#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s GLU 2 N 0.00 4.67 0.17 0.03 2.12 -1.26 -4.97 118.70 119.46 3g6e s GLU 2 Ca 0.00 1.66 -0.34 0.00 0.36 0.00 0.00 54.97 56.66 3g6e s GLU 2 Cb 0.00 -3.27 -0.14 0.00 0.26 0.00 0.00 34.13 30.98 3g6e s GLU 2 CO 0.00 0.22 1.45 0.00 -0.54 0.00 0.00 175.26 176.39 3g6e n ALA 3 N 1.94 0.68 -0.15 6.30 0.00 -1.26 -4.92 120.51 123.10 3g6e n ALA 3 Ca 0.01 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 3g6e n ALA 3 Cb 0.46 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 3g6e n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g6e h LEU 4 N 5.01 0.89 0.00 0.00 3.38 -1.93 -3.48 115.31 119.19 3g6e h LEU 4 Ca -0.45 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.14 3g6e h LEU 4 Cb 1.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3g6e h LEU 4 CO 0.82 1.06 0.00 0.61 0.09 0.00 0.00 178.44 181.02 3g6e n GLY 5 N -0.16 0.91 3.60 0.83 0.00 -1.26 -4.73 105.19 104.38 3g6e n GLY 5 Ca -0.01 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 3g6e n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 6 N -2.00 -1.83 -0.26 4.61 0.00 -1.26 -4.28 121.76 116.74 3g6e s ALA 6 Ca 0.00 1.79 -0.19 0.00 0.00 0.00 0.00 51.96 53.56 3g6e s ALA 6 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3g6e s ALA 6 CO 0.00 -0.32 0.57 -0.51 0.00 0.00 0.00 175.76 175.50 3g6e s ASP 7 N -0.15 6.51 -0.13 0.00 -0.00 -0.28 -4.91 116.67 117.71 3g6e s ASP 7 Ca -0.02 0.62 -0.04 0.00 -0.00 0.00 0.00 52.55 53.11 3g6e s ASP 7 Cb -0.03 -2.31 -0.03 0.00 -0.00 0.00 0.00 42.92 40.54 3g6e s ASP 7 CO 0.02 -0.33 0.01 -0.69 -0.00 0.00 0.00 175.17 174.18 3g6e s VAL 8 N 2.39 4.34 -0.43 -1.27 1.01 -1.26 -0.18 120.40 124.99 3g6e s VAL 8 Ca 0.24 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3g6e s VAL 8 Cb -0.16 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.40 3g6e s VAL 8 CO 0.09 0.54 0.32 -0.89 0.00 0.00 0.00 175.10 175.16 3g6e s THR 9 N -0.22 4.95 -0.15 3.92 2.01 -1.25 -5.02 115.64 119.87 3g6e s THR 9 Ca 0.06 -1.01 -0.32 0.00 0.31 0.00 0.00 61.69 60.73 3g6e s THR 9 Cb -0.12 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 3g6e s THR 9 CO 0.02 -0.46 2.05 0.00 -0.69 0.00 0.00 174.62 175.55 3g6e n GLN 10 N 5.11 2.05 0.00 4.92 3.00 -1.26 -4.81 117.38 126.38 3g6e n GLN 10 Ca -0.12 0.68 0.12 0.00 -0.01 0.00 0.00 57.00 57.67 3g6e n GLN 10 Cb 0.45 -2.85 0.19 0.00 0.00 0.00 0.00 30.24 28.02 3g6e n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g6e n GLY 11 N 5.20 -1.03 3.56 1.08 0.00 -1.14 -4.84 105.19 108.03 3g6e n GLY 11 Ca 0.28 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3g6e n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6e s LEU 12 N -2.89 2.92 0.36 0.99 1.43 0.34 -4.94 118.68 116.90 3g6e s LEU 12 Ca 0.13 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3g6e s LEU 12 Cb 0.18 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3g6e s LEU 12 CO 0.70 0.04 0.09 -1.61 0.23 0.00 0.00 176.35 175.79 3g6e s GLU 13 N -3.41 1.76 0.03 1.70 2.02 -1.26 -0.10 118.70 119.44 3g6e s GLU 13 Ca 0.29 -2.02 -0.30 0.00 0.02 0.00 0.00 54.97 52.95 3g6e s GLU 13 Cb -0.06 -0.73 -0.07 0.00 0.10 0.00 0.00 34.13 33.37 3g6e s GLU 13 CO 0.17 -0.32 1.48 0.21 0.02 0.00 0.00 175.26 176.82 3g6e s LYS 14 N -3.83 4.26 0.00 1.61 2.20 -0.62 -2.15 119.74 121.20 3g6e s LYS 14 Ca 0.31 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 3g6e s LYS 14 Cb 0.06 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3g6e s LYS 14 CO 0.15 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 3g6e n GLY 15 N 3.74 0.28 3.75 5.54 0.00 0.20 -4.97 105.19 113.74 3g6e n GLY 15 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3g6e n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6e s SER 16 N -2.01 6.71 -0.30 1.61 0.01 -0.91 -4.67 113.70 114.14 3g6e s SER 16 Ca 0.00 2.66 -0.15 0.00 1.31 0.00 0.00 55.95 59.76 3g6e s SER 16 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3g6e s SER 16 CO 0.00 -0.63 0.38 -0.76 0.41 0.00 0.00 173.24 172.64 3g6e s LEU 17 N -0.85 4.20 0.35 2.44 1.43 -1.26 -1.26 118.68 123.73 3g6e s LEU 17 Ca 0.55 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 3g6e s LEU 17 Cb -0.41 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.34 3g6e s LEU 17 CO 0.46 -0.27 0.02 0.27 0.23 0.00 0.00 176.35 177.07 3g6e s ILE 18 N 2.08 1.56 0.25 -0.59 -4.36 0.14 -4.96 121.20 115.32 3g6e s ILE 18 Ca 0.14 -2.02 -0.20 0.00 -0.26 0.00 0.00 60.65 58.31 3g6e s ILE 18 Cb -0.16 -2.83 -0.09 0.00 1.25 0.00 0.00 42.46 40.64 3g6e s ILE 18 CO 0.11 -0.04 0.77 -0.89 0.24 0.00 0.00 174.94 175.13 3g6e s THR 19 N -3.04 4.52 -0.56 8.37 2.01 -0.51 -0.28 115.64 126.15 3g6e s THR 19 Ca 0.35 1.35 -0.15 0.00 0.31 0.00 0.00 61.69 63.55 3g6e s THR 19 Cb 0.08 -3.86 0.14 0.00 0.01 0.00 0.00 72.50 68.88 3g6e s THR 19 CO 0.16 0.15 0.51 0.00 -0.69 0.00 0.00 174.62 174.75 3g6e n ALA 21 N 5.09 6.24 -3.67 0.00 0.00 0.23 -4.82 120.51 123.58 3g6e n ALA 21 Ca -0.11 -2.70 0.01 0.00 0.00 0.00 0.00 53.44 50.64 3g6e n ALA 21 Cb 0.41 -3.10 0.02 0.00 0.00 0.00 0.00 19.45 16.78 3g6e n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3g6e n ASP 22 N 3.68 -1.80 -1.62 0.00 5.68 -1.26 -2.58 116.55 118.64 3g6e n ASP 22 Ca 0.61 -2.19 -0.13 0.00 -0.50 0.00 0.00 54.79 52.57 3g6e n ASP 22 Cb 0.26 2.99 0.18 0.00 -1.14 0.00 0.00 41.12 43.41 3g6e n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3g6e n ASN 23 N -1.38 3.24 0.26 -1.12 6.94 -1.07 -4.68 115.26 117.45 3g6e n ASN 23 Ca -0.06 -3.74 0.15 0.00 -0.02 0.00 0.00 54.58 50.91 3g6e n ASN 23 Cb 0.49 -0.71 0.63 0.00 -2.36 0.00 0.00 39.78 37.83 3g6e n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3g6e h THR 24 N 1.04 0.22 0.00 5.53 1.35 -1.94 -3.46 112.91 115.65 3g6e h THR 24 Ca 0.39 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3g6e h THR 24 Cb 2.03 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 3g6e h THR 24 CO 0.71 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 3g6e n GLY 25 N -0.02 0.83 3.69 5.82 0.00 -1.26 -4.96 105.19 109.29 3g6e n GLY 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3g6e n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 26 N -2.00 3.60 -0.28 4.61 0.00 -1.26 -1.48 121.76 124.94 3g6e s ALA 26 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 3g6e s ALA 26 Cb 0.00 -2.42 -0.12 0.00 0.00 0.00 0.00 23.12 20.57 3g6e s ALA 26 CO 0.00 -0.09 -0.34 0.54 0.00 0.00 0.00 175.76 175.87 3g6e n ARG 27 N 4.02 0.59 -5.24 0.00 1.74 -0.19 -4.63 116.66 112.95 3g6e n ARG 27 Ca -0.12 0.27 -0.32 0.00 -0.77 0.00 0.00 57.85 56.91 3g6e n ARG 27 Cb 0.52 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 3g6e n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3g6e s GLU 28 N -2.51 2.59 0.02 5.56 2.12 -0.90 -1.70 118.70 123.88 3g6e s GLU 28 Ca -0.39 -0.89 0.06 0.00 0.36 0.00 0.00 54.97 54.11 3g6e s GLU 28 Cb 0.15 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 3g6e s GLU 28 CO 0.49 0.38 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.93 3g6e s LEU 29 N -0.15 2.71 -0.18 2.70 1.43 0.62 -1.25 118.68 124.56 3g6e s LEU 29 Ca -0.04 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3g6e s LEU 29 Cb -0.14 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 3g6e s LEU 29 CO 0.04 0.28 -0.12 -0.75 0.23 0.00 0.00 176.35 176.03 3g6e s LYS 30 N -1.29 3.25 0.01 1.70 2.20 0.02 0.29 119.74 125.93 3g6e s LYS 30 Ca 0.14 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 3g6e s LYS 30 Cb -0.11 -2.75 -0.06 0.00 -1.51 0.00 0.00 37.83 33.41 3g6e s LYS 30 CO 0.05 -0.07 1.38 0.08 -0.36 0.00 0.00 175.35 176.42 3g6e s VAL 31 N 1.07 3.73 -0.18 4.02 1.01 -0.39 -1.32 120.40 128.34 3g6e s VAL 31 Ca -0.00 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 3g6e s VAL 31 Cb -0.15 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 3g6e s VAL 31 CO -0.03 0.01 -0.29 -0.38 0.00 0.00 0.00 175.10 174.41 3g6e n ILE 32 N 4.57 1.35 -4.07 2.22 5.41 -0.01 0.62 119.36 129.45 3g6e n ILE 32 Ca 0.13 -0.08 -0.10 0.00 1.00 0.00 0.00 62.75 63.70 3g6e n ILE 32 Cb 0.44 -2.01 -0.08 0.00 -0.71 0.00 0.00 39.64 37.28 3g6e n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3g6e s SER 33 N -6.52 0.10 -0.15 4.38 0.01 -1.14 -4.75 113.70 105.63 3g6e s SER 33 Ca -0.28 -1.09 0.01 0.00 1.31 0.00 0.00 55.95 55.90 3g6e s SER 33 Cb 0.08 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.75 3g6e s SER 33 CO 0.38 -0.89 -0.18 -0.69 0.41 0.00 0.00 173.24 172.27 3g6e s VAL 34 N -4.04 1.84 0.24 3.43 1.01 -1.26 -0.38 120.40 121.23 3g6e s VAL 34 Ca 0.25 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 3g6e s VAL 34 Cb 0.04 -1.67 -0.12 0.00 0.00 0.00 0.00 36.38 34.64 3g6e s VAL 34 CO 0.05 0.51 1.64 1.57 0.00 0.00 0.00 175.10 178.87 3g6e n HIS 35 N 4.42 2.70 -0.91 5.22 -0.00 -0.24 -2.51 115.22 123.90 3g6e n HIS 35 Ca -0.19 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.15 3g6e n HIS 35 Cb 0.51 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 3g6e n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3g6e n GLY 36 N 3.13 0.63 3.87 1.57 0.00 -1.26 -4.80 105.19 108.33 3g6e n GLY 36 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3g6e n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g6e s TYR 37 N -2.80 3.59 -0.13 1.61 5.04 -1.05 -5.08 117.35 118.54 3g6e s TYR 37 Ca 0.00 0.78 -0.05 0.00 -2.44 0.00 0.00 57.07 55.36 3g6e s TYR 37 Cb 0.00 -2.15 0.06 0.00 0.35 0.00 0.00 41.96 40.22 3g6e s TYR 37 CO 0.00 0.53 0.26 0.45 -1.34 0.00 0.00 175.55 175.45 3g6e s SER 38 N -1.73 0.32 0.00 4.32 0.15 -1.26 -4.95 113.70 110.55 3g6e s SER 38 Ca 0.32 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.57 3g6e s SER 38 Cb -0.14 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3g6e s SER 38 CO 0.18 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.99 3g6e n GLY 39 N 5.30 1.28 3.25 9.45 0.00 -1.26 -5.14 105.19 118.07 3g6e n GLY 39 Ca -0.07 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3g6e n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g6e s THR 40 N 1.78 0.10 0.12 2.61 -1.32 -1.26 -5.09 115.64 112.58 3g6e s THR 40 Ca 0.00 -1.51 -0.35 0.00 -1.21 0.00 0.00 61.69 58.62 3g6e s THR 40 Cb 0.00 -1.77 -0.15 0.00 -1.51 0.00 0.00 72.50 69.07 3g6e s THR 40 CO 0.00 -0.46 1.42 1.17 -2.21 0.00 0.00 174.62 174.54 3g6e n LYS 41 N -0.13 1.56 0.00 7.08 4.81 -1.26 -2.01 118.16 128.21 3g6e n LYS 41 Ca -0.09 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3g6e n LYS 41 Cb 0.63 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.43 3g6e n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3g6e n ASN 42 N 2.83 0.00 -4.71 3.14 3.02 -1.26 -4.99 115.26 113.29 3g6e n ASN 42 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 3g6e n ASN 42 Cb 0.23 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 3g6e n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3g6e s ARG 43 N 0.00 4.43 -0.08 3.52 3.52 -0.85 -5.00 118.95 124.49 3g6e s ARG 43 Ca 0.00 1.78 -0.30 0.00 -0.13 0.00 0.00 55.73 57.08 3g6e s ARG 43 Cb 0.00 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3g6e s ARG 43 CO 0.00 -0.26 1.11 -1.01 -0.81 0.00 0.00 175.30 174.33 3g6e s HIS 44 N 1.04 3.35 -0.03 5.12 3.76 -1.26 -4.71 115.29 122.55 3g6e s HIS 44 Ca 0.59 1.40 -0.31 0.00 -0.15 0.00 0.00 55.06 56.58 3g6e s HIS 44 Cb -0.30 -3.31 -0.10 0.00 1.11 0.00 0.00 32.58 29.99 3g6e s HIS 44 CO 0.29 -0.78 1.97 -0.35 -0.85 0.00 0.00 174.74 175.02 3g6e n PRO 45 N 5.10 2.54 -3.38 8.40 -0.04 -1.26 -4.84 135.00 141.52 3g6e n PRO 45 Ca 0.10 0.91 -0.38 0.00 -0.04 0.00 0.00 63.50 64.09 3g6e n PRO 45 Cb 0.47 -2.91 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 3g6e n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3g6e s LYS 46 N 4.56 4.15 0.01 0.54 -2.85 -1.26 -1.59 119.74 123.29 3g6e s LYS 46 Ca 0.92 0.49 0.07 0.00 -1.00 0.00 0.00 55.97 56.45 3g6e s LYS 46 Cb -0.52 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 31.92 3g6e s LYS 46 CO 0.45 0.46 -0.23 0.00 0.10 0.00 0.00 175.35 176.13 3g6e s ALA 47 N -0.39 1.90 0.22 0.59 0.00 0.85 -4.95 121.76 119.98 3g6e s ALA 47 Ca 0.26 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3g6e s ALA 47 Cb -0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3g6e s ALA 47 CO 0.13 0.45 0.23 0.41 0.00 0.00 0.00 175.76 176.98 3g6e n GLY 48 N 2.23 3.04 3.67 0.00 0.00 -1.26 -0.50 105.19 112.36 3g6e n GLY 48 Ca -0.16 -1.72 -0.45 0.00 0.00 0.00 0.00 46.02 43.69 3g6e n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g6e n LEU 49 N 0.00 3.83 0.00 0.99 0.00 -1.26 -1.90 117.00 118.65 3g6e n LEU 49 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 56.01 57.00 3g6e n LEU 49 Cb 0.38 -1.47 0.00 0.00 0.00 0.00 0.00 43.42 42.33 3g6e n LEU 49 CO 0.20 0.08 0.00 0.61 0.00 0.00 0.00 177.39 178.27 3g6e n GLY 50 N 4.36 0.32 3.84 -3.96 0.00 -0.52 -4.96 105.19 104.27 3g6e n GLY 50 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3g6e n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 51 N -2.55 6.89 -0.30 1.61 1.01 -0.80 -4.85 116.67 117.69 3g6e s ASP 51 Ca 0.00 1.24 -0.16 0.00 0.71 0.00 0.00 52.55 54.34 3g6e s ASP 51 Cb 0.00 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 3g6e s ASP 51 CO 0.00 0.00 0.40 -0.75 0.21 0.00 0.00 175.17 175.03 3g6e s LYS 52 N -2.22 3.84 0.28 8.23 2.20 -1.26 -1.40 119.74 129.40 3g6e s LYS 52 Ca 0.44 -0.10 0.12 0.00 -0.36 0.00 0.00 55.97 56.07 3g6e s LYS 52 Cb -0.14 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 3g6e s LYS 52 CO 0.20 -0.41 -0.18 0.96 -0.36 0.00 0.00 175.35 175.56 3g6e s ILE 53 N 2.13 2.54 -0.15 5.43 -4.36 0.04 -1.07 121.20 125.75 3g6e s ILE 53 Ca 0.15 -2.35 -0.08 0.00 -0.26 0.00 0.00 60.65 58.11 3g6e s ILE 53 Cb -0.16 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 3g6e s ILE 53 CO 0.11 -0.38 0.11 -0.89 0.24 0.00 0.00 174.94 174.13 3g6e s THR 54 N -2.50 5.24 0.13 8.37 2.01 0.49 0.02 115.64 129.40 3g6e s THR 54 Ca 0.30 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3g6e s THR 54 Cb -0.05 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3g6e s THR 54 CO 0.16 0.53 -0.03 0.68 -0.69 0.00 0.00 174.62 175.26 3g6e s VAL 55 N -0.31 0.63 0.03 3.82 -7.23 0.12 -0.83 120.40 116.63 3g6e s VAL 55 Ca 0.10 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.41 3g6e s VAL 55 Cb -0.12 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3g6e s VAL 55 CO 0.01 -0.70 -0.25 -0.94 -0.31 0.00 0.00 175.10 172.91 3g6e s SER 56 N -3.09 2.97 -0.39 4.85 1.04 -0.43 -0.84 113.70 117.81 3g6e s SER 56 Ca 0.17 -0.55 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 3g6e s SER 56 Cb 0.06 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.92 3g6e s SER 56 CO -0.01 0.25 0.83 -0.69 0.98 0.00 0.00 173.24 174.59 3g6e s VAL 57 N -0.76 4.66 -0.14 5.02 1.01 -1.01 -0.80 120.40 128.38 3g6e s VAL 57 Ca 0.10 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 3g6e s VAL 57 Cb -0.10 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 3g6e s VAL 57 CO 0.01 -0.54 0.36 0.74 0.00 0.00 0.00 175.10 175.67 3g6e h THR 58 N 5.84 0.95 -4.29 3.92 2.02 -1.52 -2.54 112.91 117.30 3g6e h THR 58 Ca -0.24 -1.79 -0.70 0.00 0.77 0.00 0.00 66.41 64.45 3g6e h THR 58 Cb 1.09 1.88 -0.26 0.00 -1.74 0.00 0.00 68.15 69.11 3g6e h THR 58 CO 0.95 0.32 -0.88 -0.54 0.37 0.00 0.00 175.52 175.74 3g6e s LYS 59 N -2.05 1.80 0.00 6.66 1.02 -1.16 -4.87 119.74 121.14 3g6e s LYS 59 Ca -0.15 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.73 3g6e s LYS 59 Cb -0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3g6e s LYS 59 CO 0.43 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.78 3g6e n GLY 60 N 1.75 0.10 3.77 -3.33 0.00 -1.26 -1.02 105.19 105.20 3g6e n GLY 60 Ca -0.17 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 3g6e n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6e s THR 61 N -3.01 3.37 0.43 2.61 -4.23 -0.55 -4.80 115.64 109.45 3g6e s THR 61 Ca 0.00 1.11 0.25 0.00 -1.18 0.00 0.00 61.69 61.87 3g6e s THR 61 Cb 0.00 -3.60 0.44 0.00 1.34 0.00 0.00 72.50 70.68 3g6e s THR 61 CO 0.00 0.07 1.72 -0.65 -0.54 0.00 0.00 174.62 175.22 3g6e h PRO 62 N 2.59 0.24 -0.05 3.99 0.11 -1.94 -0.39 132.00 136.56 3g6e h PRO 62 Ca -0.48 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 3g6e h PRO 62 Cb 1.23 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3g6e h PRO 62 CO 0.62 0.16 -0.88 0.93 -0.21 0.00 0.00 178.00 178.62 3g6e h GLU 63 N 0.24 0.53 0.08 1.05 4.39 -1.97 -3.29 114.58 115.61 3g6e h GLU 63 Ca 0.68 -0.51 -0.25 0.00 0.34 0.00 0.00 59.36 59.62 3g6e h GLU 63 Cb 1.98 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.75 3g6e h GLU 63 CO -0.31 1.14 -1.13 0.52 -1.16 0.00 0.00 179.01 178.07 3g6e h MET 64 N 0.33 0.20 -6.98 2.33 2.86 -1.56 -3.46 114.93 108.65 3g6e h MET 64 Ca -0.07 -0.33 -0.56 0.00 -2.06 0.00 0.00 59.70 56.68 3g6e h MET 64 Cb 1.50 0.12 0.14 0.00 0.06 0.00 0.00 31.60 33.42 3g6e h MET 64 CO 0.16 1.14 0.51 0.54 1.06 0.00 0.00 176.91 180.32 3g6e n ARG 65 N -3.51 1.59 -0.08 1.72 1.74 -0.28 -2.98 116.66 114.86 3g6e n ARG 65 Ca -0.06 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 3g6e n ARG 65 Cb 0.97 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3g6e n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g6e n ARG 66 N -0.90 0.00 -2.42 5.56 1.74 -0.96 -4.96 116.66 114.72 3g6e n ARG 66 Ca 0.11 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3g6e n ARG 66 Cb 0.44 -2.38 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 3g6e n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g6e s GLN 67 N -0.03 4.58 -0.53 5.56 -0.21 -1.16 -4.76 119.66 123.11 3g6e s GLN 67 Ca 0.00 1.85 -0.16 0.00 0.02 0.00 0.00 55.36 57.07 3g6e s GLN 67 Cb 0.00 -3.15 0.11 0.00 1.00 0.00 0.00 33.01 30.98 3g6e s GLN 67 CO 0.00 0.14 0.50 0.08 -2.12 0.00 0.00 175.29 173.89 3g6e s VAL 68 N -1.18 5.17 0.33 1.09 1.01 -1.26 -2.41 120.40 123.14 3g6e s VAL 68 Ca 0.46 -1.32 0.09 0.00 0.00 0.00 0.00 61.98 61.21 3g6e s VAL 68 Cb -0.33 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 3g6e s VAL 68 CO 0.42 -0.82 -0.10 -0.76 0.00 0.00 0.00 175.10 173.84 3g6e s LEU 69 N 1.74 2.68 0.08 3.92 1.43 -0.02 -4.96 118.68 123.55 3g6e s LEU 69 Ca 0.04 -1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 3g6e s LEU 69 Cb -0.28 -0.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.94 3g6e s LEU 69 CO 0.04 -0.21 0.37 -1.61 0.23 0.00 0.00 176.35 175.18 3g6e s GLU 70 N -3.62 3.70 0.25 1.70 2.02 -1.26 0.13 118.70 121.61 3g6e s GLU 70 Ca 0.32 0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.36 3g6e s GLU 70 Cb 0.02 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 3g6e s GLU 70 CO 0.16 0.55 0.27 0.00 0.02 0.00 0.00 175.26 176.25 3g6e s ALA 71 N -1.45 0.97 -0.07 5.21 0.00 0.10 -0.98 121.76 125.55 3g6e s ALA 71 Ca 0.34 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3g6e s ALA 71 Cb -0.13 1.31 0.02 0.00 0.00 0.00 0.00 23.12 24.32 3g6e s ALA 71 CO 0.19 -0.68 -0.11 0.08 0.00 0.00 0.00 175.76 175.24 3g6e s VAL 72 N -3.86 1.06 -0.27 0.00 1.01 -0.42 -0.78 120.40 117.15 3g6e s VAL 72 Ca 0.35 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3g6e s VAL 72 Cb 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3g6e s VAL 72 CO 0.15 0.34 1.19 -0.69 0.00 0.00 0.00 175.10 176.10 3g6e s VAL 73 N 0.78 4.35 -0.27 2.92 1.01 -0.50 -1.50 120.40 127.20 3g6e s VAL 73 Ca -0.12 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.33 3g6e s VAL 73 Cb -0.15 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 3g6e s VAL 73 CO 0.02 -0.36 -0.28 0.52 0.00 0.00 0.00 175.10 175.00 3g6e n VAL 74 N 5.80 1.53 -4.27 2.92 0.31 0.17 -1.44 118.33 123.34 3g6e n VAL 74 Ca 0.13 -0.42 -0.23 0.00 -0.01 0.00 0.00 64.34 63.82 3g6e n VAL 74 Cb 0.46 -1.78 -0.12 0.00 -0.91 0.00 0.00 33.84 31.49 3g6e n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3g6e s ARG 75 N -2.51 1.06 -0.05 5.55 0.52 -0.80 -3.80 118.95 118.92 3g6e s ARG 75 Ca -0.37 -1.10 -0.16 0.00 -0.52 0.00 0.00 55.73 53.58 3g6e s ARG 75 Cb 0.13 -1.25 0.03 0.00 0.52 0.00 0.00 34.95 34.38 3g6e s ARG 75 CO 0.53 0.29 0.36 1.14 0.02 0.00 0.00 175.30 177.64 3g6e s GLN 76 N -1.82 0.64 0.18 3.54 -2.07 -1.15 -0.61 119.66 118.37 3g6e s GLN 76 Ca 0.04 0.04 -0.04 0.00 -1.82 0.00 0.00 55.36 53.59 3g6e s GLN 76 Cb -0.10 0.29 0.06 0.00 -1.09 0.00 0.00 33.01 32.18 3g6e s GLN 76 CO 0.04 -0.16 1.46 0.00 -1.32 0.00 0.00 175.29 175.30 3g6e h ARG 77 N 4.24 0.53 -6.68 9.60 3.08 -1.74 -1.91 114.38 121.51 3g6e h ARG 77 Ca -0.29 -0.38 -0.52 0.00 0.07 0.00 0.00 59.98 58.87 3g6e h ARG 77 Cb 1.18 0.06 0.02 0.00 0.08 0.00 0.00 29.97 31.30 3g6e h ARG 77 CO 0.36 1.00 0.53 0.21 -1.07 0.00 0.00 179.97 181.00 3g6e s LYS 78 N -3.84 4.52 0.67 0.04 2.47 -1.26 -4.25 119.74 118.10 3g6e s LYS 78 Ca -0.07 1.84 -0.17 0.00 -1.56 0.00 0.00 55.97 56.00 3g6e s LYS 78 Cb 0.11 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 3g6e s LYS 78 CO 0.85 -0.03 1.26 -2.30 0.16 0.00 0.00 175.35 175.29 3g6e n PRO 79 N 2.35 0.96 -4.39 4.03 -0.02 -1.26 -4.78 135.00 131.88 3g6e n PRO 79 Ca 0.03 0.39 -0.25 0.00 -2.02 0.00 0.00 63.50 61.65 3g6e n PRO 79 Cb 0.45 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 3g6e n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3g6e s ILE 80 N -1.50 2.18 -0.22 4.25 -4.36 -0.85 -3.91 121.20 116.79 3g6e s ILE 80 Ca 0.81 -1.99 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 3g6e s ILE 80 Cb -0.37 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 3g6e s ILE 80 CO 0.42 -0.18 0.02 -0.60 0.24 0.00 0.00 174.94 174.84 3g6e s ARG 81 N -2.70 3.61 0.40 0.37 3.52 0.74 -1.60 118.95 123.29 3g6e s ARG 81 Ca 0.19 -0.51 -0.10 0.00 -0.13 0.00 0.00 55.73 55.17 3g6e s ARG 81 Cb -0.07 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.11 3g6e s ARG 81 CO 0.09 -0.06 0.76 1.03 -0.81 0.00 0.00 175.30 176.31 3g6e s ARG 82 N 1.21 3.78 0.64 5.12 0.52 -0.48 -1.13 118.95 128.61 3g6e s ARG 82 Ca 0.04 0.46 0.29 0.00 -0.52 0.00 0.00 55.73 55.99 3g6e s ARG 82 Cb -0.15 -2.40 1.57 0.00 0.52 0.00 0.00 34.95 34.50 3g6e s ARG 82 CO 0.02 -0.03 1.92 -1.35 0.02 0.00 0.00 175.30 175.88 3g6e h PRO 83 N 1.28 0.00 -0.66 3.54 0.11 -1.89 -0.18 132.00 134.20 3g6e h PRO 83 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g6e h PRO 83 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g6e h PRO 83 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3g6e n ASP 84 N -3.20 2.64 0.00 -2.05 5.75 -1.26 -4.90 116.55 113.53 3g6e n ASP 84 Ca 0.01 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 3g6e n ASP 84 Cb 0.47 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3g6e n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g6e n GLY 85 N 0.50 2.73 3.75 6.12 0.00 -0.08 -5.01 105.19 113.20 3g6e n GLY 85 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3g6e n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g6e n THR 86 N -0.57 2.15 -3.76 2.61 -1.04 -1.26 -4.65 114.28 107.77 3g6e n THR 86 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 3g6e n THR 86 Cb 0.00 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 66.62 3g6e n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3g6e s ARG 87 N -2.11 3.58 -0.10 -2.82 1.81 -1.26 -1.38 118.95 116.67 3g6e s ARG 87 Ca 0.55 -0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 3g6e s ARG 87 Cb -0.50 -3.08 0.02 0.00 -0.45 0.00 0.00 34.95 30.95 3g6e s ARG 87 CO 0.62 0.65 -0.09 0.08 -0.68 0.00 0.00 175.30 175.89 3g6e s VAL 88 N -1.30 1.04 0.12 3.52 1.01 -0.63 -4.94 120.40 119.23 3g6e s VAL 88 Ca 0.27 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.99 3g6e s VAL 88 Cb -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3g6e s VAL 88 CO 0.16 0.36 -0.15 -1.59 0.00 0.00 0.00 175.10 173.88 3g6e s LYS 89 N 1.48 1.03 0.41 2.72 -2.85 -1.26 -2.01 119.74 119.26 3g6e s LYS 89 Ca 0.01 -1.20 0.08 0.00 -1.00 0.00 0.00 55.97 53.85 3g6e s LYS 89 Cb -0.13 -0.99 -0.03 0.00 -2.06 0.00 0.00 37.83 34.61 3g6e s LYS 89 CO -0.06 0.20 0.29 -0.06 0.10 0.00 0.00 175.35 175.82 3g6e s PHE 90 N -1.88 2.68 0.16 1.78 0.40 -0.72 -5.03 117.98 115.37 3g6e s PHE 90 Ca 0.08 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3g6e s PHE 90 Cb -0.06 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.43 3g6e s PHE 90 CO 0.03 0.03 1.39 1.49 0.70 0.00 0.00 175.22 178.87 3g6e h GLU 91 N 1.21 0.32 -4.94 0.44 4.22 -1.93 -3.38 114.58 110.53 3g6e h GLU 91 Ca -0.42 -0.31 -0.50 0.00 0.08 0.00 0.00 59.36 58.21 3g6e h GLU 91 Cb 1.26 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.46 3g6e h GLU 91 CO 0.62 0.99 -0.48 0.16 -2.18 0.00 0.00 179.01 178.11 3g6e s ASP 92 N -6.98 1.94 -0.21 1.04 -4.77 -1.26 -4.91 116.67 101.51 3g6e s ASP 92 Ca -0.05 -1.78 -0.05 0.00 -3.30 0.00 0.00 52.55 47.37 3g6e s ASP 92 Cb 0.10 0.58 -0.02 0.00 -1.09 0.00 0.00 42.92 42.48 3g6e s ASP 92 CO 0.84 -1.07 -0.00 0.20 0.70 0.00 0.00 175.17 175.84 3g6e s ASN 93 N -3.42 4.72 0.02 2.11 0.01 -1.26 -2.92 114.94 114.20 3g6e s ASN 93 Ca 0.38 -0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.24 3g6e s ASN 93 Cb 0.02 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 39.85 3g6e s ASN 93 CO 0.27 0.02 0.03 0.00 -1.51 0.00 0.00 177.10 175.91 3g6e s ALA 94 N 1.25 0.04 0.04 0.60 0.00 0.22 -1.43 121.76 122.49 3g6e s ALA 94 Ca 0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 3g6e s ALA 94 Cb -0.15 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3g6e s ALA 94 CO 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 175.76 175.50 3g6e s ALA 95 N -2.03 0.39 -0.13 0.00 0.00 -0.05 -0.66 121.76 119.29 3g6e s ALA 95 Ca -0.10 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3g6e s ALA 95 Cb -0.05 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 3g6e s ALA 95 CO -0.03 -0.24 -0.19 0.08 0.00 0.00 0.00 175.76 175.38 3g6e s VAL 96 N -2.64 2.42 0.22 0.00 1.01 -0.56 -0.60 120.40 120.25 3g6e s VAL 96 Ca -0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3g6e s VAL 96 Cb -0.01 -1.98 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 3g6e s VAL 96 CO -0.05 0.54 1.35 -0.63 0.00 0.00 0.00 175.10 176.31 3g6e s ILE 97 N 0.54 2.99 0.15 2.22 1.01 -1.26 -1.30 121.20 125.55 3g6e s ILE 97 Ca -0.12 0.83 0.06 0.00 0.00 0.00 0.00 60.65 61.42 3g6e s ILE 97 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3g6e s ILE 97 CO 0.04 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.30 3g6e s VAL 98 N -0.01 1.37 0.00 2.92 1.01 -0.16 -1.70 120.40 123.84 3g6e s VAL 98 Ca 0.57 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.59 3g6e s VAL 98 Cb -0.38 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3g6e s VAL 98 CO 0.41 -0.58 0.00 -0.90 0.00 0.00 0.00 175.10 174.03 3g6e n ASP 99 N 0.04 0.00 -0.06 3.32 5.68 -0.73 -4.11 116.55 120.70 3g6e n ASP 99 Ca -0.12 -0.67 0.02 0.00 -0.50 0.00 0.00 54.79 53.53 3g6e n ASP 99 Cb 0.59 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.92 3g6e n ASP 99 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3g6e h GLU 100 N 0.00 0.65 -0.63 0.11 4.81 -1.98 -2.45 114.58 115.08 3g6e h GLU 100 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g6e h GLU 100 Cb 0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3g6e h GLU 100 CO 0.00 0.48 0.00 0.09 -0.73 0.00 0.00 179.01 178.85 3g6e n ASN 101 N -4.42 3.89 -1.21 1.04 3.02 -1.26 -4.94 115.26 111.37 3g6e n ASN 101 Ca 0.04 -2.27 -0.13 0.00 -0.03 0.00 0.00 54.58 52.19 3g6e n ASN 101 Cb 0.09 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 3g6e n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g6e n GLU 102 N 1.05 -0.98 -3.58 3.52 1.02 -0.92 -5.03 120.64 115.71 3g6e n GLU 102 Ca 0.22 0.85 -0.37 0.00 -0.02 0.00 0.00 57.16 57.83 3g6e n GLU 102 Cb 0.70 -4.99 -0.06 0.00 -0.02 0.00 0.00 31.44 27.07 3g6e n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3g6e s ASP 103 N -2.69 6.62 0.31 1.62 1.01 -1.26 -4.67 116.67 117.61 3g6e s ASP 103 Ca 0.00 0.73 -0.29 0.00 0.71 0.00 0.00 52.55 53.70 3g6e s ASP 103 Cb 0.00 -2.20 -0.12 0.00 1.01 0.00 0.00 42.92 41.62 3g6e s ASP 103 CO 0.00 0.26 1.53 -0.81 0.21 0.00 0.00 175.17 176.37 3g6e n PRO 104 N 2.43 2.60 -0.01 8.23 -0.04 -1.26 -1.77 135.00 145.18 3g6e n PRO 104 Ca -0.14 0.92 -0.04 0.00 -0.04 0.00 0.00 63.50 64.20 3g6e n PRO 104 Cb 0.53 -2.67 0.19 0.00 -0.04 0.00 0.00 33.50 31.50 3g6e n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3g6e h ARG 105 N 4.14 0.54 0.00 0.54 2.43 -1.65 -3.45 114.38 116.93 3g6e h ARG 105 Ca -0.48 -0.20 -0.14 0.00 -0.81 0.00 0.00 59.98 58.36 3g6e h ARG 105 Cb 1.24 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3g6e h ARG 105 CO 0.74 0.73 0.03 0.41 -1.51 0.00 0.00 179.97 180.37 3g6e n GLY 106 N -0.40 0.82 0.15 2.80 0.00 -1.26 -4.98 105.19 102.33 3g6e n GLY 106 Ca -0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 3g6e n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g6e n THR 107 N -1.78 1.05 -4.75 2.61 -1.04 -1.26 -5.01 114.28 104.11 3g6e n THR 107 Ca 0.05 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 3g6e n THR 107 Cb 0.17 -1.27 -0.12 0.00 -1.82 0.00 0.00 70.33 67.29 3g6e n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3g6e s GLU 108 N -2.36 2.64 -0.15 -2.82 2.02 -1.26 -4.96 118.70 111.81 3g6e s GLU 108 Ca -0.25 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 3g6e s GLU 108 Cb 0.07 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 3g6e s GLU 108 CO 0.41 0.64 0.01 -0.51 0.02 0.00 0.00 175.26 175.83 3g6e s LEU 109 N -0.77 3.56 -0.04 1.80 1.43 -1.26 -2.59 118.68 120.82 3g6e s LEU 109 Ca 0.12 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 3g6e s LEU 109 Cb -0.11 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3g6e s LEU 109 CO 0.01 0.23 0.38 -0.54 0.23 0.00 0.00 176.35 176.67 3g6e s LYS 110 N 0.00 3.97 0.17 1.70 1.02 -1.07 -4.60 119.74 120.93 3g6e s LYS 110 Ca 0.03 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.36 3g6e s LYS 110 Cb -0.13 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3g6e s LYS 110 CO 0.02 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 3g6e n GLY 111 N 2.17 -1.88 3.73 -3.33 0.00 -1.26 -4.71 105.19 99.91 3g6e n GLY 111 Ca -0.13 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 3g6e n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g6e s PRO 112 N -2.01 0.89 0.08 1.61 0.04 -1.26 -4.54 135.00 129.81 3g6e s PRO 112 Ca 0.00 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.52 3g6e s PRO 112 Cb 0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 3g6e s PRO 112 CO 0.00 -2.40 -0.07 0.42 0.04 0.00 0.00 177.00 174.98 3g6e s ILE 113 N -3.10 0.70 0.05 0.56 1.01 -0.77 -4.79 121.20 114.86 3g6e s ILE 113 Ca 0.64 -1.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 3g6e s ILE 113 Cb -0.17 -1.36 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 3g6e s ILE 113 CO 0.56 -0.70 0.55 0.00 0.00 0.00 0.00 174.94 175.34 3g6e s ALA 114 N -2.87 3.59 0.60 9.38 0.00 -1.25 -0.89 121.76 130.33 3g6e s ALA 114 Ca 0.05 -0.00 0.31 0.00 0.00 0.00 0.00 51.96 52.32 3g6e s ALA 114 Cb 0.00 -2.61 1.78 0.00 0.00 0.00 0.00 23.12 22.29 3g6e s ALA 114 CO -0.03 0.38 2.16 0.07 0.00 0.00 0.00 175.76 178.34 3g6e h ARG 115 N 4.70 0.00 0.00 0.00 0.11 -1.63 -1.98 114.38 115.57 3g6e h ARG 115 Ca -0.49 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.44 3g6e h ARG 115 Cb 1.21 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 3g6e h ARG 115 CO 0.64 0.00 -0.70 0.93 0.10 0.00 0.00 179.97 180.94 3g6e h GLU 116 N 0.00 0.00 -0.02 0.08 3.07 -1.87 -2.64 114.58 113.20 3g6e h GLU 116 Ca 0.05 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.66 3g6e h GLU 116 Cb 0.33 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3g6e h GLU 116 CO -0.00 0.70 -0.96 0.28 -1.40 0.00 0.00 179.01 177.63 3g6e h VAL 117 N 0.00 1.29 -0.82 3.13 2.07 -1.70 -3.03 116.25 117.19 3g6e h VAL 117 Ca -0.01 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.33 3g6e h VAL 117 Cb 1.27 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 33.36 3g6e h VAL 117 CO 0.09 0.68 0.53 0.00 0.02 0.00 0.00 177.57 178.88 3g6e h ALA 118 N 0.41 1.38 -0.10 1.67 0.00 -1.47 0.41 119.26 121.56 3g6e h ALA 118 Ca -0.12 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3g6e h ALA 118 Cb 1.62 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3g6e h ALA 118 CO 0.19 0.56 -0.74 0.37 0.00 0.00 0.00 179.25 179.63 3g6e h GLN 119 N 1.12 0.50 -0.00 0.00 4.15 -1.51 -3.26 115.11 116.11 3g6e h GLN 119 Ca 0.30 -0.41 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 3g6e h GLN 119 Cb -0.10 0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.68 3g6e h GLN 119 CO -0.06 1.04 -0.33 -0.09 -1.93 0.00 0.00 178.83 177.46 3g6e h ARG 120 N 0.34 0.23 -3.70 1.69 2.43 -1.33 -3.39 114.38 110.64 3g6e h ARG 120 Ca -0.04 -0.24 -0.69 0.00 -0.81 0.00 0.00 59.98 58.21 3g6e h ARG 120 Cb 1.33 0.07 -0.36 0.00 -0.42 0.00 0.00 29.97 30.59 3g6e h ARG 120 CO 0.13 0.96 -0.44 -0.06 -1.51 0.00 0.00 179.97 179.06 3g6e s PHE 121 N -3.14 3.41 0.24 2.20 0.40 0.10 -4.99 117.98 116.19 3g6e s PHE 121 Ca -0.15 -2.76 -0.07 0.00 -0.60 0.00 0.00 56.93 53.35 3g6e s PHE 121 Cb 0.01 -3.14 0.24 0.00 0.51 0.00 0.00 43.02 40.64 3g6e s PHE 121 CO 0.76 -0.85 1.92 0.78 0.70 0.00 0.00 175.22 178.53 3g6e h GLY 122 N 7.09 1.33 2.00 4.36 0.00 -1.77 -2.85 103.07 113.23 3g6e h GLY 122 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3g6e h GLY 122 CO 0.70 0.48 0.00 -1.14 0.00 0.00 0.00 176.54 176.59 3g6e n SER 123 N -4.43 0.40 0.03 0.19 3.41 -1.26 -1.90 113.62 110.06 3g6e n SER 123 Ca 0.11 0.57 -0.04 0.00 -0.26 0.00 0.00 58.87 59.24 3g6e n SER 123 Cb 0.01 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.20 3g6e n SER 123 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3g6e h VAL 124 N 0.00 0.94 -0.07 -3.33 2.07 -1.78 -3.34 116.25 110.74 3g6e h VAL 124 Ca 0.00 -2.60 -0.07 0.00 0.82 0.00 0.00 66.70 64.86 3g6e h VAL 124 Cb 0.45 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3g6e h VAL 124 CO 0.00 0.53 -0.21 0.00 0.02 0.00 0.00 177.57 177.91 3g6e h ALA 125 N 1.18 0.12 -0.04 1.67 0.00 -1.23 -2.91 119.26 118.05 3g6e h ALA 125 Ca -0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 3g6e h ALA 125 Cb 1.76 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 3g6e h ALA 125 CO 0.08 0.08 -0.24 -1.13 0.00 0.00 0.00 179.25 178.05 3g6e n SER 126 N -4.53 5.37 0.00 0.00 3.41 -0.80 -1.13 113.62 115.94 3g6e n SER 126 Ca -0.08 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 3g6e n SER 126 Cb 0.43 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 3g6e n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6e n ALA 127 N 2.13 0.00 -2.59 7.33 0.00 -1.22 -4.97 120.51 121.19 3g6e n ALA 127 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3g6e n ALA 127 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 3g6e n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g6e s ALA 128 N 0.00 3.33 -0.07 0.00 0.00 -0.28 -3.98 121.76 120.76 3g6e s ALA 128 Ca 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 3g6e s ALA 128 Cb 0.00 -3.42 -0.25 0.00 0.00 0.00 0.00 23.12 19.45 3g6e s ALA 128 CO 0.00 -0.46 0.97 1.15 0.00 0.00 0.00 175.76 177.41 3g6e h THR 129 N 4.84 1.59 -3.89 0.00 2.02 -1.84 -3.45 112.91 112.18 3g6e h THR 129 Ca -0.38 -2.05 -0.61 0.00 0.77 0.00 0.00 66.41 64.14 3g6e h THR 129 Cb 1.19 2.92 -0.31 0.00 -1.74 0.00 0.00 68.15 70.21 3g6e h THR 129 CO 0.81 0.55 -0.86 -0.04 0.37 0.00 0.00 175.52 176.36 3g6e s MET 130 N -2.91 2.12 -0.21 6.66 -1.94 -1.26 -5.11 119.30 116.65 3g6e s MET 130 Ca -0.16 -0.72 -0.01 0.00 -1.71 0.00 0.00 55.69 53.09 3g6e s MET 130 Cb -0.00 -1.80 0.06 0.00 2.01 0.00 0.00 34.83 35.09 3g6e s MET 130 CO 0.73 0.28 -0.03 0.42 -0.01 0.00 0.00 175.02 176.42 3g6e s ILE 131 N 0.01 1.12 -1.94 2.53 1.01 -1.26 -1.84 121.20 120.83 3g6e s ILE 131 Ca -0.05 -0.87 0.15 0.00 0.00 0.00 0.00 60.65 59.88 3g6e s ILE 131 Cb -0.13 -1.44 0.12 0.00 0.01 0.00 0.00 42.46 41.03 3g6e s ILE 131 CO 0.03 -0.08 0.99 0.52 0.00 0.00 0.00 174.94 176.41