#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s GLY 8 N 0.00 2.72 0.24 1.69 0.00 -1.26 -4.86 107.32 105.85 1s1i s GLY 8 Ca 0.00 1.18 -0.04 0.00 0.00 0.00 0.00 44.72 45.86 1s1i s GLY 8 CO 0.00 1.98 1.75 0.00 0.00 0.00 0.00 173.10 176.83 1s1i h THR 9 N 3.36 1.25 -0.23 0.90 1.03 -2.00 -3.46 112.91 113.75 1s1i h THR 9 Ca -0.47 -0.96 -0.10 0.00 -0.01 0.00 0.00 66.41 64.87 1s1i h THR 9 Cb 1.22 0.72 -0.04 0.00 -1.07 0.00 0.00 68.15 68.98 1s1i h THR 9 CO 0.71 0.35 -0.09 1.17 -0.01 0.00 0.00 175.52 177.66 1s1i n LYS 10 N -4.23 -0.89 -3.72 0.00 4.81 -1.26 -4.88 118.16 107.99 1s1i n LYS 10 Ca 0.04 0.53 -0.13 0.00 -0.87 0.00 0.00 58.31 57.88 1s1i n LYS 10 Cb 0.28 -4.38 -0.13 0.00 0.02 0.00 0.00 35.03 30.81 1s1i n LYS 10 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s1i s PHE 11 N -1.90 -0.32 0.36 5.64 0.08 -1.26 -4.77 117.98 115.81 1s1i s PHE 11 Ca 0.00 0.78 -0.26 0.00 0.12 0.00 0.00 56.93 57.57 1s1i s PHE 11 Cb 0.00 0.01 -0.09 0.00 -0.57 0.00 0.00 43.02 42.37 1s1i s PHE 11 CO 0.00 -0.25 1.12 1.03 -0.10 0.00 0.00 175.22 177.02 1s1i s ARG 12 N 1.48 4.28 -0.00 0.44 1.81 -1.26 -4.97 118.95 120.72 1s1i s ARG 12 Ca -0.07 1.75 0.01 0.00 -1.72 0.00 0.00 55.73 55.70 1s1i s ARG 12 Cb -0.11 -2.81 -0.00 0.00 -0.45 0.00 0.00 34.95 31.58 1s1i s ARG 12 CO -0.08 -0.10 -0.04 -1.50 -0.68 0.00 0.00 175.30 172.90 1s1i s ILE 13 N -1.40 0.28 0.15 1.52 -1.16 -1.26 -3.34 121.20 116.00 1s1i s ILE 13 Ca 0.53 -0.15 -0.04 0.00 -0.51 0.00 0.00 60.65 60.48 1s1i s ILE 13 Cb -0.29 -0.24 -0.05 0.00 0.61 0.00 0.00 42.46 42.49 1s1i s ILE 13 CO 0.37 0.08 0.38 -0.44 -2.81 0.00 0.00 174.94 172.52 1s1i s SER 14 N -0.06 6.47 -0.48 4.50 0.01 -1.26 -5.03 113.70 117.86 1s1i s SER 14 Ca 0.01 0.57 -0.24 0.00 1.31 0.00 0.00 55.95 57.60 1s1i s SER 14 Cb -0.02 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.16 1s1i s SER 14 CO -0.00 0.03 0.88 -0.76 0.41 0.00 0.00 173.24 173.80 1s1i s LEU 15 N -2.77 4.11 0.09 2.44 2.01 -1.26 -4.74 118.68 118.56 1s1i s LEU 15 Ca 0.41 -0.06 -0.14 0.00 0.01 0.00 0.00 54.13 54.35 1s1i s LEU 15 Cb -0.12 -3.04 -0.13 0.00 0.01 0.00 0.00 46.19 42.91 1s1i s LEU 15 CO 0.25 -1.04 1.34 1.23 1.01 0.00 0.00 176.35 179.14 1s1i h GLY 16 N 10.51 0.81 -5.71 -3.19 0.00 -1.84 -3.45 103.07 100.20 1s1i h GLY 16 Ca -0.25 -1.00 -0.45 0.00 0.00 0.00 0.00 47.33 45.63 1s1i h GLY 16 CO 1.02 0.90 -0.79 1.08 0.00 0.00 0.00 176.54 178.74 1s1i s LEU 17 N -8.67 1.69 0.00 3.11 2.01 -1.25 -5.02 118.68 110.55 1s1i s LEU 17 Ca -0.11 -0.21 -0.02 0.00 0.01 0.00 0.00 54.13 53.79 1s1i s LEU 17 Cb 0.08 -0.62 0.11 0.00 0.01 0.00 0.00 46.19 45.78 1s1i s LEU 17 CO 0.87 0.04 0.75 -0.81 1.01 0.00 0.00 176.35 178.21 1s1i n PRO 18 N 3.51 -0.07 -2.18 1.29 -0.04 -1.26 -2.23 135.00 134.03 1s1i n PRO 18 Ca -0.20 -1.85 -0.35 0.00 -0.04 0.00 0.00 63.50 61.05 1s1i n PRO 18 Cb 0.53 -0.55 0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1s1i n PRO 18 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1s1i s VAL 19 N -2.28 3.06 0.00 0.52 0.11 -1.26 -2.57 120.40 117.98 1s1i s VAL 19 Ca 0.48 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 1s1i s VAL 19 Cb -0.02 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 1s1i s VAL 19 CO 0.32 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1s1i n GLY 20 N 0.18 1.03 3.80 6.54 0.00 0.27 -4.94 105.19 112.07 1s1i n GLY 20 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1s1i n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 21 N -3.84 2.80 -0.13 4.61 0.00 -1.06 -4.70 121.76 119.43 1s1i s ALA 21 Ca 0.00 0.52 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 1s1i s ALA 21 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1s1i s ALA 21 CO 0.00 -0.58 -0.13 0.42 0.00 0.00 0.00 175.76 175.47 1s1i s ILE 22 N -2.19 3.08 0.38 0.00 1.09 -1.26 -0.70 121.20 121.60 1s1i s ILE 22 Ca 0.66 -0.65 0.05 0.00 -1.10 0.00 0.00 60.65 59.61 1s1i s ILE 22 Cb -0.17 -2.29 -0.02 0.00 -1.06 0.00 0.00 42.46 38.92 1s1i s ILE 22 CO 0.28 0.52 0.20 0.00 -0.10 0.00 0.00 174.94 175.85 1s1i s MET 23 N 0.36 1.89 -0.15 2.79 0.23 -0.83 -5.03 119.30 118.56 1s1i s MET 23 Ca -0.11 -2.14 -0.03 0.00 -1.03 0.00 0.00 55.69 52.39 1s1i s MET 23 Cb -0.16 -0.20 -0.02 0.00 -1.53 0.00 0.00 34.83 32.92 1s1i s MET 23 CO 0.05 -0.58 -0.06 0.54 -2.03 0.00 0.00 175.02 172.94 1s1i s ASN 24 N -3.52 4.54 0.25 -1.18 4.22 -1.26 -2.79 114.94 115.20 1s1i s ASN 24 Ca 0.30 -0.20 -0.30 0.00 -2.14 0.00 0.00 52.86 50.52 1s1i s ASN 24 Cb 0.02 -1.73 -0.09 0.00 1.28 0.00 0.00 41.25 40.72 1s1i s ASN 24 CO 0.20 0.16 1.30 0.00 -2.04 0.00 0.00 177.10 176.72 1s1i n ALA 26 N 1.86 6.44 0.00 0.00 0.00 0.27 -4.75 120.51 124.34 1s1i n ALA 26 Ca 0.03 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.27 1s1i n ALA 26 Cb 0.42 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1s1i n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s1i n ASP 27 N -0.41 -1.30 0.00 0.00 8.00 -1.26 -1.86 116.55 119.71 1s1i n ASP 27 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1s1i n ASP 27 Cb 0.24 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1s1i n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s1i n ASN 28 N -0.56 0.18 -4.11 -2.24 2.85 -1.26 -4.31 115.26 105.81 1s1i n ASN 28 Ca 0.00 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.14 1s1i n ASN 28 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 1s1i n ASN 28 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1s1i s SER 29 N 1.32 3.49 -0.05 1.20 0.01 -1.23 -4.57 113.70 113.87 1s1i s SER 29 Ca 0.00 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1s1i s SER 29 Cb 0.00 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1s1i s SER 29 CO 0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1s1i n GLY 30 N 4.57 0.47 1.30 3.44 0.00 -1.26 -4.83 105.19 108.88 1s1i n GLY 30 Ca -0.19 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1s1i n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i n ALA 31 N 1.01 -1.55 -1.00 4.61 0.00 -1.26 -3.90 120.51 118.41 1s1i n ALA 31 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1s1i n ALA 31 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1s1i n ALA 31 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1s1i n ARG 32 N -3.02 0.00 -3.48 0.00 0.00 -1.26 -4.36 116.66 104.53 1s1i n ARG 32 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.75 1s1i n ARG 32 Cb 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 32.46 32.57 1s1i n ARG 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1s1i s ASN 33 N 2.00 0.99 0.49 2.89 4.22 -1.26 -4.07 114.94 120.20 1s1i s ASN 33 Ca 0.00 -0.01 -0.08 0.00 -2.14 0.00 0.00 52.86 50.63 1s1i s ASN 33 Cb 0.00 0.59 -0.04 0.00 1.28 0.00 0.00 41.25 43.07 1s1i s ASN 33 CO 0.00 -0.31 0.84 -1.48 -2.04 0.00 0.00 177.10 174.11 1s1i s LEU 34 N 2.39 3.59 0.03 3.54 -0.00 -1.12 0.11 118.68 127.22 1s1i s LEU 34 Ca 0.07 1.08 0.07 0.00 -0.00 0.00 0.00 54.13 55.36 1s1i s LEU 34 Cb -0.15 -4.04 -0.03 0.00 -0.00 0.00 0.00 46.19 41.97 1s1i s LEU 34 CO -0.12 -0.60 -0.21 -0.72 -0.00 0.00 0.00 176.35 174.70 1s1i s TYR 35 N -2.75 2.49 0.22 3.48 -0.85 0.25 -1.96 117.35 118.22 1s1i s TYR 35 Ca 0.50 -0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 56.45 1s1i s TYR 35 Cb -0.10 -1.47 -0.08 0.00 0.38 0.00 0.00 41.96 40.69 1s1i s TYR 35 CO 0.44 0.18 0.98 0.42 -1.52 0.00 0.00 175.55 176.05 1s1i s ILE 36 N -0.84 4.05 0.23 -3.49 1.01 0.12 -1.72 121.20 120.57 1s1i s ILE 36 Ca 0.13 1.96 0.06 0.00 0.00 0.00 0.00 60.65 62.80 1s1i s ILE 36 Cb -0.10 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1s1i s ILE 36 CO 0.03 0.42 -0.08 -0.51 0.00 0.00 0.00 174.94 174.81 1s1i s ILE 37 N -0.86 1.50 0.29 2.92 -1.16 -0.72 -0.57 121.20 122.60 1s1i s ILE 37 Ca 0.43 -2.13 -0.16 0.00 -0.51 0.00 0.00 60.65 58.29 1s1i s ILE 37 Cb -0.27 -2.24 -0.12 0.00 0.61 0.00 0.00 42.46 40.45 1s1i s ILE 37 CO 0.33 -0.44 0.09 0.00 -2.81 0.00 0.00 174.94 172.10 1s1i n ALA 38 N -0.45 -2.55 -3.51 1.50 0.00 -1.26 -3.62 120.51 110.62 1s1i n ALA 38 Ca -0.07 0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1s1i n ALA 38 Cb 0.62 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1s1i n ALA 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s1i s VAL 39 N -1.20 3.34 0.00 0.00 -7.23 -1.26 -2.42 120.40 111.63 1s1i s VAL 39 Ca 0.44 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1s1i s VAL 39 Cb -0.49 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1s1i s VAL 39 CO 0.46 0.31 0.00 0.29 -0.31 0.00 0.00 175.10 175.85 1s1i n LYS 40 N 4.78 0.00 -2.06 4.82 4.76 -1.01 -3.96 118.16 125.48 1s1i n LYS 40 Ca -0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 1s1i n LYS 40 Cb 0.49 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.66 1s1i n LYS 40 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1s1i s GLY 41 N 0.00 1.62 0.10 0.72 0.00 -1.26 -4.95 107.32 103.54 1s1i s GLY 41 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 1s1i s GLY 41 CO 0.00 2.85 0.15 -0.56 0.00 0.00 0.00 173.10 175.54 1s1i s SER 42 N 2.71 0.20 0.11 1.64 0.01 -1.25 -5.15 113.70 111.97 1s1i s SER 42 Ca 0.70 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1s1i s SER 42 Cb -0.34 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1s1i s SER 42 CO 0.29 -0.73 0.04 0.61 0.41 0.00 0.00 173.24 173.85 1s1i n GLY 43 N -0.06 1.65 3.52 3.44 0.00 -1.26 -5.08 105.19 107.40 1s1i n GLY 43 Ca -0.13 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 1s1i n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s1i s SER 44 N -1.16 -0.15 0.37 1.61 0.15 -1.26 -4.92 113.70 108.34 1s1i s SER 44 Ca 0.03 -0.68 -0.10 0.00 0.70 0.00 0.00 55.95 55.89 1s1i s SER 44 Cb -0.00 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1s1i s SER 44 CO 0.02 -1.05 0.66 -0.60 1.20 0.00 0.00 173.24 173.46 1s1i s ARG 45 N -3.93 2.11 0.34 5.44 3.52 -1.26 -5.02 118.95 120.15 1s1i s ARG 45 Ca 0.14 -1.58 -0.29 0.00 -0.13 0.00 0.00 55.73 53.88 1s1i s ARG 45 Cb -0.00 0.55 -0.10 0.00 -1.56 0.00 0.00 34.95 33.83 1s1i s ARG 45 CO 0.01 -0.94 1.36 -0.48 -0.81 0.00 0.00 175.30 174.44 1s1i s LEU 46 N -3.14 4.40 -1.24 -0.88 -0.00 -1.26 -0.99 118.68 115.56 1s1i s LEU 46 Ca 0.22 2.79 -0.08 0.00 -0.00 0.00 0.00 54.13 57.06 1s1i s LEU 46 Cb -0.03 -3.65 -0.01 0.00 -0.00 0.00 0.00 46.19 42.49 1s1i s LEU 46 CO 0.15 -0.63 0.70 -3.20 -0.00 0.00 0.00 176.35 173.37 1s1i n ASN 47 N 0.72 -2.93 0.22 1.48 2.85 -1.26 -4.90 115.26 111.45 1s1i n ASN 47 Ca 0.00 -0.92 -0.14 0.00 -0.11 0.00 0.00 54.58 53.41 1s1i n ASN 47 Cb 0.41 -3.73 -0.08 0.00 1.24 0.00 0.00 39.78 37.62 1s1i n ASN 47 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 1s1i h ARG 48 N -1.80 -0.53 -5.57 1.20 -0.00 -1.46 -3.48 114.38 102.73 1s1i h ARG 48 Ca -0.63 0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.38 1s1i h ARG 48 Cb 1.36 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 31.44 1s1i h ARG 48 CO 0.54 -0.25 -1.00 -0.11 -0.00 0.00 0.00 179.97 179.14 1s1i n LEU 49 N -5.24 -6.39 -0.21 0.08 -0.00 -1.26 -4.81 117.00 99.17 1s1i n LEU 49 Ca -0.11 1.14 -0.06 0.00 -0.00 0.00 0.00 56.01 56.99 1s1i n LEU 49 Cb 0.28 -2.72 -0.05 0.00 -0.00 0.00 0.00 43.42 40.93 1s1i n LEU 49 CO 0.33 -2.68 0.49 1.55 -0.00 0.00 0.00 177.39 177.08 1s1i h PRO 50 N 3.35 -0.01 0.00 1.96 0.13 -1.94 -3.48 132.00 132.02 1s1i h PRO 50 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1s1i h PRO 50 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1s1i h PRO 50 CO 0.06 -0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.83 1s1i n ALA 51 N -3.12 0.00 -3.60 -0.56 0.00 -1.26 -4.91 120.51 107.06 1s1i n ALA 51 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1s1i n ALA 51 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 1s1i n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i s ALA 52 N -2.28 -2.33 -0.11 0.00 0.00 -0.95 -4.55 121.76 111.54 1s1i s ALA 52 Ca 0.00 1.40 -0.33 0.00 0.00 0.00 0.00 51.96 53.03 1s1i s ALA 52 Cb 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.21 1s1i s ALA 52 CO 0.00 -0.81 1.42 0.45 0.00 0.00 0.00 175.76 176.82 1s1i s SER 53 N -2.52 -0.01 0.25 0.00 0.15 -1.26 -3.25 113.70 107.06 1s1i s SER 53 Ca 0.13 -0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.45 1s1i s SER 53 Cb 0.03 0.03 -0.12 0.00 -1.71 0.00 0.00 66.02 64.25 1s1i s SER 53 CO -0.04 -0.05 1.65 -0.76 1.20 0.00 0.00 173.24 175.24 1s1i s LEU 54 N -2.87 4.36 0.00 3.45 2.01 -1.26 -1.07 118.68 123.29 1s1i s LEU 54 Ca 0.14 2.89 0.00 0.00 0.01 0.00 0.00 54.13 57.18 1s1i s LEU 54 Cb 0.06 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.65 1s1i s LEU 54 CO -0.06 -0.93 0.00 0.61 1.01 0.00 0.00 176.35 176.98 1s1i n GLY 55 N 3.05 1.84 3.67 -3.19 0.00 -1.17 -4.96 105.19 104.43 1s1i n GLY 55 Ca 0.12 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1s1i n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s1i s ASP 56 N -0.00 6.71 0.46 1.61 1.01 -0.23 -4.89 116.67 121.34 1s1i s ASP 56 Ca 0.00 0.86 -0.25 0.00 0.71 0.00 0.00 52.55 53.87 1s1i s ASP 56 Cb 0.00 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.50 1s1i s ASP 56 CO 0.00 -0.22 1.44 -0.32 0.21 0.00 0.00 175.17 176.28 1s1i s MET 57 N 1.64 3.62 0.13 8.23 -2.45 -1.26 -4.07 119.30 125.13 1s1i s MET 57 Ca 0.29 2.44 0.04 0.00 -1.25 0.00 0.00 55.69 57.21 1s1i s MET 57 Cb -0.16 -2.62 -0.04 0.00 1.25 0.00 0.00 34.83 33.26 1s1i s MET 57 CO 0.11 -0.87 -0.11 0.14 1.05 0.00 0.00 175.02 175.34 1s1i s VAL 58 N -1.20 1.13 -0.03 10.11 -7.23 -0.50 -2.41 120.40 120.27 1s1i s VAL 58 Ca 0.62 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1s1i s VAL 58 Cb -0.44 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1s1i s VAL 58 CO 0.57 -0.65 0.08 -0.04 -0.31 0.00 0.00 175.10 174.75 1s1i s MET 59 N -3.32 3.09 0.26 4.82 -1.94 -1.02 -2.45 119.30 118.75 1s1i s MET 59 Ca 0.12 -0.44 -0.17 0.00 -1.71 0.00 0.00 55.69 53.50 1s1i s MET 59 Cb -0.00 -2.88 0.01 0.00 2.01 0.00 0.00 34.83 33.96 1s1i s MET 59 CO 0.01 0.67 0.59 0.00 -0.01 0.00 0.00 175.02 176.28 1s1i s ALA 60 N -1.14 -0.72 0.14 3.03 0.00 -1.26 -1.76 121.76 120.05 1s1i s ALA 60 Ca 0.21 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.68 1s1i s ALA 60 Cb -0.12 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1s1i s ALA 60 CO 0.12 -0.94 -0.24 0.99 0.00 0.00 0.00 175.76 175.69 1s1i s THR 61 N -3.97 2.09 -0.51 0.00 2.01 -0.70 -3.40 115.64 111.16 1s1i s THR 61 Ca 0.17 -1.80 -0.19 0.00 0.31 0.00 0.00 61.69 60.18 1s1i s THR 61 Cb -0.03 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.64 1s1i s THR 61 CO 0.08 -0.05 0.63 0.68 -0.69 0.00 0.00 174.62 175.26 1s1i s VAL 62 N -1.37 4.88 -0.05 3.82 -7.23 -1.09 0.87 120.40 120.22 1s1i s VAL 62 Ca 0.14 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.52 1s1i s VAL 62 Cb -0.09 -4.31 -0.20 0.00 0.56 0.00 0.00 36.38 32.34 1s1i s VAL 62 CO 0.07 -0.82 1.03 0.50 -0.31 0.00 0.00 175.10 175.56 1s1i h LYS 63 N 9.00 -0.07 0.00 4.82 3.64 -0.61 -3.08 116.57 130.27 1s1i h LYS 63 Ca -0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1s1i h LYS 63 Cb 1.09 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1s1i h LYS 63 CO 0.97 0.49 0.00 1.17 -2.27 0.00 0.00 179.45 179.81 1s1i n LYS 64 N -4.83 3.40 0.00 1.90 0.00 -1.10 -4.85 118.16 112.68 1s1i n LYS 64 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.23 1s1i n LYS 64 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.33 1s1i n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s1i n GLY 65 N 5.00 -0.02 0.00 3.14 0.00 -1.26 -4.38 105.19 107.67 1s1i n GLY 65 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1s1i n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s1i n LYS 66 N 0.00 0.00 -0.57 1.61 4.76 -1.25 -4.83 118.16 117.88 1s1i n LYS 66 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1s1i n LYS 66 Cb 0.00 0.00 0.26 0.00 -1.84 0.00 0.00 35.03 33.45 1s1i n LYS 66 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s1i s PRO 67 N 0.00 -1.86 -0.08 1.97 0.04 -1.26 -4.75 135.00 129.06 1s1i s PRO 67 Ca 0.00 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 1s1i s PRO 67 Cb 0.00 -1.48 0.00 0.00 0.04 0.00 0.00 34.50 33.06 1s1i s PRO 67 CO 0.00 -4.23 2.29 0.39 0.04 0.00 0.00 177.00 175.49 1s1i n GLU 68 N -5.21 1.37 -0.04 4.56 -0.58 -1.26 -3.16 120.64 116.33 1s1i n GLU 68 Ca 0.08 -0.56 -0.15 0.00 -0.42 0.00 0.00 57.16 56.11 1s1i n GLU 68 Cb 0.58 -1.32 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 1s1i n GLU 68 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1s1i h LEU 69 N 3.26 0.61 -9.70 -4.62 -0.00 -1.86 -3.44 115.31 99.55 1s1i h LEU 69 Ca 0.10 -0.61 -0.58 0.00 -0.00 0.00 0.00 57.88 56.80 1s1i h LEU 69 Cb 1.05 -0.18 0.15 0.00 -0.00 0.00 0.00 40.66 41.68 1s1i h LEU 69 CO 0.22 1.11 0.06 -2.11 -0.00 0.00 0.00 178.44 177.72 1s1i n ARG 70 N -4.27 1.02 0.00 1.13 1.85 -1.19 -4.15 116.66 111.05 1s1i n ARG 70 Ca -0.07 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 1s1i n ARG 70 Cb 0.56 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 1s1i n ARG 70 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1s1i n LYS 71 N -0.38 0.00 -3.84 2.89 4.81 -1.16 -4.98 118.16 115.49 1s1i n LYS 71 Ca 0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1s1i n LYS 71 Cb 0.44 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.51 1s1i n LYS 71 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1s1i s LYS 72 N 0.00 1.89 0.00 1.64 -2.85 -1.26 -2.68 119.74 116.48 1s1i s LYS 72 Ca 0.00 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1s1i s LYS 72 Cb 0.00 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 1s1i s LYS 72 CO 0.00 -0.88 0.00 1.33 0.10 0.00 0.00 175.35 175.90 1s1i n VAL 73 N -0.60 0.00 -0.57 1.79 0.24 -1.23 -5.00 118.33 112.96 1s1i n VAL 73 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1s1i n VAL 73 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1s1i n VAL 73 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1s1i n MET 74 N -1.44 0.00 -2.43 7.34 0.00 -1.22 -4.22 117.12 115.16 1s1i n MET 74 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.52 1s1i n MET 74 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.30 1s1i n MET 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1s1i n PRO 75 N 0.00 0.30 -3.63 3.17 -0.04 -1.22 -4.95 135.00 128.62 1s1i n PRO 75 Ca 0.00 -2.43 -0.10 0.00 -0.04 0.00 0.00 63.50 60.93 1s1i n PRO 75 Cb 0.00 -0.40 -0.04 0.00 -0.04 0.00 0.00 33.50 33.02 1s1i n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s1i s ALA 76 N -2.88 -0.95 0.02 0.55 0.00 -1.02 0.74 121.76 118.22 1s1i s ALA 76 Ca 0.53 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.52 1s1i s ALA 76 Cb -0.04 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1s1i s ALA 76 CO 0.35 -0.65 -0.18 0.96 0.00 0.00 0.00 175.76 176.23 1s1i s ILE 77 N -3.81 2.74 -0.38 0.00 -5.25 0.64 -1.41 121.20 113.73 1s1i s ILE 77 Ca 0.03 -1.10 -0.25 0.00 -0.99 0.00 0.00 60.65 58.34 1s1i s ILE 77 Cb 0.02 -2.12 0.02 0.00 2.95 0.00 0.00 42.46 43.32 1s1i s ILE 77 CO -0.12 0.41 0.89 0.54 -1.79 0.00 0.00 174.94 174.87 1s1i s VAL 78 N -0.85 4.61 -0.04 8.37 0.11 -1.26 -1.29 120.40 130.04 1s1i s VAL 78 Ca 0.13 1.05 -0.23 0.00 -2.93 0.00 0.00 61.98 60.00 1s1i s VAL 78 Cb -0.10 -4.31 -0.17 0.00 -1.53 0.00 0.00 36.38 30.26 1s1i s VAL 78 CO 0.04 -0.55 1.01 0.58 -3.33 0.00 0.00 175.10 172.84 1s1i h VAL 79 N 5.84 1.00 -3.50 2.04 2.07 -1.88 -3.09 116.25 118.72 1s1i h VAL 79 Ca -0.24 -1.12 -0.31 0.00 0.82 0.00 0.00 66.70 65.86 1s1i h VAL 79 Cb 1.08 1.63 -0.15 0.00 -1.52 0.00 0.00 31.29 32.33 1s1i h VAL 79 CO 0.97 0.24 -0.69 -0.13 0.02 0.00 0.00 177.57 177.98 1s1i s ARG 80 N -3.73 1.08 0.05 1.57 1.81 -1.26 -4.06 118.95 114.41 1s1i s ARG 80 Ca -0.14 -1.48 -0.12 0.00 -1.72 0.00 0.00 55.73 52.27 1s1i s ARG 80 Cb 0.01 -0.50 0.01 0.00 -0.45 0.00 0.00 34.95 34.02 1s1i s ARG 80 CO 0.54 0.00 0.27 -1.14 -0.68 0.00 0.00 175.30 174.29 1s1i s GLN 81 N -3.80 0.80 -0.38 3.54 2.00 -1.26 0.92 119.66 121.47 1s1i s GLN 81 Ca 0.19 -0.61 -0.08 0.00 -2.00 0.00 0.00 55.36 52.87 1s1i s GLN 81 Cb 0.04 0.34 0.06 0.00 0.80 0.00 0.00 33.01 34.25 1s1i s GLN 81 CO 0.01 -0.25 0.19 0.00 -0.50 0.00 0.00 175.29 174.74 1s1i s ALA 82 N -2.79 3.18 0.00 1.58 0.00 -1.26 -3.20 121.76 119.27 1s1i s ALA 82 Ca -0.03 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.93 1s1i s ALA 82 Cb -0.00 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1s1i s ALA 82 CO -0.05 -1.52 0.00 1.17 0.00 0.00 0.00 175.76 175.36 1s1i n LYS 83 N 4.85 0.00 -0.22 0.00 3.00 -1.26 -4.74 118.16 119.80 1s1i n LYS 83 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.17 1s1i n LYS 83 Cb 0.44 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.50 1s1i n LYS 83 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s1i n SER 84 N 0.00 -0.38 0.00 3.14 3.41 -1.26 -4.27 113.62 114.26 1s1i n SER 84 Ca 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1s1i n SER 84 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1s1i n SER 84 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1s1i n TRP 85 N -2.44 0.00 -0.55 7.33 7.02 -1.19 -3.99 117.44 123.62 1s1i n TRP 85 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1s1i n TRP 85 Cb 0.08 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 1s1i n TRP 85 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1s1i n ARG 86 N 0.00 0.00 -2.93 -0.99 0.00 -1.21 -4.42 116.66 107.11 1s1i n ARG 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1s1i n ARG 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1s1i n ARG 86 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1s1i n ARG 87 N 0.00 0.00 0.00 2.89 0.00 -1.26 -1.21 116.66 117.08 1s1i n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1s1i n ARG 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1s1i n ARG 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1s1i n ARG 88 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.62 116.66 113.67 1s1i n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1s1i n ARG 88 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 32.46 32.28 1s1i n ARG 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1s1i n ASP 89 N -0.84 0.00 -1.47 6.15 -0.08 -1.26 -5.10 116.55 113.95 1s1i n ASP 89 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1s1i n ASP 89 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1s1i n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s1i n GLY 90 N 3.24 1.26 3.71 0.27 0.00 -1.26 -5.07 105.19 107.33 1s1i n GLY 90 Ca 0.00 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 1s1i n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1i s VAL 91 N 1.22 3.81 0.03 1.61 1.01 -1.26 -4.57 120.40 122.26 1s1i s VAL 91 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1s1i s VAL 91 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1s1i s VAL 91 CO 0.00 -0.35 0.00 0.49 0.00 0.00 0.00 175.10 175.24 1s1i n PHE 92 N -0.95 0.07 -3.81 5.22 3.72 -0.35 -4.93 117.46 116.44 1s1i n PHE 92 Ca -0.07 -0.16 -0.25 0.00 -0.05 0.00 0.00 57.45 56.92 1s1i n PHE 92 Cb 0.58 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 1s1i n PHE 92 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1s1i s LEU 93 N 0.00 2.87 -0.11 4.37 0.05 -1.26 -4.52 118.68 120.08 1s1i s LEU 93 Ca 0.00 -1.13 -0.02 0.00 0.05 0.00 0.00 54.13 53.04 1s1i s LEU 93 Cb 0.00 -1.38 0.04 0.00 -2.05 0.00 0.00 46.19 42.80 1s1i s LEU 93 CO 0.00 -1.00 0.01 -0.72 -0.55 0.00 0.00 176.35 174.10 1s1i s TYR 94 N -2.70 0.78 -0.28 3.48 1.13 -1.26 -3.16 117.35 115.33 1s1i s TYR 94 Ca 0.38 -0.37 -0.16 0.00 -1.41 0.00 0.00 57.07 55.51 1s1i s TYR 94 Cb -0.02 -0.87 0.08 0.00 -1.10 0.00 0.00 41.96 40.05 1s1i s TYR 94 CO 0.23 -0.41 0.69 0.12 -2.51 0.00 0.00 175.55 173.67 1s1i s PHE 95 N 1.94 -1.04 0.00 -3.49 5.36 -1.19 -4.87 117.98 114.69 1s1i s PHE 95 Ca 0.03 2.11 0.00 0.00 -0.96 0.00 0.00 56.93 58.11 1s1i s PHE 95 Cb -0.14 0.61 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 1s1i s PHE 95 CO -0.06 -0.52 0.00 -1.91 -1.46 0.00 0.00 175.22 171.27 1s1i n GLU 96 N 4.22 0.00 -2.90 10.12 4.07 -1.26 -4.81 120.64 130.08 1s1i n GLU 96 Ca -0.20 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.79 1s1i n GLU 96 Cb 0.59 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.94 1s1i n GLU 96 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1s1i n ASP 97 N 0.00 2.46 -2.90 4.31 5.68 -1.26 -4.93 116.55 119.91 1s1i n ASP 97 Ca 0.00 -1.75 -0.08 0.00 -0.50 0.00 0.00 54.79 52.46 1s1i n ASP 97 Cb 0.00 0.12 0.07 0.00 -1.14 0.00 0.00 41.12 40.17 1s1i n ASP 97 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1s1i n ASN 98 N -1.11 -1.85 -3.80 -1.12 3.02 -1.26 -4.11 115.26 105.03 1s1i n ASN 98 Ca -0.07 -0.49 -0.06 0.00 -0.03 0.00 0.00 54.58 53.93 1s1i n ASN 98 Cb 0.22 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1s1i n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1i s ALA 99 N -2.59 -1.39 0.00 5.41 0.00 0.26 -4.59 121.76 118.86 1s1i s ALA 99 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1s1i s ALA 99 Cb -0.02 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1s1i s ALA 99 CO 0.15 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1s1i n GLY 100 N -0.46 1.34 3.05 0.00 0.00 -1.09 -3.63 105.19 104.40 1s1i n GLY 100 Ca -0.05 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1s1i n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1i s VAL 101 N -1.18 1.00 0.51 1.61 0.11 -0.41 0.97 120.40 123.00 1s1i s VAL 101 Ca 0.00 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 1s1i s VAL 101 Cb 0.00 -0.87 -0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1s1i s VAL 101 CO 0.00 0.30 1.16 0.27 -3.33 0.00 0.00 175.10 173.50 1s1i s ILE 102 N 0.13 3.06 0.06 7.04 -0.00 -1.26 -0.26 121.20 129.97 1s1i s ILE 102 Ca -0.03 0.73 -0.03 0.00 -0.00 0.00 0.00 60.65 61.32 1s1i s ILE 102 Cb -0.09 -3.34 -0.03 0.00 -0.00 0.00 0.00 42.46 39.00 1s1i s ILE 102 CO 0.01 -0.07 0.03 0.00 -0.00 0.00 0.00 174.94 174.90 1s1i s ALA 103 N -1.63 0.31 0.63 2.27 0.00 0.23 -3.41 121.76 120.16 1s1i s ALA 103 Ca 0.69 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1s1i s ALA 103 Cb -0.27 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.23 1s1i s ALA 103 CO 0.32 -0.40 0.90 1.21 0.00 0.00 0.00 175.76 177.79 1s1i s ASN 104 N -2.87 4.97 0.60 0.00 3.84 0.11 -3.44 114.94 118.16 1s1i s ASN 104 Ca 0.06 0.14 0.35 0.00 0.21 0.00 0.00 52.86 53.62 1s1i s ASN 104 Cb 0.07 -0.87 1.93 0.00 -0.55 0.00 0.00 41.25 41.83 1s1i s ASN 104 CO -0.10 -1.42 2.24 -0.65 -2.79 0.00 0.00 177.10 174.38 1s1i h PRO 105 N -0.28 0.00 -0.36 0.43 0.11 -1.94 0.70 132.00 130.67 1s1i h PRO 105 Ca -0.42 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1s1i h PRO 105 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1s1i h PRO 105 CO 0.54 0.03 -0.11 0.87 -0.21 0.00 0.00 178.00 179.12 1s1i h LYS 106 N 0.00 0.61 0.00 1.05 1.79 -2.03 -3.46 116.57 114.53 1s1i h LYS 106 Ca -0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1s1i h LYS 106 Cb 0.12 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1s1i h LYS 106 CO 0.00 0.71 0.00 0.41 -1.08 0.00 0.00 179.45 179.49 1s1i n GLY 107 N -0.57 0.72 3.85 3.86 0.00 0.24 -5.09 105.19 108.20 1s1i n GLY 107 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1s1i n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s1i s GLU 108 N -0.53 3.60 0.46 1.61 2.12 -1.26 -4.60 118.70 120.10 1s1i s GLU 108 Ca 0.00 0.88 -0.21 0.00 0.36 0.00 0.00 54.97 56.00 1s1i s GLU 108 Cb 0.00 -2.08 -0.09 0.00 0.26 0.00 0.00 34.13 32.22 1s1i s GLU 108 CO 0.00 -0.56 1.04 -1.64 -0.54 0.00 0.00 175.26 173.56 1s1i s MET 109 N -4.71 3.92 -0.61 4.30 -1.94 -1.26 -0.71 119.30 118.29 1s1i s MET 109 Ca 0.57 1.40 0.01 0.00 -1.71 0.00 0.00 55.69 55.97 1s1i s MET 109 Cb -0.11 -2.23 0.41 0.00 2.01 0.00 0.00 34.83 34.91 1s1i s MET 109 CO 0.45 -0.34 1.66 1.63 -0.01 0.00 0.00 175.02 178.42 1s1i n LYS 110 N -0.70 3.05 -3.51 2.03 5.02 -1.22 -4.82 118.16 118.02 1s1i n LYS 110 Ca 0.08 -3.82 0.01 0.00 -2.02 0.00 0.00 58.31 52.56 1s1i n LYS 110 Cb 0.52 -2.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 1s1i n LYS 110 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1s1i s GLY 111 N -2.31 0.12 0.09 0.72 0.00 -1.26 -3.48 107.32 101.20 1s1i s GLY 111 Ca 0.54 3.34 -0.27 0.00 0.00 0.00 0.00 44.72 48.32 1s1i s GLY 111 CO -0.18 2.94 1.67 1.76 0.00 0.00 0.00 173.10 179.29 1s1i h SER 112 N 6.44 -0.46 -3.17 1.64 0.02 -1.89 -3.43 113.55 112.70 1s1i h SER 112 Ca -0.22 0.03 -0.65 0.00 -0.84 0.00 0.00 61.79 60.11 1s1i h SER 112 Cb 1.15 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.74 1s1i h SER 112 CO 0.15 -0.29 -0.60 0.00 -1.14 0.00 0.00 176.83 174.96 1s1i s ALA 113 N -6.11 3.54 -0.20 3.77 0.00 -1.26 -4.92 121.76 116.57 1s1i s ALA 113 Ca -0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1s1i s ALA 113 Cb 0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1s1i s ALA 113 CO 0.64 0.71 -0.05 0.96 0.00 0.00 0.00 175.76 178.03 1s1i s ILE 114 N -1.27 3.42 0.26 0.00 -4.36 -1.25 -4.52 121.20 113.48 1s1i s ILE 114 Ca 0.25 -0.49 -0.30 0.00 -0.26 0.00 0.00 60.65 59.86 1s1i s ILE 114 Cb -0.12 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 1s1i s ILE 114 CO 0.17 0.44 0.97 0.28 0.24 0.00 0.00 174.94 177.04 1s1i s THR 115 N 1.23 3.96 0.00 8.37 -1.32 -0.78 -4.78 115.64 122.32 1s1i s THR 115 Ca 0.03 1.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.46 1s1i s THR 115 Cb -0.14 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.62 1s1i s THR 115 CO -0.01 0.44 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 1s1i n GLY 116 N 1.36 -0.06 1.06 6.08 0.00 -1.26 -4.59 105.19 107.77 1s1i n GLY 116 Ca -0.01 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1s1i n GLY 116 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s1i n PRO 117 N 0.07 -0.75 -3.63 1.61 -0.02 -1.26 -4.55 135.00 126.46 1s1i n PRO 117 Ca 0.00 -0.56 -0.11 0.00 -2.02 0.00 0.00 63.50 60.82 1s1i n PRO 117 Cb 0.00 -0.41 -0.05 0.00 -0.02 0.00 0.00 33.50 33.02 1s1i n PRO 117 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1s1i s VAL 118 N -1.74 0.07 0.51 -1.45 -7.23 -0.90 -4.92 120.40 104.73 1s1i s VAL 118 Ca 0.21 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.70 1s1i s VAL 118 Cb -0.01 -1.16 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 1s1i s VAL 118 CO 0.15 -0.31 0.91 -0.83 -0.31 0.00 0.00 175.10 174.71 1s1i s GLY 119 N -2.77 1.82 0.01 2.32 0.00 -1.26 -0.93 107.32 106.52 1s1i s GLY 119 Ca 0.03 -0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.39 1s1i s GLY 119 CO -0.12 0.12 1.36 1.70 0.00 0.00 0.00 173.10 176.17 1s1i h LYS 120 N 0.52 0.06 -2.72 2.90 1.63 -1.94 -3.29 116.57 113.73 1s1i h LYS 120 Ca -0.46 -0.03 -0.81 0.00 -0.85 0.00 0.00 60.65 58.50 1s1i h LYS 120 Cb 1.19 -0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.54 1s1i h LYS 120 CO 0.62 0.45 0.87 0.39 -3.45 0.00 0.00 179.45 178.33 1s1i n GLU 121 N -4.85 4.77 0.00 1.90 -0.58 -1.26 -1.70 120.64 118.93 1s1i n GLU 121 Ca -0.08 -4.59 0.00 0.00 -0.42 0.00 0.00 57.16 52.07 1s1i n GLU 121 Cb 0.23 -2.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 1s1i n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s1i h ALA 123 N 0.00 0.31 -0.50 0.00 0.00 -1.42 -0.32 119.26 117.34 1s1i h ALA 123 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1s1i h ALA 123 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1s1i h ALA 123 CO 0.00 -0.15 0.31 0.22 0.00 0.00 0.00 179.25 179.63 1s1i h ASP 124 N 0.28 0.51 0.14 0.00 1.82 -1.83 -1.86 116.42 115.48 1s1i h ASP 124 Ca 0.09 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1s1i h ASP 124 Cb 0.08 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1s1i h ASP 124 CO -0.01 0.36 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.84 1s1i h LEU 125 N 0.62 -0.16 -7.64 2.28 3.38 -1.77 -3.41 115.31 108.60 1s1i h LEU 125 Ca 0.20 -0.13 -0.46 0.00 0.09 0.00 0.00 57.88 57.57 1s1i h LEU 125 Cb -0.01 0.04 -0.36 0.00 0.09 0.00 0.00 40.66 40.41 1s1i h LEU 125 CO -0.07 0.04 -0.78 0.26 0.09 0.00 0.00 178.44 177.97 1s1i s TRP 126 N -5.49 0.98 0.82 1.13 0.52 -0.15 -4.73 118.94 112.01 1s1i s TRP 126 Ca -0.14 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 55.52 1s1i s TRP 126 Cb 0.04 -0.91 0.14 0.00 -1.15 0.00 0.00 33.47 31.58 1s1i s TRP 126 CO 0.64 -0.35 1.14 -1.25 0.02 0.00 0.00 176.95 177.15 1s1i s PRO 127 N 1.55 1.41 0.00 4.98 0.04 -1.06 -3.23 135.00 138.70 1s1i s PRO 127 Ca -0.00 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1s1i s PRO 127 Cb -0.13 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1s1i s PRO 127 CO -0.04 -1.78 0.00 0.54 0.04 0.00 0.00 177.00 175.75 1s1i n ARG 128 N -3.25 0.00 0.06 4.56 1.74 -1.26 -4.39 116.66 114.12 1s1i n ARG 128 Ca 0.13 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.09 1s1i n ARG 128 Cb 0.60 -0.04 -0.08 0.00 -1.02 0.00 0.00 32.46 31.92 1s1i n ARG 128 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1s1i h VAL 129 N 0.00 0.98 -3.37 1.55 2.07 -1.81 -3.08 116.25 112.58 1s1i h VAL 129 Ca 0.00 -1.04 -0.56 0.00 0.82 0.00 0.00 66.70 65.93 1s1i h VAL 129 Cb 0.00 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1s1i h VAL 129 CO 0.00 0.22 0.11 0.00 0.02 0.00 0.00 177.57 177.92 1s1i s ALA 130 N -4.08 3.33 0.00 1.67 0.00 -1.20 -3.75 121.76 117.73 1s1i s ALA 130 Ca -0.14 0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1s1i s ALA 130 Cb 0.01 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1s1i s ALA 130 CO 0.55 -0.09 0.00 0.45 0.00 0.00 0.00 175.76 176.67 1s1i n SER 131 N 3.67 0.00 -2.08 0.00 2.88 -1.26 -4.48 113.62 112.36 1s1i n SER 131 Ca -0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.43 1s1i n SER 131 Cb 0.51 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 1s1i n SER 131 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s1i n ASN 132 N 0.00 4.47 0.09 -3.46 4.13 -1.16 -4.32 115.26 115.00 1s1i n ASN 132 Ca 0.00 -2.34 -0.08 0.00 1.68 0.00 0.00 54.58 53.85 1s1i n ASN 132 Cb 0.00 -1.21 -0.05 0.00 -1.54 0.00 0.00 39.78 36.98 1s1i n ASN 132 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1s1i h SER 133 N 3.45 -0.27 0.00 6.41 4.64 -1.87 -3.33 113.55 122.57 1s1i h SER 133 Ca 0.16 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1s1i h SER 133 Cb 1.29 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1s1i h SER 133 CO 0.27 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1s1i n GLY 134 N 0.78 2.78 3.61 -0.77 0.00 -1.26 -4.63 105.19 105.70 1s1i n GLY 134 Ca -0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1s1i n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1i s VAL 135 N -1.54 0.00 0.27 1.61 0.11 -1.26 -5.05 120.40 114.53 1s1i s VAL 135 Ca 0.00 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.16 1s1i s VAL 135 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1s1i s VAL 135 CO 0.00 0.00 -0.20 0.68 -3.33 0.00 0.00 175.10 172.25 1s1i s VAL 136 N -0.20 2.38 0.00 2.04 -7.23 -1.26 -2.11 120.40 114.02 1s1i s VAL 136 Ca 0.00 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.81 1s1i s VAL 136 Cb -0.03 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1s1i s VAL 136 CO -0.02 -0.41 0.00 0.52 -0.31 0.00 0.00 175.10 174.88