0.00 -1.09 -4.99 105.19 106.52 1s2k n GLY 145 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1s2k n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s2k n SER 146 N 0.00 0.00 -3.53 1.61 3.41 -0.37 -4.51 113.62 110.23 1s2k n SER 146 Ca 0.00 0.43 -0.24 0.00 -0.26 0.00 0.00 58.87 58.80 1s2k n SER 146 Cb 0.00 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.34 1s2k n SER 146 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s2k s ASP 147 N -2.93 2.41 -0.07 4.04 3.68 -1.23 -5.08 116.67 117.49 1s2k s ASP 147 Ca 0.09 -0.75 0.04 0.00 2.13 0.00 0.00 52.55 54.06 1s2k s ASP 147 Cb 0.11 -0.04 -0.00 0.00 -1.45 0.00 0.00 42.92 41.54 1s2k s ASP 147 CO 0.29 -0.38 -0.21 0.00 0.13 0.00 0.00 175.17 175.00 1s2k s GLU 149 N 0.17 0.65 0.21 0.00 0.41 -0.44 -4.94 118.70 114.75 1s2k s GLU 149 Ca -0.10 -0.70 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 1s2k s GLU 149 Cb -0.15 -0.54 -0.08 0.00 -1.78 0.00 0.00 34.13 31.58 1s2k s GLU 149 CO 0.05 0.12 1.10 -0.06 -0.49 0.00 0.00 175.26 175.98 1s2k s PHE 150 N -1.04 3.60 0.51 1.61 0.40 -1.26 -0.35 117.98 121.44 1s2k s PHE 150 Ca -0.04 1.63 -0.20 0.00 -0.60 0.00 0.00 56.93 57.72 1s2k s PHE 150 Cb -0.08 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 40.10 1s2k s PHE 150 CO 0.01 -0.58 1.09 0.14 0.70 0.00 0.00 175.22 176.57 1s2k s VAL 151 N -0.53 3.46 0.32 -0.44 -7.23 -0.25 -4.89 120.40 110.85 1s2k s VAL 151 Ca 0.48 0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 61.27 1s2k s VAL 151 Cb -0.30 -3.37 -0.12 0.00 0.56 0.00 0.00 36.38 33.15 1s2k s VAL 151 CO 0.37 -0.19 1.49 -2.65 -0.31 0.00 0.00 175.10 173.81 1s2k n PRO 152 N -1.11 2.52 -2.67 4.82 -0.02 -1.26 -4.81 135.00 132.48 1s2k n PRO 152 Ca 0.10 0.89 -0.43 0.00 -2.02 0.00 0.00 63.50 62.05 1s2k n PRO 152 Cb 0.52 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1s2k n PRO 152 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s2k s PHE 153 N -0.56 3.18 0.51 6.00 5.99 -1.26 -0.84 117.98 131.00 1s2k s PHE 153 Ca 0.59 1.20 -0.20 0.00 0.00 0.00 0.00 56.93 58.53 1s2k s PHE 153 Cb -0.52 -3.58 -0.07 0.00 0.00 0.00 0.00 43.02 38.84 1s2k s PHE 153 CO 0.56 -0.70 1.08 0.00 -0.00 0.00 0.00 175.22 176.15 1s2k s ALA 154 N 3.52 2.81 0.45 11.12 0.00 -0.45 -4.75 121.76 134.46 1s2k s ALA 154 Ca 0.44 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 1s2k s ALA 154 Cb -0.13 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1s2k s ALA 154 CO 0.14 -0.50 0.90 -1.54 0.00 0.00 0.00 175.76 174.76 1s2k s SER 155 N -1.88 6.68 0.02 0.00 1.04 -0.76 -4.86 113.70 113.94 1s2k s SER 155 Ca 0.69 1.46 -0.15 0.00 0.48 0.00 0.00 55.95 58.43 1s2k s SER 155 Cb -0.20 -2.46 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1s2k s SER 155 CO 0.23 -0.46 0.32 0.72 0.98 0.00 0.00 173.24 175.03 1s2k s PHE 156 N -2.41 -0.15 -0.11 5.02 -0.12 -1.26 -1.46 117.98 117.49 1s2k s PHE 156 Ca 0.57 0.11 -0.30 0.00 -0.05 0.00 0.00 56.93 57.26 1s2k s PHE 156 Cb -0.10 0.11 0.09 0.00 -0.63 0.00 0.00 43.02 42.49 1s2k s PHE 156 CO 0.26 -0.47 0.78 -1.54 -0.05 0.00 0.00 175.22 174.21 1s2k s SER 157 N -1.78 -0.58 0.51 1.98 1.04 -0.45 -4.40 113.70 110.03 1s2k s SER 157 Ca -0.08 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1s2k s SER 157 Cb -0.02 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1s2k s SER 157 CO -0.00 -0.49 0.00 -0.81 0.98 0.00 0.00 173.24 172.92 1s2k n PRO 158 N 1.08 0.10 -1.98 4.02 -0.04 -1.26 -0.22 135.00 136.70 1s2k n PRO 158 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 1s2k n PRO 158 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 1s2k n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s2k s ALA 159 N -3.25 2.91 -0.28 0.55 0.00 -1.26 -4.80 121.76 115.62 1s2k s ALA 159 Ca 0.00 1.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 1s2k s ALA 159 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1s2k s ALA 159 CO 0.00 -1.07 0.68 0.08 0.00 0.00 0.00 175.76 175.45 1s2k s VAL 160 N -1.39 4.91 -0.16 0.00 1.01 -0.38 -4.89 120.40 119.51 1s2k s VAL 160 Ca 0.67 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1s2k s VAL 160 Cb -0.36 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1s2k s VAL 160 CO 0.43 -0.10 -0.16 -1.61 0.00 0.00 0.00 175.10 173.66 1s2k s GLU 161 N 2.67 3.18 -0.50 2.72 2.02 -1.26 -0.94 118.70 126.58 1s2k s GLU 161 Ca 0.28 -0.77 -0.22 0.00 0.02 0.00 0.00 54.97 54.28 1s2k s GLU 161 Cb -0.15 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.52 1s2k s GLU 161 CO 0.10 -0.00 0.79 -0.06 0.02 0.00 0.00 175.26 176.11 1s2k s PHE 162 N 0.85 2.93 0.24 1.61 0.08 0.83 -3.72 117.98 120.81 1s2k s PHE 162 Ca -0.05 -0.10 0.06 0.00 0.12 0.00 0.00 56.93 56.96 1s2k s PHE 162 Cb -0.15 -3.76 -0.03 0.00 -0.57 0.00 0.00 43.02 38.50 1s2k s PHE 162 CO -0.01 -1.13 0.24 0.95 -0.10 0.00 0.00 175.22 175.16 1s2k s THR 163 N 3.34 4.68 -1.54 0.64 -4.23 0.70 -1.03 115.64 118.20 1s2k s THR 163 Ca 0.26 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1s2k s THR 163 Cb -0.14 -3.52 0.09 0.00 1.34 0.00 0.00 72.50 70.26 1s2k s THR 163 CO 0.18 -0.32 0.84 0.47 -0.54 0.00 0.00 174.62 175.25 1s2k n ASP 164 N -1.16 -3.54 -4.77 3.99 8.00 -1.09 -1.44 116.55 116.54 1s2k n ASP 164 Ca -0.08 -0.87 -0.41 0.00 0.71 0.00 0.00 54.79 54.14 1s2k n ASP 164 Cb 0.57 -3.51 -0.01 0.00 -0.02 0.00 0.00 41.12 38.16 1s2k n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2k s SER 166 N 0.03 0.11 -0.04 0.00 0.15 0.59 -4.88 113.70 109.65 1s2k s SER 166 Ca 0.56 0.07 0.02 0.00 0.70 0.00 0.00 55.95 57.30 1s2k s SER 166 Cb -0.46 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1s2k s SER 166 CO 0.56 -0.14 -0.08 -0.69 1.20 0.00 0.00 173.24 174.10 1s2k s VAL 167 N 1.15 0.76 0.05 4.45 1.01 -1.26 -1.03 120.40 125.54 1s2k s VAL 167 Ca -0.08 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1s2k s VAL 167 Cb -0.13 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1s2k s VAL 167 CO -0.03 0.26 -0.22 -0.89 0.00 0.00 0.00 175.10 174.21 1s2k s THR 168 N 0.60 1.81 -0.07 3.92 2.01 -0.32 -0.59 115.64 123.00 1s2k s THR 168 Ca -0.10 -1.29 -0.01 0.00 0.31 0.00 0.00 61.69 60.60 1s2k s THR 168 Cb -0.13 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.84 1s2k s THR 168 CO 0.01 0.23 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.61 1s2k s SER 169 N -1.27 1.61 -1.29 3.53 0.15 0.13 0.83 113.70 117.41 1s2k s SER 169 Ca 0.09 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 1s2k s SER 169 Cb -0.09 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 1s2k s SER 169 CO 0.02 -0.18 0.07 0.47 1.20 0.00 0.00 173.24 174.82 1s2k n ASP 170 N 5.09 -4.54 0.00 5.45 8.00 -0.70 -0.70 116.55 129.15 1s2k n ASP 170 Ca -0.08 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1s2k n ASP 170 Cb 0.50 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1s2k n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s2k n GLY 171 N -0.93 2.40 3.91 0.44 0.00 -1.26 -5.04 105.19 104.71 1s2k n GLY 171 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1s2k n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s2k s GLU 172 N -0.59 3.47 0.53 1.61 0.41 0.12 -5.03 118.70 119.22 1s2k s GLU 172 Ca 0.00 -0.32 -0.20 0.00 -0.41 0.00 0.00 54.97 54.04 1s2k s GLU 172 Cb 0.00 -3.06 -0.06 0.00 -1.78 0.00 0.00 34.13 29.24 1s2k s GLU 172 CO 0.00 0.63 1.17 -1.12 -0.49 0.00 0.00 175.26 175.45 1s2k s SER 173 N -2.16 5.68 -0.14 -0.19 0.01 -1.26 0.20 113.70 115.84 1s2k s SER 173 Ca 0.31 2.29 -0.01 0.00 1.31 0.00 0.00 55.95 59.85 1s2k s SER 173 Cb -0.13 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.55 1s2k s SER 173 CO 0.22 -1.25 -0.02 -0.69 0.41 0.00 0.00 173.24 171.91 1s2k s VAL 174 N -1.64 0.78 0.84 3.43 1.01 0.24 -4.81 120.40 120.25 1s2k s VAL 174 Ca 0.72 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1s2k s VAL 174 Cb -0.28 -0.99 0.10 0.00 0.00 0.00 0.00 36.38 35.21 1s2k s VAL 174 CO 0.31 0.14 1.09 -0.94 0.00 0.00 0.00 175.10 175.70 1s2k s SER 175 N 1.78 4.03 0.00 3.32 1.04 -1.26 -4.21 113.70 118.40 1s2k s SER 175 Ca 0.02 1.43 0.25 0.00 0.48 0.00 0.00 55.95 58.14 1s2k s SER 175 Cb -0.14 -2.14 0.97 0.00 0.10 0.00 0.00 66.02 64.80 1s2k s SER 175 CO -0.07 -2.28 1.69 0.18 0.98 0.00 0.00 173.24 173.73 1s2k n LEU 176 N -3.65 1.47 -0.33 2.42 4.32 -1.26 -4.43 117.00 115.54 1s2k n LEU 176 Ca 0.07 -0.54 0.20 0.00 -0.02 0.00 0.00 56.01 55.72 1s2k n LEU 176 Cb 0.55 -0.04 0.39 0.00 -1.62 0.00 0.00 43.42 42.70 1s2k n LEU 176 CO 0.56 0.27 0.91 0.44 -1.22 0.00 0.00 177.39 178.35 1s2k h ASP 177 N 2.15 -0.13 -0.42 -1.43 5.19 -1.92 -0.40 116.42 119.45 1s2k h ASP 177 Ca 0.00 0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.54 1s2k h ASP 177 Cb 0.46 0.38 -0.08 0.00 0.18 0.00 0.00 39.33 40.27 1s2k h ASP 177 CO 0.00 -0.35 0.06 -0.67 -3.12 0.00 0.00 179.24 175.16 1s2k n ASP 178 N -5.37 3.58 -4.78 6.45 2.03 -1.26 -5.02 116.55 112.17 1s2k n ASP 178 Ca 0.28 -3.35 -0.37 0.00 0.52 0.00 0.00 54.79 51.88 1s2k n ASP 178 Cb 0.92 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 1s2k n ASP 178 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s2k s ALA 179 N -3.03 3.04 0.38 -1.67 0.00 -0.16 -4.87 121.76 115.45 1s2k s ALA 179 Ca 0.46 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 1s2k s ALA 179 Cb 0.39 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 1s2k s ALA 179 CO 0.07 -0.35 0.91 -0.65 0.00 0.00 0.00 175.76 175.73 1s2k s GLN 180 N -2.59 4.27 -0.08 0.00 -0.21 0.60 -4.81 119.66 116.84 1s2k s GLN 180 Ca 0.60 1.09 0.02 0.00 0.02 0.00 0.00 55.36 57.09 1s2k s GLN 180 Cb -0.24 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.38 1s2k s GLN 180 CO 0.29 0.08 -0.14 0.42 -2.12 0.00 0.00 175.29 173.82 1s2k s ILE 181 N -2.01 3.05 0.15 1.08 1.01 -1.26 -1.07 121.20 122.15 1s2k s ILE 181 Ca 0.58 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.57 1s2k s ILE 181 Cb -0.11 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1s2k s ILE 181 CO 0.16 0.57 -0.11 0.28 0.00 0.00 0.00 174.94 175.84 1s2k s THR 182 N -0.33 1.23 0.07 2.92 -1.32 -0.44 -4.98 115.64 112.80 1s2k s THR 182 Ca 0.03 -2.04 0.04 0.00 -1.21 0.00 0.00 61.69 58.51 1s2k s THR 182 Cb -0.13 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1s2k s THR 182 CO 0.02 -0.70 -0.12 -1.10 -2.21 0.00 0.00 174.62 170.51 1s2k s GLN 183 N -3.62 0.75 0.13 7.08 -1.52 -1.18 -0.74 119.66 120.55 1s2k s GLN 183 Ca 0.16 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 1s2k s GLN 183 Cb 0.01 -0.64 -0.06 0.00 -0.22 0.00 0.00 33.01 32.10 1s2k s GLN 183 CO 0.01 0.13 1.07 0.08 -0.25 0.00 0.00 175.29 176.34 1s2k s VAL 184 N -1.51 4.13 -0.08 1.09 1.01 -1.21 -4.55 120.40 119.29 1s2k s VAL 184 Ca -0.03 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1s2k s VAL 184 Cb -0.09 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1s2k s VAL 184 CO 0.01 0.25 -0.08 -0.63 0.00 0.00 0.00 175.10 174.66 1s2k s ILE 185 N 0.14 0.91 -0.03 2.22 1.01 0.29 -0.88 121.20 124.87 1s2k s ILE 185 Ca 0.51 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.90 1s2k s ILE 185 Cb -0.27 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1s2k s ILE 185 CO 0.32 0.33 -0.10 -0.63 0.00 0.00 0.00 174.94 174.86 1s2k s ILE 186 N 1.25 0.84 -1.53 2.92 1.01 -0.64 -0.63 121.20 124.42 1s2k s ILE 186 Ca -0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 1s2k s ILE 186 Cb -0.14 -0.76 0.07 0.00 0.01 0.00 0.00 42.46 41.64 1s2k s ILE 186 CO -0.03 0.27 0.68 0.59 0.00 0.00 0.00 174.94 176.45 1s2k n ASN 187 N 3.42 -2.31 -3.33 3.58 3.02 0.30 -1.24 115.26 118.70 1s2k n ASN 187 Ca -0.19 -0.95 -0.24 0.00 -0.03 0.00 0.00 54.58 53.17 1s2k n ASN 187 Cb 0.53 -3.19 0.04 0.00 -0.61 0.00 0.00 39.78 36.55 1s2k n ASN 187 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1s2k n ASN 188 N -2.85 -5.62 -3.81 6.41 5.15 -1.26 -5.00 115.26 108.28 1s2k n ASN 188 Ca -0.11 -0.43 -0.14 0.00 -0.60 0.00 0.00 54.58 53.30 1s2k n ASN 188 Cb 0.59 -4.51 -0.15 0.00 -0.53 0.00 0.00 39.78 35.17 1s2k n ASN 188 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1s2k s GLN 189 N -6.02 0.01 0.15 1.20 0.74 -0.37 -5.12 119.66 110.25 1s2k s GLN 189 Ca 0.44 0.11 -0.31 0.00 0.05 0.00 0.00 55.36 55.64 1s2k s GLN 189 Cb -0.20 -0.19 -0.09 0.00 1.10 0.00 0.00 33.01 33.62 1s2k s GLN 189 CO 0.54 -0.10 1.51 -0.51 -0.55 0.00 0.00 175.29 176.18 1s2k s ASP 190 N 0.69 6.66 0.00 6.67 1.01 -1.26 -1.62 116.67 128.82 1s2k s ASP 190 Ca -0.06 2.53 0.10 0.00 0.71 0.00 0.00 52.55 55.83 1s2k s ASP 190 Cb -0.09 -2.59 0.17 0.00 1.01 0.00 0.00 42.92 41.42 1s2k s ASP 190 CO -0.02 -0.77 1.01 1.33 0.21 0.00 0.00 175.17 176.93 1s2k n VAL 191 N 3.92 0.48 -4.02 -1.27 0.24 -0.06 -4.76 118.33 112.85 1s2k n VAL 191 Ca 0.13 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.34 61.61 1s2k n VAL 191 Cb 0.40 0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 33.53 1s2k n VAL 191 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1s2k s THR 192 N -0.91 0.16 -0.45 3.34 -4.23 -1.24 -0.79 115.64 111.52 1s2k s THR 192 Ca 0.16 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1s2k s THR 192 Cb 0.10 -0.95 0.14 0.00 1.34 0.00 0.00 72.50 73.13 1s2k s THR 192 CO 0.13 -0.75 0.26 -0.62 -0.54 0.00 0.00 174.62 173.10 1s2k s ASP 193 N -2.25 3.55 -0.12 3.99 3.68 0.35 -4.69 116.67 121.19 1s2k s ASP 193 Ca -0.03 -2.70 -0.12 0.00 2.13 0.00 0.00 52.55 51.82 1s2k s ASP 193 Cb -0.00 -1.00 -0.05 0.00 -1.45 0.00 0.00 42.92 40.42 1s2k s ASP 193 CO -0.06 -0.25 0.28 0.00 0.13 0.00 0.00 175.17 175.26 1s2k s SER 195 N -0.24 0.29 0.14 0.00 1.04 0.22 -4.89 113.70 110.26 1s2k s SER 195 Ca 0.17 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 55.99 1s2k s SER 195 Cb -0.13 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1s2k s SER 195 CO 0.06 -0.50 -0.06 -0.69 0.98 0.00 0.00 173.24 173.03 1s2k s VAL 196 N -2.84 3.49 -0.30 5.02 1.01 -1.26 -0.58 120.40 124.93 1s2k s VAL 196 Ca -0.03 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 60.42 1s2k s VAL 196 Cb 0.00 -2.69 0.17 0.00 0.00 0.00 0.00 36.38 33.86 1s2k s VAL 196 CO -0.06 -0.00 1.03 -0.94 0.00 0.00 0.00 175.10 175.12 1s2k s SER 197 N -2.58 -0.51 1.66 3.32 1.04 -0.55 -5.01 113.70 111.07 1s2k s SER 197 Ca 0.24 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1s2k s SER 197 Cb -0.10 1.55 0.00 0.00 0.10 0.00 0.00 66.02 67.57 1s2k s SER 197 CO 0.16 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1s2k n GLY 198 N 5.02 3.01 0.63 7.32 0.00 -1.26 -1.43 105.19 118.48 1s2k n GLY 198 Ca -0.08 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1s2k n GLY 198 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s2k n THR 199 N 0.00 2.20 -5.20 2.61 -2.24 -1.26 -4.50 114.28 105.89 1s2k n THR 199 Ca 0.00 -2.40 -0.32 0.00 -2.27 0.00 0.00 64.05 59.06 1s2k n THR 199 Cb 0.00 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 67.80 1s2k n THR 199 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s2k s THR 200 N -3.00 2.17 -0.25 4.28 2.01 -0.51 -0.56 115.64 119.77 1s2k s THR 200 Ca 0.39 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 61.37 1s2k s THR 200 Cb 0.34 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 71.08 1s2k s THR 200 CO 0.03 0.56 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.75 1s2k s VAL 201 N 0.02 2.63 -0.17 3.82 1.01 -0.20 -1.48 120.40 126.03 1s2k s VAL 201 Ca -0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.64 1s2k s VAL 201 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1s2k s VAL 201 CO 0.05 0.12 -0.10 -0.55 0.00 0.00 0.00 175.10 174.63 1s2k s SER 202 N 1.25 4.03 -0.24 3.32 0.15 0.25 -0.12 113.70 122.34 1s2k s SER 202 Ca -0.03 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.25 1s2k s SER 202 Cb -0.18 -1.65 0.05 0.00 -1.71 0.00 0.00 66.02 62.53 1s2k s SER 202 CO -0.05 0.07 -0.13 0.00 1.20 0.00 0.00 173.24 174.33 1s2k s SER 204 N 1.16 6.60 0.31 0.00 0.01 -0.63 -1.25 113.70 119.91 1s2k s SER 204 Ca -0.05 0.73 -0.26 0.00 1.31 0.00 0.00 55.95 57.68 1s2k s SER 204 Cb -0.18 -2.15 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 1s2k s SER 204 CO -0.07 0.21 0.93 -0.47 0.41 0.00 0.00 173.24 174.26 1s2k s TYR 205 N -1.33 3.70 0.00 2.43 6.14 -1.26 -0.49 117.35 126.54 1s2k s TYR 205 Ca 0.30 1.76 0.00 0.00 0.64 0.00 0.00 57.07 59.78 1s2k s TYR 205 Cb -0.14 -2.90 0.00 0.00 0.42 0.00 0.00 41.96 39.34 1s2k s TYR 205 CO 0.17 0.23 0.39 0.28 0.64 0.00 0.00 175.55 177.26