#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rch s LEU 2 N 0.00 3.96 -1.38 -0.89 1.43 -1.26 -4.94 118.68 115.61 1rch s LEU 2 Ca 0.00 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 1rch s LEU 2 Cb 0.00 -3.30 0.09 0.00 0.03 0.00 0.00 46.19 43.01 1rch s LEU 2 CO 0.00 -0.91 2.03 0.29 0.23 0.00 0.00 176.35 177.99 1rch n LYS 3 N 6.91 3.15 -3.53 1.70 4.76 -1.26 -4.65 118.16 125.25 1rch n LYS 3 Ca 0.08 -3.02 -0.15 0.00 -2.87 0.00 0.00 58.31 52.35 1rch n LYS 3 Cb 0.48 -3.18 -0.05 0.00 -1.84 0.00 0.00 35.03 30.44 1rch n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1rch s GLN 4 N 2.32 0.94 0.02 1.97 2.00 -1.26 -5.10 119.66 120.55 1rch s GLN 4 Ca 0.45 0.13 -0.26 0.00 -2.00 0.00 0.00 55.36 53.68 1rch s GLN 4 Cb 0.11 0.44 -0.05 0.00 0.80 0.00 0.00 33.01 34.31 1rch s GLN 4 CO -0.04 -0.31 0.79 0.08 -0.50 0.00 0.00 175.29 175.31 1rch s VAL 5 N -1.51 4.79 -0.01 1.34 1.01 -1.22 -4.34 120.40 120.46 1rch s VAL 5 Ca -0.07 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1rch s VAL 5 Cb -0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1rch s VAL 5 CO 0.05 0.31 -0.13 -1.61 0.00 0.00 0.00 175.10 173.72 1rch s GLU 6 N 0.25 1.05 -0.41 2.72 2.02 -0.71 -1.30 118.70 122.32 1rch s GLU 6 Ca 0.41 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.94 1rch s GLU 6 Cb -0.20 -1.02 0.15 0.00 0.10 0.00 0.00 34.13 33.16 1rch s GLU 6 CO 0.23 0.28 0.27 0.42 0.02 0.00 0.00 175.26 176.48 1rch s ILE 7 N -0.32 0.69 -0.56 -1.63 1.01 -1.04 -2.19 121.20 117.16 1rch s ILE 7 Ca 0.05 -2.31 -0.22 0.00 0.00 0.00 0.00 60.65 58.17 1rch s ILE 7 Cb -0.05 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 40.99 1rch s ILE 7 CO -0.00 -1.03 0.82 -0.36 0.00 0.00 0.00 174.94 174.37 1rch s PHE 8 N 0.49 2.87 0.08 3.97 0.08 -1.07 -1.93 117.98 122.47 1rch s PHE 8 Ca 0.22 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 56.77 1rch s PHE 8 Cb -0.16 -3.93 -0.06 0.00 -0.57 0.00 0.00 43.02 38.30 1rch s PHE 8 CO -0.05 -1.29 0.49 0.95 -0.10 0.00 0.00 175.22 175.21 1rch s THR 9 N 3.43 4.92 -0.30 0.64 -4.23 -1.03 -1.53 115.64 117.54 1rch s THR 9 Ca 0.22 0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1rch s THR 9 Cb -0.16 -3.75 0.19 0.00 1.34 0.00 0.00 72.50 70.12 1rch s THR 9 CO 0.14 0.41 0.61 -0.62 -0.54 0.00 0.00 174.62 174.62 1rch s ASP 10 N -1.42 -1.41 0.86 3.99 -1.08 -0.49 -4.78 116.67 112.34 1rch s ASP 10 Ca 0.31 0.73 -0.11 0.00 -0.52 0.00 0.00 52.55 52.96 1rch s ASP 10 Cb -0.16 2.12 0.11 0.00 -1.46 0.00 0.00 42.92 43.53 1rch s ASP 10 CO 0.17 -0.26 1.09 -0.83 0.52 0.00 0.00 175.17 175.86 1rch s GLY 11 N 2.86 1.62 -0.27 2.66 0.00 -1.26 -1.45 107.32 111.48 1rch s GLY 11 Ca 0.18 -0.11 0.17 0.00 0.00 0.00 0.00 44.72 44.97 1rch s GLY 11 CO -0.22 0.36 1.14 -1.14 0.00 0.00 0.00 173.10 173.24 1rch n SER 12 N -3.72 2.77 -4.62 1.64 3.41 -0.09 -4.74 113.62 108.26 1rch n SER 12 Ca 0.07 -2.65 -0.42 0.00 -0.26 0.00 0.00 58.87 55.61 1rch n SER 12 Cb 0.56 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1rch n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rch h LEU 14 N 9.43 0.40 0.00 0.00 3.38 -1.86 -3.45 115.31 123.20 1rch h LEU 14 Ca -0.24 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1rch h LEU 14 Cb 1.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1rch h LEU 14 CO 0.89 1.57 0.00 0.61 0.09 0.00 0.00 178.44 181.59 1rch n GLY 15 N 1.78 2.71 2.67 0.83 0.00 -1.26 -4.98 105.19 106.93 1rch n GLY 15 Ca -0.22 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 43.92 1rch n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rch n ASN 16 N 0.00 -1.39 -4.35 1.61 5.15 -1.26 -4.45 115.26 110.57 1rch n ASN 16 Ca 0.00 -1.21 -0.29 0.00 -0.60 0.00 0.00 54.58 52.48 1rch n ASN 16 Cb 0.00 0.72 0.18 0.00 -0.53 0.00 0.00 39.78 40.14 1rch n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rch s PRO 17 N 0.70 0.38 0.09 1.20 0.04 -1.26 -5.05 135.00 131.09 1rch s PRO 17 Ca 0.24 0.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.02 1rch s PRO 17 Cb 0.16 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 33.01 1rch s PRO 17 CO -0.10 -2.65 1.10 0.20 0.04 0.00 0.00 177.00 175.59 1rch s GLY 18 N -4.23 -0.27 -0.90 0.56 0.00 -1.07 -4.86 107.32 96.55 1rch s GLY 18 Ca 0.68 0.29 -0.24 0.00 0.00 0.00 0.00 44.72 45.45 1rch s GLY 18 CO 0.54 0.42 1.67 2.56 0.00 0.00 0.00 173.10 178.29 1rch s PRO 19 N -2.83 3.04 0.00 2.90 0.04 -1.11 -2.72 135.00 134.33 1rch s PRO 19 Ca 0.14 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1rch s PRO 19 Cb 0.01 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.54 1rch s PRO 19 CO 0.00 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1rch n GLY 20 N 6.58 4.62 0.00 0.56 0.00 -1.20 -4.54 105.19 111.22 1rch n GLY 20 Ca 0.31 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1rch n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rch n GLY 21 N 0.00 3.06 3.18 -0.02 0.00 -0.96 0.76 105.19 111.21 1rch n GLY 21 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1rch n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rch s TYR 22 N -0.95 -0.62 -0.08 1.61 1.13 -1.24 -0.91 117.35 116.29 1rch s TYR 22 Ca 0.00 1.27 0.05 0.00 -1.41 0.00 0.00 57.07 56.98 1rch s TYR 22 Cb 0.00 0.18 -0.00 0.00 -1.10 0.00 0.00 41.96 41.04 1rch s TYR 22 CO 0.00 -0.40 -0.23 0.20 -2.51 0.00 0.00 175.55 172.60 1rch s GLY 23 N 2.24 1.27 -0.01 5.49 0.00 -0.53 -2.61 107.32 113.17 1rch s GLY 23 Ca -0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1rch s GLY 23 CO -0.11 -0.41 0.03 0.00 0.00 0.00 0.00 173.10 172.60 1rch s ALA 24 N 0.17 -0.07 -0.41 3.20 0.00 -0.93 -1.40 121.76 122.33 1rch s ALA 24 Ca -0.13 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 1rch s ALA 24 Cb -0.16 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1rch s ALA 24 CO 0.07 -0.01 0.58 0.42 0.00 0.00 0.00 175.76 176.81 1rch s ILE 25 N 0.02 4.92 -0.02 0.00 1.01 -0.58 -2.46 121.20 124.09 1rch s ILE 25 Ca -0.00 0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1rch s ILE 25 Cb -0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1rch s ILE 25 CO 0.00 -0.48 0.35 -0.22 0.00 0.00 0.00 174.94 174.59 1rch s LEU 26 N 2.60 4.44 -0.32 2.97 2.96 0.18 -2.60 118.68 128.91 1rch s LEU 26 Ca 0.20 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1rch s LEU 26 Cb -0.15 -2.52 0.10 0.00 0.50 0.00 0.00 46.19 44.12 1rch s LEU 26 CO 0.17 0.33 0.05 -0.60 -1.32 0.00 0.00 176.35 174.98 1rch s ARG 27 N -1.18 1.30 0.00 1.98 3.52 -0.93 -0.93 118.95 122.72 1rch s ARG 27 Ca 0.23 -1.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.23 1rch s ARG 27 Cb -0.15 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1rch s ARG 27 CO 0.12 -0.92 0.00 0.98 -0.81 0.00 0.00 175.30 174.67 1rch n TYR 28 N 4.44 -0.63 -1.54 5.12 9.36 -0.80 -1.73 117.16 131.38 1rch n TYR 28 Ca 0.01 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.92 1rch n TYR 28 Cb 0.42 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.05 1rch n TYR 28 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1rch n ARG 29 N -0.21 0.66 -3.27 2.98 5.12 -1.26 -1.99 116.66 118.70 1rch n ARG 29 Ca 0.00 -0.19 -0.21 0.00 -1.93 0.00 0.00 57.85 55.52 1rch n ARG 29 Cb 0.00 -2.97 -0.01 0.00 -1.16 0.00 0.00 32.46 28.32 1rch n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rch n GLY 30 N 6.24 -0.48 3.12 -0.13 0.00 -1.26 -4.87 105.19 107.81 1rch n GLY 30 Ca 0.47 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.58 1rch n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rch s ARG 31 N -5.89 0.55 -0.44 1.61 0.52 -0.84 -5.11 118.95 109.34 1rch s ARG 31 Ca 0.35 0.91 -0.28 0.00 -0.52 0.00 0.00 55.73 56.18 1rch s ARG 31 Cb -0.19 0.42 0.01 0.00 0.52 0.00 0.00 34.95 35.71 1rch s ARG 31 CO 0.42 -0.67 1.46 -1.21 0.02 0.00 0.00 175.30 175.32 1rch s GLU 32 N 2.82 3.48 0.05 3.54 2.02 -1.26 -1.90 118.70 127.45 1rch s GLU 32 Ca 0.19 0.88 -0.05 0.00 0.02 0.00 0.00 54.97 56.01 1rch s GLU 32 Cb -0.15 -4.07 -0.05 0.00 0.10 0.00 0.00 34.13 29.97 1rch s GLU 32 CO -0.21 -1.69 0.29 0.15 0.02 0.00 0.00 175.26 173.81 1rch s LYS 33 N 5.16 3.57 0.05 1.61 1.02 -0.10 -4.94 119.74 126.10 1rch s LYS 33 Ca 0.61 -0.14 0.08 0.00 0.02 0.00 0.00 55.97 56.55 1rch s LYS 33 Cb -0.14 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1rch s LYS 33 CO 0.31 0.59 -0.23 0.99 -0.92 0.00 0.00 175.35 176.09 1rch s THR 34 N -1.43 1.89 -0.35 2.17 2.01 -1.26 0.49 115.64 119.16 1rch s THR 34 Ca 0.32 -1.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 1rch s THR 34 Cb -0.13 -1.63 0.12 0.00 0.01 0.00 0.00 72.50 70.87 1rch s THR 34 CO 0.20 0.26 0.18 -0.36 -0.69 0.00 0.00 174.62 174.22 1rch s PHE 35 N -0.82 1.03 -0.39 4.92 0.40 -1.03 -4.97 117.98 117.12 1rch s PHE 35 Ca 0.09 -1.64 0.01 0.00 -0.60 0.00 0.00 56.93 54.80 1rch s PHE 35 Cb -0.09 -1.22 0.12 0.00 0.51 0.00 0.00 43.02 42.33 1rch s PHE 35 CO 0.02 -0.83 0.17 0.45 0.70 0.00 0.00 175.22 175.74 1rch s SER 36 N 1.23 3.90 0.80 1.36 0.15 -1.25 -2.18 113.70 117.71 1rch s SER 36 Ca 0.15 -2.26 -0.04 0.00 0.70 0.00 0.00 55.95 54.50 1rch s SER 36 Cb -0.21 -1.05 0.16 0.00 -1.71 0.00 0.00 66.02 63.21 1rch s SER 36 CO -0.11 -0.33 1.10 0.00 1.20 0.00 0.00 173.24 175.10 1rch s ALA 37 N 0.81 3.37 -0.22 5.45 0.00 -1.07 -4.89 121.76 125.21 1rch s ALA 37 Ca 0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 1rch s ALA 37 Cb -0.22 -2.13 0.08 0.00 0.00 0.00 0.00 23.12 20.85 1rch s ALA 37 CO -0.09 -1.79 0.14 0.20 0.00 0.00 0.00 175.76 174.22 1rch s GLY 38 N -4.83 0.28 0.58 0.00 0.00 -1.26 -3.67 107.32 98.42 1rch s GLY 38 Ca 0.70 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.08 1rch s GLY 38 CO 0.47 1.97 0.80 -0.19 0.00 0.00 0.00 173.10 176.15 1rch s TYR 39 N 2.19 2.10 -0.15 1.90 2.02 0.23 0.70 117.35 126.33 1rch s TYR 39 Ca 0.05 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1rch s TYR 39 Cb -0.16 -2.61 -0.14 0.00 -0.40 0.00 0.00 41.96 38.66 1rch s TYR 39 CO -0.18 -1.10 -0.04 0.25 -1.57 0.00 0.00 175.55 172.90 1rch n THR 40 N -2.37 0.93 -3.31 -0.71 -2.24 -1.26 -3.23 114.28 102.09 1rch n THR 40 Ca 0.12 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1rch n THR 40 Cb 0.60 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 1rch n THR 40 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rch s ARG 41 N -2.32 0.40 0.23 -0.78 0.52 -1.24 -2.74 118.95 113.01 1rch s ARG 41 Ca -0.13 0.44 -0.22 0.00 -0.52 0.00 0.00 55.73 55.30 1rch s ARG 41 Cb 0.05 -0.29 0.04 0.00 0.52 0.00 0.00 34.95 35.27 1rch s ARG 41 CO 0.47 -0.79 0.67 -0.08 0.02 0.00 0.00 175.30 175.60 1rch s THR 42 N 2.59 0.00 0.08 0.02 -1.32 -1.10 -4.53 115.64 111.38 1rch s THR 42 Ca 0.12 -0.59 -0.01 0.00 -1.21 0.00 0.00 61.69 60.00 1rch s THR 42 Cb -0.14 -1.59 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 1rch s THR 42 CO -0.22 0.00 0.26 0.42 -2.21 0.00 0.00 174.62 172.87 1rch s THR 43 N -3.85 5.33 0.25 5.08 -4.23 -1.26 -2.60 115.64 114.36 1rch s THR 43 Ca 0.07 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1rch s THR 43 Cb -0.04 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.40 1rch s THR 43 CO -0.01 0.11 1.86 -1.13 -0.54 0.00 0.00 174.62 174.91 1rch h ASN 44 N 2.99 0.89 0.24 3.99 -0.73 -1.87 0.53 115.58 121.63 1rch h ASN 44 Ca -0.45 0.01 0.01 0.00 1.87 0.00 0.00 56.30 57.74 1rch h ASN 44 Cb 1.16 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.54 1rch h ASN 44 CO 0.75 0.57 -0.36 0.78 -0.37 0.00 0.00 177.43 178.80 1rch h ASN 45 N 1.03 -1.02 -0.31 1.15 -0.26 -1.98 0.80 115.58 115.00 1rch h ASN 45 Ca 0.39 0.10 0.05 0.00 -0.56 0.00 0.00 56.30 56.27 1rch h ASN 45 Cb 0.16 0.36 -0.04 0.00 -1.06 0.00 0.00 38.32 37.74 1rch h ASN 45 CO -0.17 -0.48 0.04 0.03 -1.06 0.00 0.00 177.43 175.80 1rch h ARG 46 N -0.67 0.14 -1.00 0.81 3.08 -1.81 -1.93 114.38 112.99 1rch h ARG 46 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1rch h ARG 46 Cb 0.65 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 1rch h ARG 46 CO -0.14 0.09 0.65 0.52 -1.07 0.00 0.00 179.97 180.02 1rch h MET 47 N 0.15 1.13 -0.50 0.04 2.86 -0.50 0.37 114.93 118.47 1rch h MET 47 Ca 0.14 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1rch h MET 47 Cb 0.17 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1rch h MET 47 CO -0.21 0.75 0.31 0.93 1.06 0.00 0.00 176.91 179.75 1rch h GLU 48 N 1.16 0.61 -0.18 1.72 5.08 -0.17 -0.50 114.58 122.30 1rch h GLU 48 Ca 0.44 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1rch h GLU 48 Cb 0.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1rch h GLU 48 CO -0.18 0.41 0.10 -0.07 -1.00 0.00 0.00 179.01 178.27 1rch h LEU 49 N 0.63 0.17 -1.53 1.33 3.38 -0.28 -2.07 115.31 116.95 1rch h LEU 49 Ca 0.19 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.34 1rch h LEU 49 Cb -0.02 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1rch h LEU 49 CO -0.07 0.13 0.55 -0.03 0.09 0.00 0.00 178.44 179.11 1rch h MET 50 N 0.22 0.42 -0.01 1.13 4.05 0.36 0.57 114.93 121.66 1rch h MET 50 Ca 0.07 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1rch h MET 50 Cb -0.01 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1rch h MET 50 CO -0.03 0.28 -0.01 0.00 0.23 0.00 0.00 176.91 177.37 1rch h ALA 51 N 1.63 0.02 -0.57 0.39 0.00 -0.56 0.82 119.26 120.99 1rch h ALA 51 Ca 0.42 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1rch h ALA 51 Cb 0.98 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1rch h ALA 51 CO -0.15 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 178.90 1rch h ALA 52 N 0.54 0.97 0.15 0.00 0.00 -0.47 -1.95 119.26 118.50 1rch h ALA 52 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1rch h ALA 52 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rch h ALA 52 CO 0.00 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.63 1rch h ILE 53 N 0.90 0.76 -0.89 0.00 2.04 0.08 -2.09 117.51 118.31 1rch h ILE 53 Ca 0.17 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 64.94 1rch h ILE 53 Cb 0.48 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 1rch h ILE 53 CO 0.02 0.21 0.53 0.58 0.00 0.00 0.00 178.15 179.49 1rch h VAL 54 N -0.92 0.92 0.30 1.67 2.07 -0.87 0.72 116.25 120.13 1rch h VAL 54 Ca -0.02 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1rch h VAL 54 Cb 0.50 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1rch h VAL 54 CO 0.03 0.16 -0.24 0.00 0.02 0.00 0.00 177.57 177.54 1rch h ALA 55 N 1.49 -0.53 -0.43 1.67 0.00 -1.39 0.74 119.26 120.80 1rch h ALA 55 Ca 0.43 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1rch h ALA 55 Cb 0.40 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1rch h ALA 55 CO -0.25 -0.82 0.19 -0.07 0.00 0.00 0.00 179.25 178.30 1rch h LEU 56 N -0.54 0.26 -0.76 0.00 3.38 -0.38 -1.70 115.31 115.56 1rch h LEU 56 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1rch h LEU 56 Cb 0.48 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1rch h LEU 56 CO -0.02 0.19 0.51 -0.33 0.09 0.00 0.00 178.44 178.88 1rch h GLU 57 N 0.39 1.00 -0.91 1.13 5.08 0.75 -1.54 114.58 120.48 1rch h GLU 57 Ca 0.19 -0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 1rch h GLU 57 Cb 0.13 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 1rch h GLU 57 CO -0.15 0.66 0.59 0.00 -1.00 0.00 0.00 179.01 179.11 1rch h ALA 58 N 1.28 2.01 -2.15 3.43 0.00 0.14 -3.40 119.26 120.57 1rch h ALA 58 Ca 0.28 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.61 1rch h ALA 58 Cb -0.12 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 17.65 1rch h ALA 58 CO -0.06 -0.29 0.85 1.28 0.00 0.00 0.00 179.25 181.03 1rch n LEU 59 N -4.56 3.06 -2.01 0.00 4.77 -0.58 -4.84 117.00 112.84 1rch n LEU 59 Ca 0.19 1.06 -0.15 0.00 -0.03 0.00 0.00 56.01 57.08 1rch n LEU 59 Cb 0.60 -1.39 0.21 0.00 -2.33 0.00 0.00 43.42 40.52 1rch n LEU 59 CO 0.29 -0.29 1.11 0.29 -1.33 0.00 0.00 177.39 177.46 1rch n LYS 60 N 4.26 2.69 0.00 3.23 4.76 -1.26 -4.74 118.16 127.10 1rch n LYS 60 Ca 0.19 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 1rch n LYS 60 Cb 0.28 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 1rch n LYS 60 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1rch n GLU 61 N -0.60 0.00 -1.54 1.97 0.28 -1.26 -5.09 120.64 114.40 1rch n GLU 61 Ca 0.47 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 57.16 1rch n GLU 61 Cb 1.44 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 34.24 1rch n GLU 61 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1rch n HIS 62 N 0.00 1.15 -4.45 -1.84 8.25 -1.26 -4.85 115.22 112.22 1rch n HIS 62 Ca 0.00 0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.35 1rch n HIS 62 Cb 0.00 -2.47 -0.09 0.00 1.12 0.00 0.00 29.99 28.55 1rch n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rch n GLU 64 N -0.77 0.88 -4.02 0.00 1.02 -1.26 -4.57 120.64 111.92 1rch n GLU 64 Ca -0.03 0.31 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 1rch n GLU 64 Cb 0.65 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 1rch n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rch s VAL 65 N -0.50 0.27 -0.33 2.62 1.01 -0.78 -3.43 120.40 119.26 1rch s VAL 65 Ca 0.70 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1rch s VAL 65 Cb -0.87 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 35.28 1rch s VAL 65 CO 0.55 0.13 0.05 -0.51 0.00 0.00 0.00 175.10 175.32 1rch s ILE 66 N 0.57 2.79 0.13 2.22 2.07 -0.42 -2.06 121.20 126.50 1rch s ILE 66 Ca -0.06 -1.82 -0.21 0.00 -1.41 0.00 0.00 60.65 57.15 1rch s ILE 66 Cb -0.09 -2.80 -0.07 0.00 0.13 0.00 0.00 42.46 39.63 1rch s ILE 66 CO -0.01 -0.37 0.66 -0.22 -1.91 0.00 0.00 174.94 173.09 1rch s LEU 67 N 1.12 4.52 -0.05 8.50 0.20 -0.24 -2.48 118.68 130.24 1rch s LEU 67 Ca 0.02 1.40 0.01 0.00 0.69 0.00 0.00 54.13 56.24 1rch s LEU 67 Cb -0.20 -3.13 0.02 0.00 -0.43 0.00 0.00 46.19 42.45 1rch s LEU 67 CO -0.04 0.22 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.65 1rch s SER 68 N -1.22 1.14 0.00 3.68 0.15 -0.81 -0.05 113.70 116.60 1rch s SER 68 Ca 0.33 -0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 1rch s SER 68 Cb -0.20 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1rch s SER 68 CO 0.22 -0.08 0.02 1.07 1.20 0.00 0.00 173.24 175.67 1rch n THR 69 N 4.28 0.00 -2.22 6.45 5.66 -1.05 -2.46 114.28 124.95 1rch n THR 69 Ca -0.21 -0.01 -0.04 0.00 -3.05 0.00 0.00 64.05 60.74 1rch n THR 69 Cb 0.51 0.01 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 1rch n THR 69 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1rch n ASP 70 N -0.54 -0.67 -4.76 1.09 5.75 -1.26 -2.42 116.55 113.74 1rch n ASP 70 Ca -0.00 -2.04 -0.40 0.00 -0.01 0.00 0.00 54.79 52.34 1rch n ASP 70 Cb 0.01 0.24 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1rch n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rch s SER 71 N -1.28 7.44 0.06 -1.12 0.15 -1.26 -4.96 113.70 112.72 1rch s SER 71 Ca 0.08 1.71 -0.16 0.00 0.70 0.00 0.00 55.95 58.27 1rch s SER 71 Cb 0.14 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.74 1rch s SER 71 CO -0.05 0.12 1.24 -0.61 1.20 0.00 0.00 173.24 175.14 1rch h GLN 72 N 4.72 0.62 -0.99 5.44 4.15 -2.00 -0.28 115.11 126.77 1rch h GLN 72 Ca -0.45 -0.53 0.23 0.00 0.77 0.00 0.00 58.65 58.67 1rch h GLN 72 Cb 1.21 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.93 1rch h GLN 72 CO 0.68 1.15 0.64 -0.92 -1.93 0.00 0.00 178.83 178.45 1rch h TYR 73 N 0.26 0.69 0.00 3.99 3.20 -1.96 0.22 116.97 123.37 1rch h TYR 73 Ca -0.05 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 1rch h TYR 73 Cb 1.30 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1rch h TYR 73 CO 0.11 0.12 -0.51 0.28 -1.64 0.00 0.00 178.16 176.52 1rch h VAL 74 N 0.47 1.27 -0.43 1.81 2.07 -1.93 0.06 116.25 119.57 1rch h VAL 74 Ca 0.55 -2.15 0.08 0.00 0.82 0.00 0.00 66.70 66.00 1rch h VAL 74 Cb 1.29 2.60 -0.09 0.00 -1.52 0.00 0.00 31.29 33.56 1rch h VAL 74 CO -0.27 0.43 -0.40 -0.09 0.02 0.00 0.00 177.57 177.26 1rch h ARG 75 N -1.00 -0.28 0.02 1.57 2.43 -0.41 0.84 114.38 117.55 1rch h ARG 75 Ca -0.13 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1rch h ARG 75 Cb 1.04 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1rch h ARG 75 CO -0.08 -0.19 -0.01 1.96 -1.51 0.00 0.00 179.97 180.14 1rch h GLN 76 N -0.29 -0.03 -0.69 0.20 4.20 -0.76 -2.19 115.11 115.55 1rch h GLN 76 Ca 0.16 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.02 1rch h GLN 76 Cb 0.57 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.23 1rch h GLN 76 CO -0.59 0.67 -0.06 0.78 -0.67 0.00 0.00 178.83 178.96 1rch h GLY 77 N -0.77 0.66 0.05 3.46 0.00 -0.62 0.19 103.07 106.04 1rch h GLY 77 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1rch h GLY 77 CO 0.00 -0.26 -0.02 -2.22 0.00 0.00 0.00 176.54 174.04 1rch h ILE 78 N 0.06 0.00 -0.74 2.60 1.08 0.62 0.11 117.51 121.25 1rch h ILE 78 Ca 0.36 -0.06 -0.49 0.00 -0.39 0.00 0.00 64.86 64.28 1rch h ILE 78 Cb 0.59 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.13 1rch h ILE 78 CO -0.65 0.00 0.64 0.35 -0.69 0.00 0.00 178.15 177.80 1rch n THR 79 N -2.34 3.16 0.04 -0.27 -2.24 -0.82 -2.90 114.28 108.91 1rch n THR 79 Ca -0.01 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.55 1rch n THR 79 Cb 0.02 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1rch n THR 79 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1rch n GLN 80 N -0.31 0.00 0.03 -0.78 0.00 0.52 -4.87 117.38 111.97 1rch n GLN 80 Ca 0.46 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 57.24 1rch n GLN 80 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.77 1rch n GLN 80 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1rch h TRP 81 N 0.00 0.53 0.07 3.69 6.55 -0.81 -3.18 115.95 122.80 1rch h TRP 81 Ca 0.00 -0.39 -0.24 0.00 0.95 0.00 0.00 58.89 59.21 1rch h TRP 81 Cb 0.00 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 1rch h TRP 81 CO 0.00 1.63 -1.10 0.82 -1.05 0.00 0.00 178.44 178.75 1rch h ILE 82 N -0.12 1.54 -0.68 1.49 2.04 -0.68 0.66 117.51 121.76 1rch h ILE 82 Ca -0.34 -3.01 0.01 0.00 1.00 0.00 0.00 64.86 62.53 1rch h ILE 82 Cb 1.91 2.79 -0.04 0.00 -0.74 0.00 0.00 36.82 40.75 1rch h ILE 82 CO 0.10 0.87 0.45 -0.74 0.00 0.00 0.00 178.15 178.83 1rch h HIS 83 N 0.08 0.84 0.02 1.37 2.76 -1.66 0.33 115.15 118.88 1rch h HIS 83 Ca -0.09 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 57.84 1rch h HIS 83 Cb 1.81 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.46 1rch h HIS 83 CO 0.04 0.51 -1.42 0.09 -1.30 0.00 0.00 177.93 175.85 1rch n ASN 84 N -4.44 1.91 0.42 3.26 3.02 -1.16 -3.38 115.26 114.89 1rch n ASN 84 Ca 0.08 0.38 -0.19 0.00 -0.03 0.00 0.00 54.58 54.81 1rch n ASN 84 Cb 0.06 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.19 1rch n ASN 84 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1rch h TRP 85 N -0.80 -1.29 -0.10 3.10 6.55 0.40 0.05 115.95 123.87 1rch h TRP 85 Ca -0.37 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.50 1rch h TRP 85 Cb 1.45 0.46 -0.06 0.00 -0.86 0.00 0.00 29.16 30.15 1rch h TRP 85 CO 0.09 -0.72 -0.32 -0.22 -1.05 0.00 0.00 178.44 176.22 1rch h LYS 86 N -1.18 -0.40 -0.14 0.49 3.11 -0.52 0.70 116.57 118.62 1rch h LYS 86 Ca -0.10 0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.81 1rch h LYS 86 Cb 0.95 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 32.20 1rch h LYS 86 CO 0.10 -0.27 -0.41 -0.22 -2.81 0.00 0.00 179.45 175.84 1rch h LYS 87 N -0.42 -0.46 -0.85 1.90 3.64 -1.54 0.64 116.57 119.48 1rch h LYS 87 Ca 0.09 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.73 1rch h LYS 87 Cb 0.55 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1rch h LYS 87 CO -0.33 -0.31 0.60 -0.09 -2.27 0.00 0.00 179.45 177.05 1rch h ARG 88 N -0.48 0.10 0.00 1.90 1.12 -0.30 -3.44 114.38 113.27 1rch h ARG 88 Ca 0.08 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1rch h ARG 88 Cb 0.62 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.56 1rch h ARG 88 CO -0.40 0.06 0.00 0.41 -3.11 0.00 0.00 179.97 176.93 1rch n GLY 89 N -1.65 0.95 3.54 2.80 0.00 0.22 -4.79 105.19 106.25 1rch n GLY 89 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1rch n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rch n TRP 90 N 0.00 -2.20 -3.77 1.61 7.02 0.22 -4.93 117.44 115.39 1rch n TRP 90 Ca 0.00 0.70 -0.10 0.00 -1.02 0.00 0.00 57.50 57.08 1rch n TRP 90 Cb 0.00 -3.50 -0.05 0.00 -2.42 0.00 0.00 31.31 25.34 1rch n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rch s LYS 91 N -5.04 1.24 0.21 -0.99 1.02 -1.22 -4.77 119.74 110.20 1rch s LYS 91 Ca 0.28 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 1rch s LYS 91 Cb -0.09 0.47 0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1rch s LYS 91 CO 0.84 -0.50 0.29 0.25 -0.92 0.00 0.00 175.35 175.31 1rch n THR 92 N -0.27 0.00 0.00 2.17 -2.24 -1.00 -4.63 114.28 108.32 1rch n THR 92 Ca -0.11 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.08 1rch n THR 92 Cb 0.63 -1.34 -0.08 0.00 -2.10 0.00 0.00 70.33 67.43 1rch n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rch h ALA 93 N -0.73 0.25 -0.98 6.98 0.00 -2.01 -3.16 119.26 119.62 1rch h ALA 93 Ca -0.10 -0.64 -0.55 0.00 0.00 0.00 0.00 54.91 53.62 1rch h ALA 93 Cb 0.34 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.84 1rch h ALA 93 CO 0.10 0.69 0.71 -0.40 0.00 0.00 0.00 179.25 180.34 1rch n ASP 94 N -3.90 4.87 -2.93 0.00 5.75 -1.26 -4.94 116.55 114.13 1rch n ASP 94 Ca -0.09 -3.63 -0.00 0.00 -0.01 0.00 0.00 54.79 51.07 1rch n ASP 94 Cb 0.80 -0.88 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1rch n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rch n LYS 95 N -1.04 -2.09 -3.76 0.11 5.02 -1.19 -5.04 118.16 110.17 1rch n LYS 95 Ca 0.59 1.91 -0.08 0.00 -2.02 0.00 0.00 58.31 58.71 1rch n LYS 95 Cb 1.37 -3.39 -0.02 0.00 -0.02 0.00 0.00 35.03 32.97 1rch n LYS 95 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rch s LYS 96 N -1.31 1.67 0.44 1.97 1.02 -1.26 -4.90 119.74 117.36 1rch s LYS 96 Ca -0.01 -0.87 -0.22 0.00 0.02 0.00 0.00 55.97 54.89 1rch s LYS 96 Cb 0.00 0.60 -0.09 0.00 -0.52 0.00 0.00 37.83 37.83 1rch s LYS 96 CO 0.43 -0.76 1.05 -1.25 -0.92 0.00 0.00 175.35 173.90 1rch s PRO 97 N -3.87 4.00 0.50 -1.68 0.04 -1.26 -2.36 135.00 130.36 1rch s PRO 97 Ca 0.09 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 1rch s PRO 97 Cb -0.05 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1rch s PRO 97 CO 0.03 -0.27 1.01 0.08 0.04 0.00 0.00 177.00 177.88 1rch s VAL 98 N -1.79 4.09 -0.02 -0.36 1.01 -1.26 -4.85 120.40 117.21 1rch s VAL 98 Ca 0.62 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 1rch s VAL 98 Cb -0.20 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1rch s VAL 98 CO 0.24 -0.39 1.09 -0.75 0.00 0.00 0.00 175.10 175.29 1rch s LYS 99 N -3.53 4.45 -1.21 2.72 2.47 -1.26 -2.99 119.74 120.39 1rch s LYS 99 Ca 0.64 1.55 -0.06 0.00 -1.56 0.00 0.00 55.97 56.53 1rch s LYS 99 Cb -0.13 -3.48 0.01 0.00 -1.46 0.00 0.00 37.83 32.77 1rch s LYS 99 CO 0.23 -0.25 1.05 -1.71 0.16 0.00 0.00 175.35 174.83 1rch n ASN 100 N 4.47 -5.03 -0.05 1.43 5.15 -1.26 -4.89 115.26 115.08 1rch n ASN 100 Ca 0.08 -0.51 -0.04 0.00 -0.60 0.00 0.00 54.58 53.51 1rch n ASN 100 Cb 0.48 -4.69 0.19 0.00 -0.53 0.00 0.00 39.78 35.23 1rch n ASN 100 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1rch h VAL 101 N -2.31 1.25 0.24 3.44 3.04 -1.93 -1.04 116.25 118.93 1rch h VAL 101 Ca -0.53 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.07 1rch h VAL 101 Cb 1.33 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1rch h VAL 101 CO 0.50 0.37 -0.20 -2.24 -1.01 0.00 0.00 177.57 174.99 1rch h ASP 102 N 0.59 -0.52 -0.13 3.17 2.03 -1.90 0.72 116.42 120.38 1rch h ASP 102 Ca 0.11 0.04 -0.15 0.00 -0.73 0.00 0.00 57.03 56.30 1rch h ASP 102 Cb 0.54 0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1rch h ASP 102 CO 0.03 -0.30 -0.42 -0.07 -1.03 0.00 0.00 179.24 177.45 1rch h LEU 103 N -0.45 0.72 0.44 0.15 3.38 -1.93 -2.10 115.31 115.52 1rch h LEU 103 Ca -0.01 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1rch h LEU 103 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rch h LEU 103 CO -0.02 1.05 -0.21 -0.50 0.09 0.00 0.00 178.44 178.84 1rch h TRP 104 N 0.55 -0.55 -0.63 1.13 -0.00 -0.82 -2.07 115.95 113.55 1rch h TRP 104 Ca 0.04 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.03 1rch h TRP 104 Cb 0.96 0.18 -0.09 0.00 -0.00 0.00 0.00 29.16 30.21 1rch h TRP 104 CO 0.05 -0.34 0.17 1.96 -0.00 0.00 0.00 178.44 180.27 1rch h GLN 105 N -0.60 0.30 -0.75 0.49 4.20 0.61 0.32 115.11 119.68 1rch h GLN 105 Ca -0.06 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.74 1rch h GLN 105 Cb 0.46 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 1rch h GLN 105 CO 0.10 0.20 0.37 -0.09 -0.67 0.00 0.00 178.83 178.74 1rch h ARG 106 N 0.31 0.59 0.10 1.46 2.43 -1.14 0.79 114.38 118.92 1rch h ARG 106 Ca 0.33 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1rch h ARG 106 Cb 0.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1rch h ARG 106 CO -0.39 0.39 -0.05 1.25 -1.51 0.00 0.00 179.97 179.66 1rch h LEU 107 N 0.61 -0.11 -0.65 3.80 5.85 -0.05 -0.60 115.31 124.15 1rch h LEU 107 Ca 0.38 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.24 1rch h LEU 107 Cb 0.44 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 1rch h LEU 107 CO -0.30 -0.06 0.03 -0.78 -0.34 0.00 0.00 178.44 176.99 1rch h ASP 108 N -0.17 -0.24 -0.50 1.25 3.58 -0.32 1.15 116.42 121.17 1rch h ASP 108 Ca -0.01 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1rch h ASP 108 Cb 0.10 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1rch h ASP 108 CO 0.02 -0.11 0.20 0.00 -2.88 0.00 0.00 179.24 176.47 1rch h ALA 109 N 1.59 1.32 -0.14 -0.78 0.00 0.51 -1.69 119.26 120.06 1rch h ALA 109 Ca 0.35 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1rch h ALA 109 Cb 0.57 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rch h ALA 109 CO -0.54 0.50 -0.59 0.00 0.00 0.00 0.00 179.25 178.62 1rch h ALA 110 N 1.43 0.26 -0.17 0.00 0.00 0.20 -2.92 119.26 118.06 1rch h ALA 110 Ca 0.19 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1rch h ALA 110 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rch h ALA 110 CO -0.01 0.51 0.12 -0.07 0.00 0.00 0.00 179.25 179.79 1rch h LEU 111 N 0.32 0.01 -4.60 0.00 3.38 0.14 -2.99 115.31 111.57 1rch h LEU 111 Ca -0.03 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 1rch h LEU 111 Cb 1.22 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 1rch h LEU 111 CO 0.12 0.01 1.41 0.61 0.09 0.00 0.00 178.44 180.68 1rch n GLY 112 N -1.57 3.88 2.02 0.83 0.00 -0.68 -3.57 105.19 106.10 1rch n GLY 112 Ca 0.01 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1rch n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rch n GLN 113 N 2.48 0.00 -4.19 1.61 1.13 -1.13 -5.01 117.38 112.28 1rch n GLN 113 Ca 0.58 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 55.36 1rch n GLN 113 Cb 0.56 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.87 1rch n GLN 113 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1rch s HIS 114 N -2.00 2.00 -0.47 1.08 -3.43 -1.23 -4.93 115.29 106.30 1rch s HIS 114 Ca 0.00 -0.79 -0.29 0.00 -0.80 0.00 0.00 55.06 53.18 1rch s HIS 114 Cb 0.00 -1.85 0.03 0.00 -1.43 0.00 0.00 32.58 29.33 1rch s HIS 114 CO 0.00 -0.09 1.15 -0.65 -2.00 0.00 0.00 174.74 173.15 1rch s GLN 115 N -4.06 3.74 -0.06 -0.38 -0.21 -1.26 -4.88 119.66 112.55 1rch s GLN 115 Ca 0.29 0.61 -0.22 0.00 0.02 0.00 0.00 55.36 56.06 1rch s GLN 115 Cb 0.01 -3.90 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 1rch s GLN 115 CO 0.17 -1.36 0.66 0.42 -2.12 0.00 0.00 175.29 173.05 1rch s ILE 116 N 4.44 5.03 -0.35 1.08 -1.09 -1.25 -1.87 121.20 127.19 1rch s ILE 116 Ca 0.48 1.35 0.03 0.00 -2.23 0.00 0.00 60.65 60.29 1rch s ILE 116 Cb -0.08 -4.00 0.10 0.00 -1.58 0.00 0.00 42.46 36.91 1rch s ILE 116 CO 0.31 0.29 0.08 -0.75 -1.23 0.00 0.00 174.94 173.65 1rch s LYS 117 N 0.58 1.37 -0.53 2.79 2.47 -0.88 -5.00 119.74 120.54 1rch s LYS 117 Ca 0.35 -1.79 -0.29 0.00 -1.56 0.00 0.00 55.97 52.68 1rch s LYS 117 Cb -0.18 -2.95 0.03 0.00 -1.46 0.00 0.00 37.83 33.27 1rch s LYS 117 CO 0.17 -0.97 1.19 -1.58 0.16 0.00 0.00 175.35 174.32 1rch s TRP 118 N 0.91 2.66 -0.92 4.03 0.52 -1.26 -1.08 118.94 123.81 1rch s TRP 118 Ca 0.12 0.55 -0.15 0.00 0.02 0.00 0.00 56.10 56.64 1rch s TRP 118 Cb -0.19 -4.47 0.20 0.00 -1.15 0.00 0.00 33.47 27.85 1rch s TRP 118 CO -0.10 -1.50 0.95 -2.00 0.02 0.00 0.00 176.95 174.32 1rch s GLU 119 N 4.78 3.71 -0.10 4.98 2.12 0.93 -5.01 118.70 130.12 1rch s GLU 119 Ca 0.46 -2.37 -0.30 0.00 0.36 0.00 0.00 54.97 53.13 1rch s GLU 119 Cb -0.08 -4.62 -0.01 0.00 0.26 0.00 0.00 34.13 29.68 1rch s GLU 119 CO 0.29 -1.45 1.01 -1.58 -0.54 0.00 0.00 175.26 172.99 1rch s TRP 120 N 0.77 3.51 -0.04 5.30 0.52 -1.26 -2.52 118.94 125.23 1rch s TRP 120 Ca 0.25 1.59 0.05 0.00 0.02 0.00 0.00 56.10 58.00 1rch s TRP 120 Cb -0.08 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.04 1rch s TRP 120 CO -0.08 -0.24 -0.17 0.14 0.02 0.00 0.00 176.95 176.61 1rch s VAL 121 N 2.01 1.40 0.88 4.03 -7.23 -1.02 -5.02 120.40 115.45 1rch s VAL 121 Ca 0.49 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 1rch s VAL 121 Cb -0.18 -1.19 0.18 0.00 0.56 0.00 0.00 36.38 35.74 1rch s VAL 121 CO 0.18 0.40 1.20 -0.54 -0.31 0.00 0.00 175.10 176.04 1rch s LYS 122 N -0.07 0.95 -0.69 4.82 -0.14 -1.26 -4.51 119.74 118.85 1rch s LYS 122 Ca -0.01 -0.76 -0.05 0.00 -1.36 0.00 0.00 55.97 53.80 1rch s LYS 122 Cb -0.10 -2.04 0.05 0.00 -1.68 0.00 0.00 37.83 34.06 1rch s LYS 122 CO 0.01 -2.09 2.73 0.41 -0.76 0.00 0.00 175.35 175.65 1rch n GLY 123 N -3.42 4.49 2.04 -3.33 0.00 -1.26 -3.79 105.19 99.91 1rch n GLY 123 Ca 0.16 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1rch n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1rch n HIS 124 N 1.28 -2.08 -0.84 1.61 1.44 -1.26 -4.88 115.22 110.49 1rch n HIS 124 Ca 0.53 0.31 -0.21 0.00 -2.01 0.00 0.00 57.72 56.33 1rch n HIS 124 Cb 0.49 1.06 0.09 0.00 0.12 0.00 0.00 29.99 31.75 1rch n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rch n ALA 125 N -2.76 5.20 -1.79 1.59 0.00 -1.25 -4.96 120.51 116.55 1rch n ALA 125 Ca 0.00 -2.24 -0.34 0.00 0.00 0.00 0.00 53.44 50.85 1rch n ALA 125 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 1rch n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rch s GLY 126 N -0.64 2.56 0.46 0.00 0.00 -1.25 -4.83 107.32 103.64 1rch s GLY 126 Ca 0.43 0.70 0.05 0.00 0.00 0.00 0.00 44.72 45.90 1rch s GLY 126 CO 0.03 1.03 0.64 0.30 0.00 0.00 0.00 173.10 175.10 1rch s HIS 127 N -1.89 2.85 0.19 1.90 3.76 -1.26 -5.02 115.29 115.82 1rch s HIS 127 Ca 0.69 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1rch s HIS 127 Cb -0.19 -2.50 0.09 0.00 1.11 0.00 0.00 32.58 31.09 1rch s HIS 127 CO 0.23 -0.57 1.45 -1.00 -0.85 0.00 0.00 174.74 174.00 1rch h PRO 128 N 0.44 0.13 -0.51 8.40 0.13 -2.00 -3.18 132.00 135.41 1rch h PRO 128 Ca -0.41 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1rch h PRO 128 Cb 1.28 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1rch h PRO 128 CO 0.48 0.85 0.24 0.93 -0.23 0.00 0.00 178.00 180.28 1rch h GLU 129 N 0.08 0.45 -0.51 0.86 3.07 -1.99 -0.18 114.58 116.37 1rch h GLU 129 Ca -0.02 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.86 1rch h GLU 129 Cb 1.38 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 1rch h GLU 129 CO 0.11 0.30 0.25 -0.91 -1.40 0.00 0.00 179.01 177.36 1rch h ASN 130 N 0.47 0.34 -0.83 1.42 -0.26 -1.97 0.26 115.58 115.02 1rch h ASN 130 Ca 0.23 0.03 0.07 0.00 -0.56 0.00 0.00 56.30 56.08 1rch h ASN 130 Cb 0.17 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.35 1rch h ASN 130 CO -0.18 0.24 0.54 -0.33 -1.06 0.00 0.00 177.43 176.63 1rch h GLU 131 N 0.48 0.86 -0.18 0.81 5.08 -1.27 0.35 114.58 120.71 1rch h GLU 131 Ca 0.23 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1rch h GLU 131 Cb 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1rch h GLU 131 CO -0.17 0.57 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.00 1rch h ARG 132 N 0.88 0.36 -0.24 2.33 2.43 0.67 -1.44 114.38 119.37 1rch h ARG 132 Ca 0.36 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1rch h ARG 132 Cb 0.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1rch h ARG 132 CO -0.13 0.64 0.13 0.00 -1.51 0.00 0.00 179.97 179.10 1rch h ASP 134 N 0.28 1.14 -0.09 0.00 1.82 -1.02 -0.08 116.42 118.46 1rch h ASP 134 Ca 0.08 -0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1rch h ASP 134 Cb 0.07 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.77 1rch h ASP 134 CO -0.01 0.82 -0.10 -0.08 -1.61 0.00 0.00 179.24 178.26 1rch h GLU 135 N 1.34 -0.12 -0.86 0.28 4.81 -0.52 0.17 114.58 119.68 1rch h GLU 135 Ca 0.37 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1rch h GLU 135 Cb -0.14 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1rch h GLU 135 CO -0.09 -0.08 0.56 -0.07 -0.73 0.00 0.00 179.01 178.60 1rch h LEU 136 N -0.12 0.94 0.39 1.64 3.38 -0.55 -0.69 115.31 120.29 1rch h LEU 136 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rch h LEU 136 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1rch h LEU 136 CO -0.17 0.66 -0.40 0.00 0.09 0.00 0.00 178.44 178.62 1rch h ALA 137 N 1.35 -0.86 -0.89 1.53 0.00 -0.04 -0.26 119.26 120.09 1rch h ALA 137 Ca 0.34 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1rch h ALA 137 Cb -0.03 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1rch h ALA 137 CO -0.10 -1.02 0.50 -0.09 0.00 0.00 0.00 179.25 178.54 1rch h ARG 138 N -0.81 0.73 -0.64 0.00 2.43 -0.31 0.72 114.38 116.49 1rch h ARG 138 Ca -0.03 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1rch h ARG 138 Cb 0.73 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1rch h ARG 138 CO -0.07 0.48 0.43 0.00 -1.51 0.00 0.00 179.97 179.30 1rch h ALA 139 N 1.54 1.58 0.15 2.80 0.00 -0.48 -1.37 119.26 123.48 1rch h ALA 139 Ca 0.47 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 55.04 1rch h ALA 139 Cb 0.58 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1rch h ALA 139 CO -0.32 0.38 -1.29 0.00 0.00 0.00 0.00 179.25 178.02 1rch h ALA 140 N 1.61 -0.01 -0.90 0.00 0.00 0.14 -3.22 119.26 116.87 1rch h ALA 140 Ca 0.24 -0.81 0.12 0.00 0.00 0.00 0.00 54.91 54.47 1rch h ALA 140 Cb -0.04 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1rch h ALA 140 CO -0.06 0.73 0.58 0.00 0.00 0.00 0.00 179.25 180.50 1rch h ALA 141 N 0.32 1.71 -0.79 0.00 0.00 1.00 0.23 119.26 121.73 1rch h ALA 141 Ca -0.19 0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.27 1rch h ALA 141 Cb 1.97 -0.17 -0.24 0.00 0.00 0.00 0.00 17.79 19.35 1rch h ALA 141 CO 0.24 0.08 0.57 -1.33 0.00 0.00 0.00 179.25 178.81 1rch n MET 142 N -4.55 2.09 -2.75 0.00 2.81 -0.59 -4.43 117.12 109.70 1rch n MET 142 Ca 0.16 -2.44 -0.07 0.00 -1.81 0.00 0.00 57.70 53.55 1rch n MET 142 Cb 0.38 -1.96 0.04 0.00 -0.71 0.00 0.00 33.22 30.97 1rch n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1rch n ASN 143 N -0.68 -3.02 -4.69 7.83 2.85 0.80 -5.02 115.26 113.33 1rch n ASN 143 Ca 0.48 -3.17 -0.42 0.00 -0.11 0.00 0.00 54.58 51.36 1rch n ASN 143 Cb 1.18 1.79 -0.03 0.00 1.24 0.00 0.00 39.78 43.97 1rch n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1rch s PRO 144 N 0.74 4.35 -0.26 1.20 0.04 -1.25 -4.23 135.00 135.59 1rch s PRO 144 Ca 0.31 1.70 0.18 0.00 0.04 0.00 0.00 61.00 63.23 1rch s PRO 144 Cb 0.17 -3.55 0.44 0.00 0.04 0.00 0.00 34.50 31.59 1rch s PRO 144 CO -0.19 -0.45 1.27 0.25 0.04 0.00 0.00 177.00 177.92 1rch n THR 145 N 4.59 0.62 -2.94 1.26 -2.24 0.37 -4.97 114.28 110.97 1rch n THR 145 Ca 0.11 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.01 1rch n THR 145 Cb 0.46 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1rch n THR 145 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rch n LEU 146 N -0.85 0.00 -3.75 3.22 4.77 0.22 -4.75 117.00 115.86 1rch n LEU 146 Ca -0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1rch n LEU 146 Cb 0.85 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 1rch n LEU 146 CO -0.04 0.00 0.02 -0.70 -1.33 0.00 0.00 177.39 175.35 1rch s GLU 147 N -1.63 0.46 -0.68 3.23 2.12 -1.26 -4.15 118.70 116.79 1rch s GLU 147 Ca 0.00 0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.43 1rch s GLU 147 Cb 0.00 0.22 0.03 0.00 0.26 0.00 0.00 34.13 34.64 1rch s GLU 147 CO 0.00 -0.07 1.29 0.34 -0.54 0.00 0.00 175.26 176.27 1rch s ASP 148 N -0.08 6.20 -0.18 -1.70 2.15 -1.26 -4.81 116.67 116.99 1rch s ASP 148 Ca -0.02 -0.22 -0.05 0.00 0.43 0.00 0.00 52.55 52.69 1rch s ASP 148 Cb -0.03 -2.56 -0.22 0.00 -0.30 0.00 0.00 42.92 39.82 1rch s ASP 148 CO 0.01 -1.75 0.10 0.41 -0.17 0.00 0.00 175.17 173.77 1rch n THR 149 N 6.52 1.65 -1.50 1.71 -1.04 -1.26 -4.40 114.28 115.97 1rch n THR 149 Ca 0.06 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.05 61.21 1rch n THR 149 Cb 0.49 -1.64 -0.05 0.00 -1.82 0.00 0.00 70.33 67.31 1rch n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rch n GLY 150 N 2.04 4.39 2.02 3.41 0.00 -1.26 -4.46 105.19 111.32 1rch n GLY 150 Ca -0.38 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.49 1rch n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rch n TYR 151 N 0.82 2.70 -3.67 1.61 9.36 -1.26 -4.98 117.16 121.73 1rch n TYR 151 Ca 0.49 -2.43 -0.10 0.00 3.32 0.00 0.00 57.90 59.17 1rch n TYR 151 Cb 0.54 -0.83 -0.04 0.00 -0.63 0.00 0.00 39.34 38.38 1rch n TYR 151 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1rch s GLN 152 N -3.62 1.28 -0.42 2.98 -0.21 -1.26 -5.10 119.66 113.31 1rch s GLN 152 Ca 0.56 -0.77 0.08 0.00 0.02 0.00 0.00 55.36 55.25 1rch s GLN 152 Cb 0.45 0.52 0.28 0.00 1.00 0.00 0.00 33.01 35.25 1rch s GLN 152 CO 0.02 -0.54 0.73 0.28 -2.12 0.00 0.00 175.29 173.66 1rch n VAL 153 N -0.31 -0.33 -0.20 1.09 0.31 -1.26 -4.91 118.33 112.72 1rch n VAL 153 Ca -0.13 -3.19 -0.09 0.00 -0.01 0.00 0.00 64.34 60.92 1rch n VAL 153 Cb 0.63 -0.33 0.02 0.00 -0.91 0.00 0.00 33.84 33.24 1rch n VAL 153 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1rch h GLU 154 N 3.69 0.99 0.00 5.55 5.08 -2.01 -3.52 114.58 124.36 1rch h GLU 154 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1rch h GLU 154 Cb 0.96 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1rch h GLU 154 CO 0.40 0.99 0.00 0.28 -1.00 0.00 0.00 179.01 179.67