#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 4.50 -1.44 -0.89 0.20 -1.26 -4.76 118.68 115.04 1rch s LEU 2 Ca 0.00 1.49 -0.10 0.00 0.69 0.00 0.00 54.13 56.21 1rch s LEU 2 Cb 0.00 -3.22 0.05 0.00 -0.43 0.00 0.00 46.19 42.59 1rch s LEU 2 CO 0.00 0.10 2.40 0.29 -0.29 0.00 0.00 176.35 178.85 1rch n LYS 3 N 2.32 3.69 -3.61 1.98 4.76 -1.26 -4.60 118.16 121.44 1rch n LYS 3 Ca -0.04 -2.90 0.00 0.00 -2.87 0.00 0.00 58.31 52.50 1rch n LYS 3 Cb 0.50 -2.91 -0.06 0.00 -1.84 0.00 0.00 35.03 30.72 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 1.23 0.21 0.01 1.97 2.00 -1.26 -4.96 119.66 118.86 1rch s GLN 4 Ca 0.54 0.37 -0.28 0.00 -2.00 0.00 0.00 55.36 53.98 1rch s GLN 4 Cb 0.15 0.06 -0.04 0.00 0.80 0.00 0.00 33.01 33.99 1rch s GLN 4 CO -0.06 -0.05 0.91 0.08 -0.50 0.00 0.00 175.29 175.68 1rch s VAL 5 N 1.31 4.81 -0.40 1.34 1.01 -0.91 -4.76 120.40 122.80 1rch s VAL 5 Ca -0.08 1.93 -0.03 0.00 0.00 0.00 0.00 61.98 63.79 1rch s VAL 5 Cb -0.03 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.19 1rch s VAL 5 CO -0.13 0.22 0.19 -1.61 0.00 0.00 0.00 175.10 173.78 1rch s GLU 6 N 0.69 2.12 -0.25 2.72 2.02 -1.07 -1.29 118.70 123.63 1rch s GLU 6 Ca 0.48 -1.72 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 1rch s GLU 6 Cb -0.21 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1rch s GLU 6 CO 0.26 -1.02 0.10 0.42 0.02 0.00 0.00 175.26 175.05 1rch s ILE 7 N 1.19 4.65 -0.24 -1.63 1.01 -1.09 -2.41 121.20 122.67 1rch s ILE 7 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1rch s ILE 7 Cb -0.23 -3.18 0.07 0.00 0.01 0.00 0.00 42.46 39.14 1rch s ILE 7 CO -0.03 0.33 0.01 -0.36 0.00 0.00 0.00 174.94 174.89 1rch s PHE 8 N 1.50 1.90 0.27 3.97 0.08 -0.74 -0.17 117.98 124.79 1rch s PHE 8 Ca 0.06 -1.55 -0.16 0.00 0.12 0.00 0.00 56.93 55.41 1rch s PHE 8 Cb -0.15 -1.52 -0.08 0.00 -0.57 0.00 0.00 43.02 40.70 1rch s PHE 8 CO 0.05 -0.76 0.69 0.95 -0.10 0.00 0.00 175.22 176.06 1rch s THR 9 N 1.56 4.70 -0.32 0.64 -4.23 -1.08 -2.20 115.64 114.71 1rch s THR 9 Ca 0.00 0.97 0.06 0.00 -1.18 0.00 0.00 61.69 61.54 1rch s THR 9 Cb -0.18 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.16 1rch s THR 9 CO -0.11 -0.02 0.61 -0.62 -0.54 0.00 0.00 174.62 173.93 1rch s ASP 10 N -2.06 -1.60 0.36 3.99 -1.08 -0.50 -4.85 116.67 110.93 1rch s ASP 10 Ca 0.49 -0.03 -0.28 0.00 -0.52 0.00 0.00 52.55 52.20 1rch s ASP 10 Cb -0.13 2.01 -0.10 0.00 -1.46 0.00 0.00 42.92 43.24 1rch s ASP 10 CO 0.19 -0.27 1.37 -0.83 0.52 0.00 0.00 175.17 176.15 1rch s GLY 11 N 2.61 2.97 -0.44 2.66 0.00 -1.26 -2.46 107.32 111.39 1rch s GLY 11 Ca 0.12 1.37 0.04 0.00 0.00 0.00 0.00 44.72 46.24 1rch s GLY 11 CO -0.22 2.02 1.65 -1.26 0.00 0.00 0.00 173.10 175.29 1rch n SER 12 N 0.59 5.16 -4.59 1.64 2.88 -0.23 -4.90 113.62 114.18 1rch n SER 12 Ca 0.01 -3.76 -0.43 0.00 -1.33 0.00 0.00 58.87 53.36 1rch n SER 12 Cb 0.41 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1rch n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rch h LEU 14 N 10.55 0.69 0.00 0.00 3.38 -1.86 -3.46 115.31 124.61 1rch h LEU 14 Ca -0.23 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.81 1rch h LEU 14 Cb 1.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rch h LEU 14 CO 1.04 1.68 0.00 0.61 0.09 0.00 0.00 178.44 181.86 1rch n GLY 15 N 1.76 1.86 2.67 0.83 0.00 -1.26 -4.99 105.19 106.06 1rch n GLY 15 Ca -0.20 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.52 -4.07 1.61 5.15 -1.26 -4.48 115.26 110.69 1rch n ASN 16 Ca 0.00 -1.31 -0.30 0.00 -0.60 0.00 0.00 54.58 52.38 1rch n ASN 16 Cb 0.00 0.79 0.20 0.00 -0.53 0.00 0.00 39.78 40.24 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 0.72 -0.11 -0.03 1.20 0.04 -1.26 -5.12 135.00 130.44 1rch s PRO 17 Ca 0.25 -0.18 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 1rch s PRO 17 Cb 0.15 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 33.07 1rch s PRO 17 CO -0.10 -2.95 1.32 0.20 0.04 0.00 0.00 177.00 175.51 1rch s GLY 18 N -4.37 -0.31 -0.55 0.56 0.00 -1.16 -4.96 107.32 96.53 1rch s GLY 18 Ca 0.71 0.46 -0.28 0.00 0.00 0.00 0.00 44.72 45.62 1rch s GLY 18 CO 0.54 2.57 1.50 2.56 0.00 0.00 0.00 173.10 180.27 1rch s PRO 19 N -2.18 3.22 0.00 2.90 0.04 -1.23 -0.65 135.00 137.10 1rch s PRO 19 Ca 0.21 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1rch s PRO 19 Cb 0.03 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1rch s PRO 19 CO -0.03 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1rch n GLY 20 N 5.33 4.40 0.00 0.56 0.00 -1.22 -4.35 105.19 109.92 1rch n GLY 20 Ca 0.14 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.94 3.08 -0.02 0.00 -0.87 0.70 105.19 110.02 1rch n GLY 21 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.02 -0.31 -0.10 1.61 -0.85 -0.87 -1.06 117.35 114.75 1rch s TYR 22 Ca 0.00 0.74 0.01 0.00 -0.52 0.00 0.00 57.07 57.30 1rch s TYR 22 Cb 0.00 0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.42 1rch s TYR 22 CO 0.00 -0.20 -0.10 0.20 -1.52 0.00 0.00 175.55 173.93 1rch s GLY 23 N 0.91 0.82 -0.04 5.49 0.00 -1.03 -2.58 107.32 110.89 1rch s GLY 23 Ca -0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 1rch s GLY 23 CO -0.06 0.54 0.02 0.00 0.00 0.00 0.00 173.10 173.60 1rch s ALA 24 N 1.30 0.40 -0.28 3.20 0.00 -1.02 -1.41 121.76 123.96 1rch s ALA 24 Ca -0.02 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1rch s ALA 24 Cb -0.14 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1rch s ALA 24 CO -0.04 -0.31 1.03 0.42 0.00 0.00 0.00 175.76 176.87 1rch s ILE 25 N 1.63 4.61 -0.43 0.00 1.01 -0.93 -2.59 121.20 124.50 1rch s ILE 25 Ca -0.01 1.82 0.03 0.00 0.00 0.00 0.00 60.65 62.49 1rch s ILE 25 Cb -0.13 -4.35 0.12 0.00 0.01 0.00 0.00 42.46 38.11 1rch s ILE 25 CO -0.03 -0.33 0.17 -0.22 0.00 0.00 0.00 174.94 174.53 1rch s LEU 26 N 3.40 4.06 -0.12 2.97 0.20 -0.91 -1.79 118.68 126.49 1rch s LEU 26 Ca 0.44 -2.54 -0.29 0.00 0.69 0.00 0.00 54.13 52.42 1rch s LEU 26 Cb -0.14 -1.48 -0.01 0.00 -0.43 0.00 0.00 46.19 44.13 1rch s LEU 26 CO 0.11 -0.30 1.06 -0.60 -0.29 0.00 0.00 176.35 176.32 1rch s ARG 27 N 0.39 4.37 0.00 1.98 3.52 -1.01 -1.85 118.95 126.35 1rch s ARG 27 Ca 0.14 1.45 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 1rch s ARG 27 Cb -0.23 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1rch s ARG 27 CO -0.05 -0.41 0.00 0.98 -0.81 0.00 0.00 175.30 175.01 1rch n TYR 28 N 5.33 -0.39 -1.54 5.12 9.36 0.07 -2.60 117.16 132.50 1rch n TYR 28 Ca 0.10 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.01 1rch n TYR 28 Cb 0.48 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.12 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 -0.13 0.72 -3.16 2.98 5.12 -1.26 -1.78 116.66 119.14 1rch n ARG 29 Ca 0.00 -0.19 -0.20 0.00 -1.93 0.00 0.00 57.85 55.52 1rch n ARG 29 Cb 0.00 -3.07 -0.00 0.00 -1.16 0.00 0.00 32.46 28.22 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 6.23 -0.49 3.46 -0.13 0.00 -1.26 -4.89 105.19 108.11 1rch n GLY 30 Ca 0.45 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 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 -5.79 0.55 -0.48 1.61 0.52 -0.74 -4.87 118.95 109.75 1rch s ARG 31 Ca 0.31 1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 56.50 1rch s ARG 31 Cb -0.16 0.70 0.02 0.00 0.52 0.00 0.00 34.95 36.02 1rch s ARG 31 CO 0.38 -0.33 1.33 -1.21 0.02 0.00 0.00 175.30 175.49 1rch s GLU 32 N 2.85 3.53 -0.33 3.54 2.02 -1.26 -0.75 118.70 128.30 1rch s GLU 32 Ca 0.02 0.66 -0.09 0.00 0.02 0.00 0.00 54.97 55.58 1rch s GLU 32 Cb -0.13 -4.02 0.01 0.00 0.10 0.00 0.00 34.13 30.09 1rch s GLU 32 CO -0.19 -1.63 0.15 0.15 0.02 0.00 0.00 175.26 173.76 1rch s LYS 33 N 4.98 3.07 -0.08 1.61 1.02 -0.77 -4.93 119.74 124.63 1rch s LYS 33 Ca 0.54 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 1rch s LYS 33 Cb -0.11 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 1rch s LYS 33 CO 0.30 -0.53 0.12 0.99 -0.92 0.00 0.00 175.35 175.31 1rch s THR 34 N 1.56 5.24 -0.40 2.17 2.01 -1.26 -2.14 115.64 122.81 1rch s THR 34 Ca 0.03 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1rch s THR 34 Cb -0.18 -3.32 0.12 0.00 0.01 0.00 0.00 72.50 69.13 1rch s THR 34 CO 0.05 0.53 0.17 -0.36 -0.69 0.00 0.00 174.62 174.32 1rch s PHE 35 N -1.08 2.54 -0.51 4.92 0.08 -1.07 -4.98 117.98 117.88 1rch s PHE 35 Ca 0.18 -2.53 0.04 0.00 0.12 0.00 0.00 56.93 54.73 1rch s PHE 35 Cb -0.12 -2.26 0.16 0.00 -0.57 0.00 0.00 43.02 40.24 1rch s PHE 35 CO 0.08 -0.83 0.37 0.45 -0.10 0.00 0.00 175.22 175.18 1rch s SER 36 N 0.66 2.94 0.25 1.36 0.15 -1.26 -2.44 113.70 115.36 1rch s SER 36 Ca 0.14 -3.23 -0.07 0.00 0.70 0.00 0.00 55.95 53.49 1rch s SER 36 Cb -0.22 -0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 63.11 1rch s SER 36 CO -0.08 -0.16 0.54 0.00 1.20 0.00 0.00 173.24 174.74 1rch s ALA 37 N -0.36 3.60 0.22 5.45 0.00 -1.07 -4.51 121.76 125.09 1rch s ALA 37 Ca 0.27 -0.41 0.10 0.00 0.00 0.00 0.00 51.96 51.93 1rch s ALA 37 Cb -0.04 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1rch s ALA 37 CO -0.15 0.42 -0.14 0.20 0.00 0.00 0.00 175.76 176.09 1rch s GLY 38 N -2.68 1.75 0.24 0.00 0.00 -1.19 -2.05 107.32 103.39 1rch s GLY 38 Ca 0.46 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1rch s GLY 38 CO 0.25 -1.68 0.11 -0.19 0.00 0.00 0.00 173.10 171.58 1rch s TYR 39 N -1.99 1.44 -0.02 1.90 1.51 0.22 -3.88 117.35 116.53 1rch s TYR 39 Ca 0.26 -1.23 -0.02 0.00 -1.01 0.00 0.00 57.07 55.06 1rch s TYR 39 Cb -0.07 -0.81 -0.27 0.00 -0.11 0.00 0.00 41.96 40.70 1rch s TYR 39 CO 0.15 -0.42 0.77 1.79 -1.11 0.00 0.00 175.55 176.73 1rch h THR 40 N 2.45 1.05 -1.12 -0.71 1.35 -1.55 -3.24 112.91 111.14 1rch h THR 40 Ca -0.38 -2.72 0.13 0.00 -0.55 0.00 0.00 66.41 62.90 1rch h THR 40 Cb 1.25 2.69 -0.21 0.00 -1.73 0.00 0.00 68.15 70.15 1rch h THR 40 CO 0.59 0.80 -0.06 -0.60 -0.25 0.00 0.00 175.52 175.99 1rch s ARG 41 N -2.61 0.44 0.18 4.72 3.52 -1.26 -3.55 118.95 120.40 1rch s ARG 41 Ca -0.10 0.94 -0.23 0.00 -0.13 0.00 0.00 55.73 56.20 1rch s ARG 41 Cb 0.07 0.54 0.06 0.00 -1.56 0.00 0.00 34.95 34.06 1rch s ARG 41 CO 0.84 -0.34 0.67 -0.08 -0.81 0.00 0.00 175.30 175.59 1rch s THR 42 N 2.81 0.00 0.63 4.11 -1.32 0.17 -4.90 115.64 117.14 1rch s THR 42 Ca 0.06 -0.31 -0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1rch s THR 42 Cb -0.12 -1.33 0.07 0.00 -1.51 0.00 0.00 72.50 69.61 1rch s THR 42 CO -0.18 0.00 0.88 0.42 -2.21 0.00 0.00 174.62 173.53 1rch s THR 43 N -3.72 2.43 0.01 5.08 -4.23 -1.26 -2.96 115.64 110.98 1rch s THR 43 Ca 0.05 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.77 1rch s THR 43 Cb -0.02 -2.83 -0.27 0.00 1.34 0.00 0.00 72.50 70.72 1rch s THR 43 CO -0.06 0.00 1.05 -1.13 -0.54 0.00 0.00 174.62 173.94 1rch h ASN 44 N -0.21 0.62 0.19 3.99 -0.73 -1.88 -2.54 115.58 115.02 1rch h ASN 44 Ca -0.40 -0.82 0.00 0.00 1.87 0.00 0.00 56.30 56.95 1rch h ASN 44 Cb 1.29 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 1rch h ASN 44 CO 0.49 1.38 -0.18 0.78 -0.37 0.00 0.00 177.43 179.52 1rch h ASN 45 N -0.06 -0.47 -0.84 1.15 -0.26 -1.98 0.70 115.58 113.82 1rch h ASN 45 Ca -0.12 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.73 1rch h ASN 45 Cb 1.56 0.16 -0.06 0.00 -1.06 0.00 0.00 38.32 38.92 1rch h ASN 45 CO 0.16 -0.27 0.51 0.03 -1.06 0.00 0.00 177.43 176.80 1rch h ARG 46 N -0.39 0.88 -0.10 0.81 3.08 -1.97 -1.69 114.38 114.99 1rch h ARG 46 Ca -0.00 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 1rch h ARG 46 Cb 0.37 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1rch h ARG 46 CO -0.04 0.58 -0.70 0.52 -1.07 0.00 0.00 179.97 179.26 1rch h MET 47 N 0.90 0.46 -0.49 0.04 2.86 -0.99 -2.14 114.93 115.57 1rch h MET 47 Ca 0.38 -0.35 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1rch h MET 47 Cb 0.23 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 1rch h MET 47 CO -0.19 0.98 0.17 0.93 1.06 0.00 0.00 176.91 179.86 1rch h GLU 48 N 0.32 0.33 0.63 1.72 5.08 0.13 0.32 114.58 123.11 1rch h GLU 48 Ca -0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1rch h GLU 48 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rch h GLU 48 CO 0.12 0.22 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.94 1rch h LEU 49 N 0.34 -0.83 -1.18 1.33 3.38 -1.27 -2.17 115.31 114.90 1rch h LEU 49 Ca 0.24 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.53 1rch h LEU 49 Cb 0.25 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 1rch h LEU 49 CO -0.25 -0.56 0.64 -0.03 0.09 0.00 0.00 178.44 178.34 1rch h MET 50 N -0.90 0.41 0.92 1.13 4.05 -0.69 0.82 114.93 120.66 1rch h MET 50 Ca -0.08 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 1rch h MET 50 Cb 0.71 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1rch h MET 50 CO 0.12 0.27 -0.44 0.00 0.23 0.00 0.00 176.91 177.09 1rch h ALA 51 N 1.69 -1.23 -0.14 0.39 0.00 -0.01 0.14 119.26 120.10 1rch h ALA 51 Ca 0.66 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1rch h ALA 51 Cb 1.53 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1rch h ALA 51 CO -0.42 -1.16 -0.00 0.00 0.00 0.00 0.00 179.25 177.67 1rch h ALA 52 N -1.26 0.12 0.59 0.00 0.00 -0.39 -2.16 119.26 116.16 1rch h ALA 52 Ca -0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rch h ALA 52 Cb 0.95 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1rch h ALA 52 CO 0.21 -0.45 -0.40 0.82 0.00 0.00 0.00 179.25 179.42 1rch h ILE 53 N 0.04 0.19 -0.98 0.00 2.04 0.61 -1.45 117.51 117.96 1rch h ILE 53 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.10 1rch h ILE 53 Cb 0.08 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.25 1rch h ILE 53 CO -0.11 0.00 0.61 0.58 0.00 0.00 0.00 178.15 179.23 1rch h VAL 54 N -0.95 0.75 -0.37 1.67 2.07 -0.66 0.90 116.25 119.66 1rch h VAL 54 Ca -0.07 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1rch h VAL 54 Cb 0.79 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1rch h VAL 54 CO 0.05 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.84 1rch h ALA 55 N 1.61 0.39 -0.06 1.67 0.00 -0.68 0.04 119.26 122.23 1rch h ALA 55 Ca 0.54 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.35 1rch h ALA 55 Cb 0.86 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rch h ALA 55 CO -0.31 -0.33 -0.71 -0.07 0.00 0.00 0.00 179.25 177.83 1rch h LEU 56 N 0.19 0.37 -0.24 0.00 3.38 0.13 -2.84 115.31 116.30 1rch h LEU 56 Ca 0.18 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1rch h LEU 56 Cb 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1rch h LEU 56 CO -0.23 0.96 -0.05 -0.33 0.09 0.00 0.00 178.44 178.87 1rch h GLU 57 N 0.21 0.01 -0.97 1.13 5.08 0.10 -0.36 114.58 119.79 1rch h GLU 57 Ca -0.02 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1rch h GLU 57 Cb 1.26 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1rch h GLU 57 CO 0.11 0.01 0.61 0.00 -1.00 0.00 0.00 179.01 178.74 1rch h ALA 58 N 1.24 1.74 -2.65 3.43 0.00 -0.82 -3.38 119.26 118.83 1rch h ALA 58 Ca 0.12 0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.55 1rch h ALA 58 Cb 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1rch h ALA 58 CO -0.24 -0.05 0.61 -0.51 0.00 0.00 0.00 179.25 179.06 1rch s LEU 59 N -10.05 4.42 -0.34 0.00 1.43 -0.14 -4.95 118.68 109.05 1rch s LEU 59 Ca -0.11 2.29 0.16 0.00 -1.03 0.00 0.00 54.13 55.44 1rch s LEU 59 Cb 0.23 -3.60 0.43 0.00 0.03 0.00 0.00 46.19 43.28 1rch s LEU 59 CO 0.80 -0.47 0.92 0.29 0.23 0.00 0.00 176.35 178.12 1rch n LYS 60 N 2.78 1.10 -3.65 1.70 4.76 -1.26 -4.88 118.16 118.71 1rch n LYS 60 Ca 0.06 -3.18 0.01 0.00 -2.87 0.00 0.00 58.31 52.33 1rch n LYS 60 Cb 0.44 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1rch n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rch s GLU 61 N -2.72 0.42 -0.99 1.97 -1.05 -1.26 -5.04 118.70 110.04 1rch s GLU 61 Ca 0.30 -0.24 -0.24 0.00 -0.15 0.00 0.00 54.97 54.65 1rch s GLU 61 Cb 0.43 0.14 -0.14 0.00 -0.44 0.00 0.00 34.13 34.11 1rch s GLU 61 CO 0.00 -0.19 1.93 0.72 0.95 0.00 0.00 175.26 178.67 1rch n HIS 62 N -0.52 2.12 -0.76 4.83 8.25 -1.26 -4.38 115.22 123.50 1rch n HIS 62 Ca -0.08 -1.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.04 1rch n HIS 62 Cb 0.63 -2.26 0.00 0.00 1.12 0.00 0.00 29.99 29.48 1rch n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rch s GLU 64 N 0.48 0.13 -0.12 0.00 2.02 -1.26 -3.11 118.70 116.84 1rch s GLU 64 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 54.97 54.84 1rch s GLU 64 Cb 0.00 -1.48 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 1rch s GLU 64 CO 0.00 -0.76 -0.00 0.08 0.02 0.00 0.00 175.26 174.60 1rch s VAL 65 N 2.19 4.26 -0.47 2.63 1.01 -0.91 -2.14 120.40 126.96 1rch s VAL 65 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1rch s VAL 65 Cb -0.16 -2.84 0.12 0.00 0.00 0.00 0.00 36.38 33.51 1rch s VAL 65 CO -0.17 0.54 0.25 -0.51 0.00 0.00 0.00 175.10 175.22 1rch s ILE 66 N -0.27 3.24 0.15 2.22 1.10 -0.42 -2.56 121.20 124.67 1rch s ILE 66 Ca 0.06 -2.42 -0.22 0.00 -0.51 0.00 0.00 60.65 57.55 1rch s ILE 66 Cb -0.12 -3.21 -0.08 0.00 0.15 0.00 0.00 42.46 39.20 1rch s ILE 66 CO 0.02 -0.74 0.71 -0.22 -2.11 0.00 0.00 174.94 172.60 1rch s LEU 67 N 0.69 4.52 -0.06 8.50 0.20 -0.84 -2.68 118.68 129.01 1rch s LEU 67 Ca 0.11 1.49 -0.01 0.00 0.69 0.00 0.00 54.13 56.42 1rch s LEU 67 Cb -0.22 -3.25 0.03 0.00 -0.43 0.00 0.00 46.19 42.31 1rch s LEU 67 CO -0.04 0.19 0.01 -0.55 -0.29 0.00 0.00 176.35 175.66 1rch s SER 68 N -1.25 1.45 0.34 3.68 0.15 0.75 -1.64 113.70 117.18 1rch s SER 68 Ca 0.36 -0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.76 1rch s SER 68 Cb -0.21 -0.40 0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1rch s SER 68 CO 0.23 -0.19 0.77 0.28 1.20 0.00 0.00 173.24 175.54 1rch s THR 69 N 1.89 0.00 -0.07 6.45 -1.32 -1.04 -2.62 115.64 118.93 1rch s THR 69 Ca 0.03 -0.98 0.24 0.00 -1.21 0.00 0.00 61.69 59.77 1rch s THR 69 Cb -0.12 -2.53 0.44 0.00 -1.51 0.00 0.00 72.50 68.78 1rch s THR 69 CO -0.05 0.00 1.16 -0.90 -2.21 0.00 0.00 174.62 172.63 1rch n ASP 70 N -1.03 1.23 -4.64 8.08 5.68 -1.26 -2.48 116.55 122.13 1rch n ASP 70 Ca -0.07 -2.17 -0.43 0.00 -0.50 0.00 0.00 54.79 51.62 1rch n ASP 70 Cb 0.60 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1rch n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1rch s SER 71 N -2.45 6.92 0.35 -1.12 0.15 -1.26 -4.89 113.70 111.40 1rch s SER 71 Ca 0.33 1.03 0.06 0.00 0.70 0.00 0.00 55.95 58.07 1rch s SER 71 Cb 0.38 -2.54 0.64 0.00 -1.71 0.00 0.00 66.02 62.79 1rch s SER 71 CO -0.14 -0.87 1.88 -0.61 1.20 0.00 0.00 173.24 174.70 1rch h GLN 72 N 8.09 0.44 -0.82 5.44 4.15 -1.98 0.24 115.11 130.68 1rch h GLN 72 Ca -0.21 -0.10 0.04 0.00 0.77 0.00 0.00 58.65 59.15 1rch h GLN 72 Cb 1.06 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.64 1rch h GLN 72 CO 1.03 0.51 0.52 -0.92 -1.93 0.00 0.00 178.83 178.04 1rch h TYR 73 N 0.42 0.98 0.18 3.99 3.20 -1.96 -0.96 116.97 122.82 1rch h TYR 73 Ca 0.09 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.72 1rch h TYR 73 Cb 0.36 -0.32 0.02 0.00 1.54 0.00 0.00 36.73 38.33 1rch h TYR 73 CO 0.01 0.55 -1.22 0.28 -1.64 0.00 0.00 178.16 176.14 1rch h VAL 74 N 1.01 1.30 -0.43 1.81 2.07 -1.86 -0.13 116.25 120.01 1rch h VAL 74 Ca 0.33 -2.57 0.07 0.00 0.82 0.00 0.00 66.70 65.35 1rch h VAL 74 Cb 0.03 3.03 -0.09 0.00 -1.52 0.00 0.00 31.29 32.74 1rch h VAL 74 CO -0.12 0.76 -0.47 -0.09 0.02 0.00 0.00 177.57 177.66 1rch h ARG 75 N -0.15 -0.33 -0.09 1.57 2.43 -0.29 0.92 114.38 118.44 1rch h ARG 75 Ca -0.23 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.85 1rch h ARG 75 Cb 1.88 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.51 1rch h ARG 75 CO 0.18 -0.22 -0.40 1.96 -1.51 0.00 0.00 179.97 179.98 1rch h GLN 76 N -0.34 0.43 -0.41 0.20 4.20 -1.31 -2.32 115.11 115.55 1rch h GLN 76 Ca 0.12 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 58.57 1rch h GLN 76 Cb 0.59 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.34 1rch h GLN 76 CO -0.60 0.98 -0.31 0.78 -0.67 0.00 0.00 178.83 179.01 1rch h GLY 77 N -0.01 -0.20 0.00 3.46 0.00 -0.33 0.10 103.07 106.09 1rch h GLY 77 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1rch h GLY 77 CO 0.08 -0.21 0.00 1.39 0.00 0.00 0.00 176.54 177.81 1rch n ILE 78 N -5.42 0.00 -1.14 2.60 2.08 0.31 -1.00 119.36 116.80 1rch n ILE 78 Ca 0.01 1.08 -0.26 0.00 0.56 0.00 0.00 62.75 64.14 1rch n ILE 78 Cb 0.33 -2.08 0.06 0.00 -0.75 0.00 0.00 39.64 37.20 1rch n ILE 78 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1rch n THR 79 N -1.99 3.24 0.05 1.39 -2.24 -0.87 -3.12 114.28 110.74 1rch n THR 79 Ca 0.00 -2.36 0.00 0.00 -2.27 0.00 0.00 64.05 59.42 1rch n THR 79 Cb 0.00 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1rch n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rch n GLN 80 N -0.30 0.00 0.05 -0.78 6.02 -0.00 -4.88 117.38 117.49 1rch n GLN 80 Ca 0.47 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.25 1rch n GLN 80 Cb 0.61 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.73 1rch n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1rch h TRP 81 N 0.00 0.57 -0.01 1.08 6.55 -0.60 -3.02 115.95 120.53 1rch h TRP 81 Ca 0.00 -0.42 -0.22 0.00 0.95 0.00 0.00 58.89 59.21 1rch h TRP 81 Cb 0.00 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.28 1rch h TRP 81 CO 0.00 1.43 -0.91 0.82 -1.05 0.00 0.00 178.44 178.73 1rch h ILE 82 N -0.28 1.42 -0.98 1.49 2.04 -1.01 0.66 117.51 120.86 1rch h ILE 82 Ca -0.21 -2.45 0.04 0.00 1.00 0.00 0.00 64.86 63.24 1rch h ILE 82 Cb 1.76 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 40.17 1rch h ILE 82 CO 0.14 0.73 0.64 -0.74 0.00 0.00 0.00 178.15 178.91 1rch h HIS 83 N 0.21 1.19 0.08 1.37 2.76 -1.65 0.63 115.15 119.74 1rch h HIS 83 Ca -0.07 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.90 1rch h HIS 83 Cb 1.53 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1rch h HIS 83 CO 0.05 0.67 -1.23 -0.91 -1.30 0.00 0.00 177.93 175.21 1rch h ASN 84 N 1.22 0.25 0.79 3.26 2.35 -1.39 -3.19 115.58 118.87 1rch h ASN 84 Ca 0.40 -0.80 -0.04 0.00 -0.55 0.00 0.00 56.30 55.31 1rch h ASN 84 Cb 0.04 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.33 1rch h ASN 84 CO -0.13 1.53 -0.38 -0.50 -1.65 0.00 0.00 177.43 176.29 1rch h TRP 85 N -0.53 -0.98 0.27 1.19 6.55 0.45 -1.56 115.95 121.34 1rch h TRP 85 Ca -0.28 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.54 1rch h TRP 85 Cb 1.58 0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 30.17 1rch h TRP 85 CO 0.14 -0.60 -0.41 -0.22 -1.05 0.00 0.00 178.44 176.29 1rch h LYS 86 N -1.11 -0.72 -0.24 0.49 3.64 0.09 0.70 116.57 119.42 1rch h LYS 86 Ca -0.11 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1rch h LYS 86 Cb 0.82 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.74 1rch h LYS 86 CO 0.18 -0.48 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.45 1rch h LYS 87 N -0.75 -0.20 -0.73 1.90 3.64 -1.56 0.68 116.57 119.54 1rch h LYS 87 Ca -0.01 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 1rch h LYS 87 Cb 0.71 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1rch h LYS 87 CO -0.15 -0.13 0.51 0.00 -2.27 0.00 0.00 179.45 177.41 1rch h ARG 88 N -0.21 0.20 0.00 1.90 3.08 -0.88 -3.44 114.38 115.03 1rch h ARG 88 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1rch h ARG 88 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1rch h ARG 88 CO -0.36 0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.08 1rch n GLY 89 N -1.59 0.98 3.00 0.04 0.00 0.23 -4.84 105.19 103.01 1rch n GLY 89 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.28 -3.67 1.61 7.02 0.23 -4.95 117.44 114.39 1rch n TRP 90 Ca 0.00 1.32 0.00 0.00 -1.02 0.00 0.00 57.50 57.80 1rch n TRP 90 Cb 0.00 -3.71 0.00 0.00 -2.42 0.00 0.00 31.31 25.18 1rch n TRP 90 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1rch n LYS 91 N -0.51 0.00 0.10 -0.99 5.02 -1.16 -4.78 118.16 115.84 1rch n LYS 91 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1rch n LYS 91 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1rch n LYS 91 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rch n THR 92 N 0.00 0.37 0.00 -0.18 -2.24 -1.23 -4.55 114.28 106.45 1rch n THR 92 Ca 0.00 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1rch n THR 92 Cb 0.00 -0.80 0.00 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 n ALA 93 N -3.33 0.37 -1.49 6.98 0.00 -1.26 -4.95 120.51 116.83 1rch n ALA 93 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1rch n ALA 93 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1rch n ALA 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rch n ASP 94 N -2.06 7.17 -2.74 0.00 5.75 -1.26 -4.86 116.55 118.55 1rch n ASP 94 Ca 0.00 -3.55 -0.00 0.00 -0.01 0.00 0.00 54.79 51.22 1rch n ASP 94 Cb 0.00 -1.08 -0.00 0.00 -1.03 0.00 0.00 41.12 39.01 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 -0.18 -3.41 -3.77 0.11 5.02 -1.26 -5.07 118.16 109.60 1rch n LYS 95 Ca 0.51 2.74 -0.10 0.00 -2.02 0.00 0.00 58.31 59.45 1rch n LYS 95 Cb 0.48 -5.19 -0.06 0.00 -0.02 0.00 0.00 35.03 30.24 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 -1.58 1.09 0.65 1.97 1.02 -1.26 -4.97 119.74 116.66 1rch s LYS 96 Ca -0.01 -0.89 -0.13 0.00 0.02 0.00 0.00 55.97 54.96 1rch s LYS 96 Cb 0.00 0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 37.73 1rch s LYS 96 CO 0.75 -0.42 1.05 -1.25 -0.92 0.00 0.00 175.35 174.57 1rch s PRO 97 N -3.87 3.14 0.46 -1.68 0.04 -1.26 -3.50 135.00 128.34 1rch s PRO 97 Ca 0.08 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.06 1rch s PRO 97 Cb 0.02 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1rch s PRO 97 CO -0.07 -0.94 0.83 0.08 0.04 0.00 0.00 177.00 176.93 1rch s VAL 98 N -2.80 4.78 0.06 -0.36 1.01 -1.26 -4.81 120.40 117.01 1rch s VAL 98 Ca 0.60 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1rch s VAL 98 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1rch s VAL 98 CO 0.47 -0.70 0.99 -0.75 0.00 0.00 0.00 175.10 175.11 1rch s LYS 99 N -4.25 4.61 -1.43 2.72 2.47 -1.26 -3.07 119.74 119.54 1rch s LYS 99 Ca 0.52 1.46 -0.09 0.00 -1.56 0.00 0.00 55.97 56.30 1rch s LYS 99 Cb -0.10 -3.41 0.02 0.00 -1.46 0.00 0.00 37.83 32.88 1rch s LYS 99 CO 0.37 0.05 1.02 0.09 0.16 0.00 0.00 175.35 177.05 1rch n ASN 100 N 3.38 -6.03 -0.08 1.43 3.02 -1.25 -4.85 115.26 110.88 1rch n ASN 100 Ca 0.04 -0.52 0.06 0.00 -0.03 0.00 0.00 54.58 54.13 1rch n ASN 100 Cb 0.50 -4.78 0.41 0.00 -0.61 0.00 0.00 39.78 35.30 1rch n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rch h VAL 101 N -2.29 1.04 -0.30 2.41 3.04 -1.80 -1.44 116.25 116.91 1rch h VAL 101 Ca -0.56 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 64.97 1rch h VAL 101 Cb 1.37 0.38 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 1rch h VAL 101 CO 0.58 0.11 0.03 -2.24 -1.01 0.00 0.00 177.57 175.05 1rch h ASP 102 N 0.61 -0.04 0.44 3.17 2.03 -1.88 0.77 116.42 121.52 1rch h ASP 102 Ca 0.23 0.06 -0.16 0.00 -0.73 0.00 0.00 57.03 56.42 1rch h ASP 102 Cb 0.15 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1rch h ASP 102 CO -0.06 0.01 -0.70 -0.07 -1.03 0.00 0.00 179.24 177.39 1rch h LEU 103 N 0.13 0.26 -0.22 0.15 3.38 -1.73 -2.13 115.31 115.16 1rch h LEU 103 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1rch h LEU 103 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1rch h LEU 103 CO -0.21 0.87 0.09 -0.50 0.09 0.00 0.00 178.44 178.79 1rch h TRP 104 N 0.15 0.32 -0.41 1.13 4.06 -0.44 -0.96 115.95 119.80 1rch h TRP 104 Ca -0.02 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 60.98 1rch h TRP 104 Cb 1.24 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 29.24 1rch h TRP 104 CO 0.02 0.35 0.06 1.96 -3.56 0.00 0.00 178.44 177.27 1rch h GLN 105 N 0.20 0.18 -0.89 0.49 4.20 0.84 0.72 115.11 120.85 1rch h GLN 105 Ca 0.07 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.83 1rch h GLN 105 Cb 0.16 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1rch h GLN 105 CO -0.01 0.12 0.58 -0.09 -0.67 0.00 0.00 178.83 178.76 1rch h ARG 106 N 0.18 0.99 0.23 1.46 2.43 -1.22 -0.58 114.38 117.87 1rch h ARG 106 Ca 0.20 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1rch h ARG 106 Cb 0.26 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1rch h ARG 106 CO -0.28 0.66 -0.11 1.25 -1.51 0.00 0.00 179.97 179.97 1rch h LEU 107 N 1.02 -0.26 -0.63 3.80 5.85 0.75 -0.78 115.31 125.06 1rch h LEU 107 Ca 0.38 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.24 1rch h LEU 107 Cb 0.18 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1rch h LEU 107 CO -0.14 -0.14 0.02 -0.78 -0.34 0.00 0.00 178.44 177.06 1rch h ASP 108 N -0.40 -0.23 -0.55 1.25 3.58 0.40 1.13 116.42 121.60 1rch h ASP 108 Ca -0.03 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 1rch h ASP 108 Cb 0.24 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1rch h ASP 108 CO 0.05 -0.10 0.20 0.00 -2.88 0.00 0.00 179.24 176.51 1rch h ALA 109 N 1.56 1.24 -0.12 -0.78 0.00 -1.19 -2.64 119.26 117.33 1rch h ALA 109 Ca 0.33 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1rch h ALA 109 Cb 0.54 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rch h ALA 109 CO -0.52 0.55 -0.53 0.00 0.00 0.00 0.00 179.25 178.75 1rch h ALA 110 N 1.36 0.22 -0.02 0.00 0.00 0.20 -2.89 119.26 118.13 1rch h ALA 110 Ca 0.20 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1rch h ALA 110 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rch h ALA 110 CO -0.01 0.42 0.03 -0.07 0.00 0.00 0.00 179.25 179.62 1rch h LEU 111 N 0.19 0.00 -4.12 0.00 3.38 0.12 -2.77 115.31 112.11 1rch h LEU 111 Ca -0.03 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 1rch h LEU 111 Cb 1.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 1rch h LEU 111 CO 0.11 0.00 0.19 0.61 0.09 0.00 0.00 178.44 179.44 1rch n GLY 112 N -1.25 3.88 1.88 0.83 0.00 -1.01 -3.56 105.19 105.95 1rch n GLY 112 Ca -0.02 -1.47 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 1.19 0.00 -3.96 1.61 1.13 -1.05 -5.02 117.38 111.29 1rch n GLN 113 Ca 0.41 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.25 1rch n GLN 113 Cb 0.64 -0.06 -0.04 0.00 0.11 0.00 0.00 30.24 30.89 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 2.93 -0.55 1.08 -3.43 -1.23 -3.73 115.29 108.36 1rch s HIS 114 Ca 0.00 -0.25 -0.28 0.00 -0.80 0.00 0.00 55.06 53.72 1rch s HIS 114 Cb 0.00 -1.64 0.02 0.00 -1.43 0.00 0.00 32.58 29.54 1rch s HIS 114 CO 0.00 0.32 1.26 -0.65 -2.00 0.00 0.00 174.74 173.67 1rch s GLN 115 N -3.92 3.49 -0.46 -0.38 -0.21 -1.18 -4.83 119.66 112.18 1rch s GLN 115 Ca 0.38 0.41 -0.28 0.00 0.02 0.00 0.00 55.36 55.89 1rch s GLN 115 Cb -0.06 -4.03 0.03 0.00 1.00 0.00 0.00 33.01 29.95 1rch s GLN 115 CO 0.25 -1.70 1.07 0.42 -2.12 0.00 0.00 175.29 173.21 1rch s ILE 116 N 5.23 4.31 -0.50 1.08 -1.09 -1.26 -2.15 121.20 126.81 1rch s ILE 116 Ca 0.48 1.16 -0.17 0.00 -2.23 0.00 0.00 60.65 59.89 1rch s ILE 116 Cb -0.09 -4.54 0.08 0.00 -1.58 0.00 0.00 42.46 36.34 1rch s ILE 116 CO 0.27 -0.90 0.49 -0.75 -1.23 0.00 0.00 174.94 172.82 1rch s LYS 117 N 4.18 3.02 -0.94 2.79 2.47 -1.06 -5.01 119.74 125.19 1rch s LYS 117 Ca 0.45 -1.32 -0.24 0.00 -1.56 0.00 0.00 55.97 53.29 1rch s LYS 117 Cb -0.08 -4.17 0.03 0.00 -1.46 0.00 0.00 37.83 32.14 1rch s LYS 117 CO 0.28 -1.17 1.53 -1.58 0.16 0.00 0.00 175.35 174.57 1rch s TRP 118 N 1.93 2.33 -0.88 4.03 0.52 -1.26 -1.98 118.94 123.63 1rch s TRP 118 Ca 0.07 -0.39 -0.15 0.00 0.02 0.00 0.00 56.10 55.65 1rch s TRP 118 Cb -0.24 -4.55 0.20 0.00 -1.15 0.00 0.00 33.47 27.73 1rch s TRP 118 CO 0.07 -1.94 0.89 -2.00 0.02 0.00 0.00 176.95 173.99 1rch s GLU 119 N 5.54 3.66 -0.21 4.98 2.12 -0.65 -5.01 118.70 129.12 1rch s GLU 119 Ca 0.49 -2.36 -0.26 0.00 0.36 0.00 0.00 54.97 53.20 1rch s GLU 119 Cb -0.03 -4.57 -0.00 0.00 0.26 0.00 0.00 34.13 29.79 1rch s GLU 119 CO -0.03 -1.41 0.89 -1.58 -0.54 0.00 0.00 175.26 172.59 1rch s TRP 120 N 0.67 3.36 0.72 5.30 0.52 -1.26 -2.51 118.94 125.73 1rch s TRP 120 Ca 0.23 1.27 -0.06 0.00 0.02 0.00 0.00 56.10 57.56 1rch s TRP 120 Cb -0.09 -3.10 0.08 0.00 -1.15 0.00 0.00 33.47 29.21 1rch s TRP 120 CO -0.09 -0.37 1.03 0.14 0.02 0.00 0.00 176.95 177.68 1rch s VAL 121 N 2.71 2.25 -1.45 4.03 -7.23 -1.03 -4.94 120.40 114.74 1rch s VAL 121 Ca 0.39 -0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 60.12 1rch s VAL 121 Cb -0.16 -2.95 -0.00 0.00 0.56 0.00 0.00 36.38 33.83 1rch s VAL 121 CO 0.09 0.00 2.39 0.29 -0.31 0.00 0.00 175.10 177.56 1rch n LYS 122 N -2.96 2.97 -1.64 4.82 4.76 -1.26 -4.90 118.16 119.95 1rch n LYS 122 Ca 0.09 -2.44 -0.15 0.00 -2.87 0.00 0.00 58.31 52.94 1rch n LYS 122 Cb 0.60 -3.14 -0.07 0.00 -1.84 0.00 0.00 35.03 30.59 1rch n LYS 122 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1rch s GLY 123 N 3.05 -0.69 0.22 0.72 0.00 -1.26 -3.90 107.32 105.45 1rch s GLY 123 Ca 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1rch s GLY 123 CO -0.07 4.13 0.00 -2.39 0.00 0.00 0.00 173.10 174.77 1rch n HIS 124 N 18.06 -2.69 -0.98 1.90 1.44 -1.26 -4.89 115.22 126.81 1rch n HIS 124 Ca 0.46 0.61 -0.14 0.00 -2.01 0.00 0.00 57.72 56.64 1rch n HIS 124 Cb 0.44 1.61 0.23 0.00 0.12 0.00 0.00 29.99 32.38 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 -3.03 4.91 -0.33 1.59 0.00 -1.25 -5.04 120.51 117.35 1rch n ALA 125 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1rch n ALA 125 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1rch n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rch n GLY 126 N -0.54 0.10 3.76 0.00 0.00 -1.26 -4.96 105.19 102.29 1rch n GLY 126 Ca 0.47 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1rch n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rch s HIS 127 N 0.00 -0.09 0.18 1.61 0.09 -1.26 -4.99 115.29 110.83 1rch s HIS 127 Ca 0.00 -0.33 0.03 0.00 -0.00 0.00 0.00 55.06 54.76 1rch s HIS 127 Cb 0.00 0.58 0.06 0.00 -0.00 0.00 0.00 32.58 33.22 1rch s HIS 127 CO 0.00 -1.15 1.43 -1.00 -0.00 0.00 0.00 174.74 174.02 1rch h PRO 128 N 2.07 0.20 0.20 8.40 0.13 -1.98 -0.84 132.00 140.18 1rch h PRO 128 Ca -0.22 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1rch h PRO 128 Cb 1.25 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1rch h PRO 128 CO 0.27 0.90 -0.10 0.93 -0.23 0.00 0.00 178.00 179.78 1rch h GLU 129 N 0.12 -0.26 -0.47 0.86 3.07 -2.00 -2.40 114.58 113.52 1rch h GLU 129 Ca -0.03 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 1rch h GLU 129 Cb 1.40 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.35 1rch h GLU 129 CO 0.12 0.08 0.07 -0.91 -1.40 0.00 0.00 179.01 176.97 1rch h ASN 130 N -0.63 0.68 -0.61 1.42 4.21 -1.94 -1.56 115.58 117.15 1rch h ASN 130 Ca -0.03 -0.13 0.08 0.00 1.21 0.00 0.00 56.30 57.43 1rch h ASN 130 Cb 0.45 -0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 37.41 1rch h ASN 130 CO 0.04 0.70 0.27 -0.33 -1.29 0.00 0.00 177.43 176.83 1rch h GLU 131 N 0.69 0.48 -0.47 0.81 5.08 -1.09 0.72 114.58 120.80 1rch h GLU 131 Ca 0.15 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1rch h GLU 131 Cb 0.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1rch h GLU 131 CO 0.01 0.31 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.19 1rch h ARG 132 N 0.49 0.81 -0.52 2.33 2.43 -0.88 -1.00 114.38 118.05 1rch h ARG 132 Ca 0.29 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1rch h ARG 132 Cb 0.30 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1rch h ARG 132 CO -0.25 0.84 0.31 0.00 -1.51 0.00 0.00 179.97 179.36 1rch h ASP 134 N 0.69 0.85 -0.31 0.00 3.58 0.83 0.17 116.42 122.22 1rch h ASP 134 Ca 0.18 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.67 1rch h ASP 134 Cb -0.00 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.82 1rch h ASP 134 CO -0.03 0.59 0.08 -0.08 -2.88 0.00 0.00 179.24 176.92 1rch h GLU 135 N 1.00 0.19 -0.80 0.28 4.81 -0.51 -0.43 114.58 119.12 1rch h GLU 135 Ca 0.30 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1rch h GLU 135 Cb -0.03 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1rch h GLU 135 CO -0.10 0.13 0.51 -0.07 -0.73 0.00 0.00 179.01 178.75 1rch h LEU 136 N 0.20 0.85 -0.49 1.64 3.38 -0.27 -1.51 115.31 119.11 1rch h LEU 136 Ca 0.14 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1rch h LEU 136 Cb 0.14 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1rch h LEU 136 CO -0.17 0.59 0.02 0.00 0.09 0.00 0.00 178.44 178.97 1rch h ALA 137 N 1.33 0.48 -0.75 1.53 0.00 0.47 0.68 119.26 123.00 1rch h ALA 137 Ca 0.32 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1rch h ALA 137 Cb -0.00 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1rch h ALA 137 CO -0.11 -0.37 0.44 -0.09 0.00 0.00 0.00 179.25 179.12 1rch h ARG 138 N 0.14 0.77 -0.99 0.00 2.43 -0.17 0.70 114.38 117.25 1rch h ARG 138 Ca 0.25 -0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.49 1rch h ARG 138 Cb 0.37 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1rch h ARG 138 CO -0.39 0.51 0.63 0.00 -1.51 0.00 0.00 179.97 179.21 1rch h ALA 139 N 1.38 1.54 0.01 2.80 0.00 0.01 0.49 119.26 125.49 1rch h ALA 139 Ca 0.34 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 55.00 1rch h ALA 139 Cb 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1rch h ALA 139 CO -0.18 0.22 -1.03 0.00 0.00 0.00 0.00 179.25 178.26 1rch h ALA 140 N 1.54 0.18 -0.98 0.00 0.00 0.10 -3.13 119.26 116.96 1rch h ALA 140 Ca 0.49 -0.71 0.26 0.00 0.00 0.00 0.00 54.91 54.95 1rch h ALA 140 Cb 0.48 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1rch h ALA 140 CO -0.25 0.72 0.68 0.00 0.00 0.00 0.00 179.25 180.40 1rch h ALA 141 N 0.49 2.61 -0.71 0.00 0.00 0.25 0.64 119.26 122.53 1rch h ALA 141 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.34 1rch h ALA 141 Cb 1.68 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 19.30 1rch h ALA 141 CO 0.20 -0.92 0.57 -1.33 0.00 0.00 0.00 179.25 177.77 1rch n MET 142 N -4.39 2.10 -2.84 0.00 2.81 -0.47 -4.30 117.12 110.02 1rch n MET 142 Ca 0.22 -2.28 -0.11 0.00 -1.81 0.00 0.00 57.70 53.71 1rch n MET 142 Cb 0.93 -1.89 0.03 0.00 -0.71 0.00 0.00 33.22 31.58 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 -0.38 -2.13 0.00 7.83 2.85 0.22 -4.99 115.26 118.66 1rch n ASN 143 Ca 0.44 -3.25 0.11 0.00 -0.11 0.00 0.00 54.58 51.76 1rch n ASN 143 Cb 0.87 1.32 0.49 0.00 1.24 0.00 0.00 39.78 43.70 1rch n ASN 143 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1rch n PRO 144 N 1.34 0.06 -3.17 1.20 -0.04 -1.26 -3.19 135.00 129.94 1rch n PRO 144 Ca 0.11 0.11 -0.46 0.00 -0.04 0.00 0.00 63.50 63.23 1rch n PRO 144 Cb 0.63 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1rch n PRO 144 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rch s THR 145 N -2.92 5.30 0.01 0.52 -4.23 -1.26 -1.79 115.64 111.27 1rch s THR 145 Ca 0.13 -2.22 -0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1rch s THR 145 Cb 0.14 -4.61 0.00 0.00 1.34 0.00 0.00 72.50 69.38 1rch s THR 145 CO 0.39 -1.24 0.01 0.18 -0.54 0.00 0.00 174.62 173.42 1rch n LEU 146 N 4.88 0.00 -4.62 4.79 4.77 -1.25 -4.98 117.00 120.59 1rch n LEU 146 Ca 0.19 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1rch n LEU 146 Cb 0.47 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1rch n LEU 146 CO 0.41 -0.01 1.02 -0.70 -1.33 0.00 0.00 177.39 176.79 1rch s GLU 147 N -2.01 3.87 -1.04 3.23 2.12 -1.26 -4.94 118.70 118.67 1rch s GLU 147 Ca 0.00 0.85 -0.21 0.00 0.36 0.00 0.00 54.97 55.97 1rch s GLU 147 Cb -0.00 -3.84 0.07 0.00 0.26 0.00 0.00 34.13 30.62 1rch s GLU 147 CO 0.00 -1.18 1.42 0.34 -0.54 0.00 0.00 175.26 175.31 1rch s ASP 148 N 2.25 6.58 -0.25 -1.70 2.15 -1.26 -4.66 116.67 119.78 1rch s ASP 148 Ca 0.48 -1.72 -0.01 0.00 0.43 0.00 0.00 52.55 51.74 1rch s ASP 148 Cb -0.10 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 39.83 1rch s ASP 148 CO 0.24 -1.37 -0.24 0.41 -0.17 0.00 0.00 175.17 174.04 1rch n THR 149 N 6.52 1.44 -0.06 1.71 -1.04 -1.26 -4.56 114.28 117.03 1rch n THR 149 Ca 0.33 -0.52 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 1rch n THR 149 Cb 0.50 -1.46 -0.02 0.00 -1.82 0.00 0.00 70.33 67.53 1rch n THR 149 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rch h GLY 150 N 1.46 0.25 -7.27 3.41 0.00 -1.95 -3.36 103.07 95.61 1rch h GLY 150 Ca -0.58 0.01 -0.74 0.00 0.00 0.00 0.00 47.33 46.02 1rch h GLY 150 CO -0.14 -0.03 -0.34 -0.47 0.00 0.00 0.00 176.54 175.56 1rch s TYR 151 N -6.19 3.32 0.12 5.60 6.14 -1.26 -5.03 117.35 120.06 1rch s TYR 151 Ca -0.13 -1.43 -0.19 0.00 0.64 0.00 0.00 57.07 55.95 1rch s TYR 151 Cb 0.10 -3.41 0.05 0.00 0.42 0.00 0.00 41.96 39.12 1rch s TYR 151 CO 0.69 -0.93 0.48 -0.65 0.64 0.00 0.00 175.55 175.78 1rch s GLN 152 N 1.50 1.12 -1.41 4.97 -0.21 -1.26 -4.92 119.66 119.46 1rch s GLN 152 Ca 0.04 -0.57 -0.09 0.00 0.02 0.00 0.00 55.36 54.76 1rch s GLN 152 Cb -0.26 0.50 0.07 0.00 1.00 0.00 0.00 33.01 34.32 1rch s GLN 152 CO 0.02 -0.45 2.38 0.28 -2.12 0.00 0.00 175.29 175.40 1rch n VAL 153 N -0.18 4.48 -0.00 1.09 0.31 -1.26 -4.64 118.33 118.14 1rch n VAL 153 Ca -0.17 -3.68 -0.00 0.00 -0.01 0.00 0.00 64.34 60.48 1rch n VAL 153 Cb 0.64 -2.38 -0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 5.23 -0.01 0.00 5.55 5.08 -1.96 -3.55 114.58 124.92 1rch h GLU 154 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1rch h GLU 154 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1rch h GLU 154 CO 1.67 -0.00 0.00 0.28 -1.00 0.00 0.00 179.01 179.95