#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1law n LEU 2 N 0.00 4.55 -0.10 -0.89 4.77 -1.26 -4.94 117.00 119.13 1law n LEU 2 Ca 0.00 1.22 0.13 0.00 -0.03 0.00 0.00 56.01 57.33 1law n LEU 2 Cb 0.00 -1.60 0.33 0.00 -2.33 0.00 0.00 43.42 39.82 1law n LEU 2 CO 0.00 0.05 0.57 0.29 -1.33 0.00 0.00 177.39 176.96 1law n LYS 3 N 0.51 0.35 -4.39 3.23 4.76 -1.26 -4.85 118.16 116.52 1law n LYS 3 Ca 0.02 -0.20 -0.20 0.00 -2.87 0.00 0.00 58.31 55.06 1law n LYS 3 Cb 0.38 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 1law n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1law s GLN 4 N -2.78 0.94 0.15 1.97 0.74 -1.26 -4.91 119.66 114.50 1law s GLN 4 Ca 0.17 -0.69 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 1law s GLN 4 Cb 0.18 -0.93 -0.07 0.00 1.10 0.00 0.00 33.01 33.29 1law s GLN 4 CO 0.62 0.24 0.95 0.08 -0.55 0.00 0.00 175.29 176.62 1law s VAL 5 N -0.75 4.38 -0.13 1.34 1.01 -0.19 -4.96 120.40 121.10 1law s VAL 5 Ca 0.02 2.07 0.01 0.00 0.00 0.00 0.00 61.98 64.08 1law s VAL 5 Cb -0.07 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1law s VAL 5 CO 0.01 0.37 -0.17 -1.61 0.00 0.00 0.00 175.10 173.70 1law s GLU 6 N -0.35 3.24 -0.02 2.72 2.02 -1.08 -1.83 118.70 123.40 1law s GLU 6 Ca 0.45 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.74 1law s GLU 6 Cb -0.24 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 1law s GLU 6 CO 0.30 0.14 -0.18 0.42 0.02 0.00 0.00 175.26 175.96 1law s ILE 7 N 0.51 1.46 -0.02 -1.63 1.01 -0.48 -0.76 121.20 121.28 1law s ILE 7 Ca -0.11 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1law s ILE 7 Cb -0.16 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1law s ILE 7 CO 0.05 0.41 -0.16 -0.36 0.00 0.00 0.00 174.94 174.88 1law s PHE 8 N -0.34 1.44 0.03 3.97 0.40 -0.28 -0.98 117.98 122.22 1law s PHE 8 Ca 0.05 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1law s PHE 8 Cb -0.08 -0.94 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 1law s PHE 8 CO -0.00 -0.04 -0.03 0.95 0.70 0.00 0.00 175.22 176.80 1law s THR 9 N -0.30 0.13 0.09 0.64 -4.23 -0.91 -1.92 115.64 109.14 1law s THR 9 Ca 0.05 -1.11 -0.20 0.00 -1.18 0.00 0.00 61.69 59.24 1law s THR 9 Cb -0.07 -0.55 0.05 0.00 1.34 0.00 0.00 72.50 73.27 1law s THR 9 CO -0.00 -0.61 0.49 -0.62 -0.54 0.00 0.00 174.62 173.34 1law s ASP 10 N -1.79 -0.39 0.02 3.99 -1.08 -0.54 -4.52 116.67 112.36 1law s ASP 10 Ca -0.11 0.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1law s ASP 10 Cb -0.06 0.50 -0.02 0.00 -1.46 0.00 0.00 42.92 41.88 1law s ASP 10 CO -0.03 -0.79 -0.03 -0.83 0.52 0.00 0.00 175.17 174.00 1law s GLY 11 N -2.33 0.26 0.03 2.66 0.00 -1.26 -1.76 107.32 104.92 1law s GLY 11 Ca -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 1law s GLY 11 CO -0.06 -0.66 0.04 -0.45 0.00 0.00 0.00 173.10 171.96 1law s SER 12 N -1.44 0.26 -0.15 1.64 0.15 0.33 -4.80 113.70 109.69 1law s SER 12 Ca -0.15 -0.62 -0.17 0.00 0.70 0.00 0.00 55.95 55.71 1law s SER 12 Cb -0.10 0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.44 1law s SER 12 CO -0.01 -0.47 0.47 0.00 1.20 0.00 0.00 173.24 174.43 1law n LEU 14 N 2.47 0.92 0.00 0.00 4.77 -0.78 -4.90 117.00 119.47 1law n LEU 14 Ca -0.15 -0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1law n LEU 14 Cb 0.57 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1law n LEU 14 CO 0.13 0.21 0.01 0.61 -1.33 0.00 0.00 177.39 177.03 1law n GLY 15 N 1.48 2.30 2.30 -0.72 0.00 -1.26 -4.89 105.19 104.40 1law n GLY 15 Ca 0.06 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 1law n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1law n ASN 16 N -1.34 0.81 -4.92 1.61 5.15 -1.26 -3.31 115.26 111.99 1law n ASN 16 Ca -0.00 -2.79 -0.26 0.00 -0.60 0.00 0.00 54.58 50.93 1law n ASN 16 Cb 0.02 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 38.66 1law n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1law s PRO 17 N -1.21 3.02 0.37 1.20 0.04 -1.26 -5.13 135.00 132.03 1law s PRO 17 Ca 0.35 -0.07 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1law s PRO 17 Cb 0.13 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1law s PRO 17 CO -0.11 -0.57 0.78 0.20 0.04 0.00 0.00 177.00 177.34 1law s GLY 18 N -4.27 0.29 0.09 0.56 0.00 -0.39 -4.87 107.32 98.74 1law s GLY 18 Ca 0.52 -0.68 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 1law s GLY 18 CO 0.44 -0.27 1.33 2.56 0.00 0.00 0.00 173.10 177.15 1law s PRO 19 N -2.58 4.35 0.29 2.90 0.04 -1.07 0.68 135.00 139.61 1law s PRO 19 Ca 0.15 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.22 1law s PRO 19 Cb -0.05 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1law s PRO 19 CO 0.11 -0.39 0.26 0.41 0.04 0.00 0.00 177.00 177.43 1law n GLY 20 N 3.41 3.00 3.81 0.56 0.00 0.01 -1.87 105.19 114.12 1law n GLY 20 Ca 0.11 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 1law n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1law s GLY 21 N -3.01 0.31 0.09 -0.02 0.00 0.00 -0.19 107.32 104.50 1law s GLY 21 Ca 0.34 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 1law s GLY 21 CO 0.24 -0.24 0.03 -2.52 0.00 0.00 0.00 173.10 170.61 1law s TYR 22 N -2.49 0.62 -0.01 1.90 -0.85 -0.83 -0.51 117.35 115.18 1law s TYR 22 Ca 0.15 -1.09 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 1law s TYR 22 Cb -0.05 -0.39 0.01 0.00 0.38 0.00 0.00 41.96 41.91 1law s TYR 22 CO 0.11 -0.45 -0.00 0.20 -1.52 0.00 0.00 175.55 173.88 1law s GLY 23 N -2.97 0.11 -0.12 5.49 0.00 -0.72 -3.11 107.32 106.00 1law s GLY 23 Ca 0.14 0.06 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 1law s GLY 23 CO -0.05 0.23 0.31 0.00 0.00 0.00 0.00 173.10 173.58 1law s ALA 24 N 0.40 -0.75 -0.12 3.20 0.00 -0.30 -1.47 121.76 122.73 1law s ALA 24 Ca -0.04 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1law s ALA 24 Cb -0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1law s ALA 24 CO -0.01 -0.18 -0.19 0.42 0.00 0.00 0.00 175.76 175.80 1law s ILE 25 N 0.66 2.46 -0.16 0.00 1.01 -0.81 -0.42 121.20 123.95 1law s ILE 25 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1law s ILE 25 Cb -0.05 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.44 1law s ILE 25 CO -0.04 0.54 -0.16 -0.22 0.00 0.00 0.00 174.94 175.05 1law s LEU 26 N 0.49 1.85 -0.60 2.97 2.96 0.13 -1.12 118.68 125.37 1law s LEU 26 Ca -0.13 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 1law s LEU 26 Cb -0.17 -1.29 0.15 0.00 0.50 0.00 0.00 46.19 45.39 1law s LEU 26 CO 0.05 -0.03 0.53 -0.13 -1.32 0.00 0.00 176.35 175.45 1law s ARG 27 N 1.38 2.98 -0.10 1.98 0.52 0.07 0.12 118.95 125.90 1law s ARG 27 Ca 0.04 -1.98 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 1law s ARG 27 Cb -0.13 -4.19 0.02 0.00 0.52 0.00 0.00 34.95 31.17 1law s ARG 27 CO -0.11 -1.27 -0.09 -0.47 0.02 0.00 0.00 175.30 173.37 1law s TYR 28 N 1.04 1.54 0.00 -0.53 5.04 -0.36 -2.64 117.35 121.43 1law s TYR 28 Ca 0.09 -0.74 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 1law s TYR 28 Cb -0.23 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.85 1law s TYR 28 CO -0.02 -0.47 0.00 0.54 -1.34 0.00 0.00 175.55 174.26 1law n ARG 29 N 4.65 0.00 -0.04 4.97 5.12 -1.26 -1.94 116.66 128.16 1law n ARG 29 Ca -0.16 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.82 1law n ARG 29 Cb 0.50 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.87 1law n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1law n GLY 30 N 0.00 3.95 3.73 -0.13 0.00 -1.26 -4.64 105.19 106.84 1law n GLY 30 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1law n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1law s ARG 31 N -1.95 2.32 -0.22 1.61 0.52 -0.82 -5.11 118.95 115.31 1law s ARG 31 Ca 0.16 -1.61 0.02 0.00 -0.52 0.00 0.00 55.73 53.78 1law s ARG 31 Cb 0.14 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.52 1law s ARG 31 CO 0.02 0.07 -0.16 -2.00 0.02 0.00 0.00 175.30 173.24 1law s GLU 32 N -3.85 2.66 -0.05 3.54 2.12 -1.26 -1.23 118.70 120.63 1law s GLU 32 Ca 0.38 -1.06 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1law s GLU 32 Cb -0.01 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 1law s GLU 32 CO 0.22 -0.37 0.10 0.15 -0.54 0.00 0.00 175.26 174.82 1law s LYS 33 N 1.21 3.21 -0.10 4.30 1.02 0.12 -4.94 119.74 124.55 1law s LYS 33 Ca -0.01 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1law s LYS 33 Cb -0.16 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1law s LYS 33 CO -0.09 0.70 -0.16 0.99 -0.92 0.00 0.00 175.35 175.86 1law s THR 34 N -1.11 1.53 -0.04 2.17 2.01 -1.26 -0.69 115.64 118.25 1law s THR 34 Ca 0.19 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1law s THR 34 Cb -0.12 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1law s THR 34 CO 0.10 0.45 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.89 1law s PHE 35 N 0.79 2.49 -0.28 4.92 0.08 0.44 -5.01 117.98 121.40 1law s PHE 35 Ca -0.11 -0.45 -0.23 0.00 0.12 0.00 0.00 56.93 56.26 1law s PHE 35 Cb -0.16 -1.58 0.11 0.00 -0.57 0.00 0.00 43.02 40.82 1law s PHE 35 CO 0.02 -0.03 0.95 0.45 -0.10 0.00 0.00 175.22 176.50 1law s SER 36 N -0.47 -0.54 0.07 1.36 0.15 -1.26 -1.15 113.70 111.86 1law s SER 36 Ca 0.06 1.00 -0.22 0.00 0.70 0.00 0.00 55.95 57.49 1law s SER 36 Cb -0.12 1.06 0.05 0.00 -1.71 0.00 0.00 66.02 65.30 1law s SER 36 CO 0.01 -0.17 0.51 0.00 1.20 0.00 0.00 173.24 174.79 1law s ALA 37 N 0.49 -1.31 0.15 5.45 0.00 -1.18 -5.00 121.76 120.35 1law s ALA 37 Ca 0.00 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.57 1law s ALA 37 Cb -0.05 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1law s ALA 37 CO -0.07 -0.55 -0.20 0.20 0.00 0.00 0.00 175.76 175.14 1law s GLY 38 N -2.16 1.68 -0.04 0.00 0.00 -1.26 -1.96 107.32 103.59 1law s GLY 38 Ca -0.04 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.27 1law s GLY 38 CO -0.04 -1.45 -0.14 -0.19 0.00 0.00 0.00 173.10 171.27 1law s TYR 39 N -1.33 1.45 0.27 1.90 1.51 0.73 -1.25 117.35 120.63 1law s TYR 39 Ca 0.19 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1law s TYR 39 Cb -0.10 -0.99 0.35 0.00 -0.11 0.00 0.00 41.96 41.12 1law s TYR 39 CO 0.10 -0.14 1.91 1.79 -1.11 0.00 0.00 175.55 178.10 1law h THR 40 N 5.29 1.23 -2.28 -0.71 1.35 -1.46 0.06 112.91 116.39 1law h THR 40 Ca -0.33 -0.54 -0.30 0.00 -0.55 0.00 0.00 66.41 64.70 1law h THR 40 Cb 1.17 0.10 -0.34 0.00 -1.73 0.00 0.00 68.15 67.35 1law h THR 40 CO 0.48 0.25 -0.61 -0.60 -0.25 0.00 0.00 175.52 174.79 1law s ARG 41 N -5.80 0.27 0.00 4.72 3.52 -1.26 -2.61 118.95 117.79 1law s ARG 41 Ca -0.12 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1law s ARG 41 Cb 0.17 -0.88 0.00 0.00 -1.56 0.00 0.00 34.95 32.69 1law s ARG 41 CO 0.81 -0.81 0.00 -2.37 -0.81 0.00 0.00 175.30 172.12 1law n THR 42 N 5.32 0.00 -4.46 4.11 5.66 0.21 -4.43 114.28 120.70 1law n THR 42 Ca -0.04 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.74 1law n THR 42 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1law n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1law s THR 43 N -2.74 1.63 0.13 1.09 -4.23 -1.26 -1.26 115.64 108.99 1law s THR 43 Ca 0.00 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.23 1law s THR 43 Cb 0.00 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 1law s THR 43 CO 0.00 -0.20 1.75 -1.13 -0.54 0.00 0.00 174.62 174.50 1law h ASN 44 N 2.18 0.32 -0.67 3.99 -1.24 -1.85 -1.92 115.58 116.38 1law h ASN 44 Ca -0.41 -0.05 -0.06 0.00 0.71 0.00 0.00 56.30 56.50 1law h ASN 44 Cb 1.24 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.18 1law h ASN 44 CO 0.69 0.27 0.19 0.78 -1.29 0.00 0.00 177.43 178.08 1law h ASN 45 N 0.34 1.00 -0.28 1.15 -0.26 -1.96 -1.62 115.58 113.95 1law h ASN 45 Ca 0.10 -0.22 -0.11 0.00 -0.56 0.00 0.00 56.30 55.51 1law h ASN 45 Cb 0.01 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1law h ASN 45 CO -0.02 0.96 -0.19 0.03 -1.06 0.00 0.00 177.43 177.14 1law h ARG 46 N 0.99 0.74 -0.33 0.81 3.08 -1.94 -2.62 114.38 115.11 1law h ARG 46 Ca 0.21 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1law h ARG 46 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1law h ARG 46 CO -0.00 0.88 -0.19 0.52 -1.07 0.00 0.00 179.97 180.10 1law h MET 47 N 0.65 0.62 -0.42 0.04 2.86 -1.14 -1.33 114.93 116.21 1law h MET 47 Ca 0.10 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1law h MET 47 Cb 0.68 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1law h MET 47 CO 0.05 0.77 0.13 0.93 1.06 0.00 0.00 176.91 179.85 1law h GLU 48 N 0.55 0.64 -0.30 1.72 5.08 -1.06 -2.64 114.58 118.58 1law h GLU 48 Ca 0.09 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1law h GLU 48 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1law h GLU 48 CO 0.04 0.63 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.25 1law h LEU 49 N 0.53 0.72 -1.33 1.33 3.38 -1.45 -3.10 115.31 115.39 1law h LEU 49 Ca 0.13 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1law h LEU 49 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1law h LEU 49 CO -0.00 1.02 -0.12 -0.03 0.09 0.00 0.00 178.44 179.39 1law h MET 50 N 0.57 0.30 0.26 1.13 4.05 -1.16 -1.06 114.93 119.02 1law h MET 50 Ca 0.05 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1law h MET 50 Cb 0.89 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1law h MET 50 CO 0.08 0.43 -0.13 0.00 0.23 0.00 0.00 176.91 177.52 1law h ALA 51 N 1.60 -0.35 -0.41 0.39 0.00 -1.39 -1.65 119.26 117.45 1law h ALA 51 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1law h ALA 51 Cb 0.40 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1law h ALA 51 CO 0.02 -0.67 0.22 0.00 0.00 0.00 0.00 179.25 178.82 1law h ALA 52 N 0.31 0.52 0.57 0.00 0.00 -1.50 -3.05 119.26 116.11 1law h ALA 52 Ca -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1law h ALA 52 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1law h ALA 52 CO 0.06 0.05 -0.47 0.82 0.00 0.00 0.00 179.25 179.71 1law h ILE 53 N 0.52 0.00 -0.96 0.00 2.04 -0.86 -2.25 117.51 116.00 1law h ILE 53 Ca 0.14 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.13 1law h ILE 53 Cb 0.07 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.06 1law h ILE 53 CO -0.02 0.00 0.59 0.58 0.00 0.00 0.00 178.15 179.30 1law h VAL 54 N -1.01 0.89 -0.37 1.67 2.07 -1.37 0.02 116.25 118.16 1law h VAL 54 Ca -0.07 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1law h VAL 54 Cb 0.85 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1law h VAL 54 CO -0.01 0.17 -0.06 0.00 0.02 0.00 0.00 177.57 177.69 1law h ALA 55 N 1.53 0.50 -0.19 1.67 0.00 -1.44 -2.81 119.26 118.53 1law h ALA 55 Ca 0.48 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1law h ALA 55 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1law h ALA 55 CO -0.28 0.33 -0.39 -0.07 0.00 0.00 0.00 179.25 178.85 1law h LEU 56 N 0.49 0.66 -1.84 0.00 3.38 -1.23 -3.02 115.31 113.75 1law h LEU 56 Ca 0.10 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1law h LEU 56 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1law h LEU 56 CO 0.03 1.10 0.04 -0.33 0.09 0.00 0.00 178.44 179.36 1law h GLU 57 N 0.26 0.00 0.00 1.13 5.08 -0.95 -1.28 114.58 118.82 1law h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1law h GLU 57 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1law h GLU 57 CO 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1law h ALA 58 N 1.91 1.00 -2.51 3.43 0.00 -1.36 -3.45 119.26 118.28 1law h ALA 58 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1law h ALA 58 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1law h ALA 58 CO 0.00 0.00 0.46 -0.51 0.00 0.00 0.00 179.25 179.20 1law s LEU 59 N -5.05 4.41 0.00 0.00 1.43 -0.48 -4.96 118.68 114.02 1law s LEU 59 Ca 0.08 1.90 0.17 0.00 -1.03 0.00 0.00 54.13 55.25 1law s LEU 59 Cb 0.10 -3.58 -0.17 0.00 0.03 0.00 0.00 46.19 42.56 1law s LEU 59 CO 0.58 -0.30 0.76 0.29 0.23 0.00 0.00 176.35 177.91 1law n LYS 60 N 3.43 1.26 -4.23 1.70 4.76 -1.26 -5.00 118.16 118.81 1law n LYS 60 Ca 0.06 -0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.29 1law n LYS 60 Cb 0.48 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.24 1law n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1law s GLU 61 N -2.60 1.20 0.07 1.97 1.03 -1.26 -5.11 118.70 113.99 1law s GLU 61 Ca 0.07 -1.62 -0.31 0.00 0.03 0.00 0.00 54.97 53.15 1law s GLU 61 Cb 0.13 0.05 -0.07 0.00 -0.80 0.00 0.00 34.13 33.44 1law s GLU 61 CO 0.69 -0.31 1.44 -1.01 -1.33 0.00 0.00 175.26 174.74 1law s HIS 62 N -3.96 2.98 0.36 4.83 3.76 -1.26 -4.98 115.29 117.02 1law s HIS 62 Ca 0.34 0.80 0.07 0.00 -0.15 0.00 0.00 55.06 56.13 1law s HIS 62 Cb 0.07 -3.72 -0.07 0.00 1.11 0.00 0.00 32.58 29.97 1law s HIS 62 CO 0.10 -2.65 -0.02 0.00 -0.85 0.00 0.00 174.74 171.32 1law s GLU 64 N -3.72 2.89 0.24 0.00 2.02 -1.26 -1.06 118.70 117.81 1law s GLU 64 Ca 0.34 -1.00 0.10 0.00 0.02 0.00 0.00 54.97 54.42 1law s GLU 64 Cb 0.07 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1law s GLU 64 CO 0.16 -0.57 -0.06 0.08 0.02 0.00 0.00 175.26 174.89 1law s VAL 65 N 1.48 3.22 -0.14 2.63 1.01 0.88 -1.02 120.40 128.47 1law s VAL 65 Ca 0.01 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.06 1law s VAL 65 Cb -0.18 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.57 1law s VAL 65 CO 0.04 -0.29 0.03 -0.51 0.00 0.00 0.00 175.10 174.36 1law s ILE 66 N -2.14 0.38 -0.19 2.22 2.07 -0.76 -0.90 121.20 121.88 1law s ILE 66 Ca 0.29 -0.21 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1law s ILE 66 Cb -0.07 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.76 1law s ILE 66 CO 0.18 -0.01 -0.07 -0.22 -1.91 0.00 0.00 174.94 172.91 1law s LEU 67 N 1.95 2.89 -0.19 8.50 0.20 -0.15 -1.39 118.68 130.49 1law s LEU 67 Ca 0.02 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 54.49 1law s LEU 67 Cb -0.15 -1.71 -0.00 0.00 -0.43 0.00 0.00 46.19 43.90 1law s LEU 67 CO -0.07 0.06 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.39 1law s SER 68 N 1.01 3.87 0.00 3.68 0.15 -0.15 -0.25 113.70 122.01 1law s SER 68 Ca -0.00 -0.46 -0.20 0.00 0.70 0.00 0.00 55.95 55.99 1law s SER 68 Cb -0.15 -1.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.57 1law s SER 68 CO -0.00 0.02 0.44 0.28 1.20 0.00 0.00 173.24 175.18 1law s THR 69 N 1.20 0.04 -1.34 6.45 -1.32 -1.00 -2.15 115.64 117.53 1law s THR 69 Ca 0.02 -0.36 0.14 0.00 -1.21 0.00 0.00 61.69 60.28 1law s THR 69 Cb -0.14 -0.84 0.35 0.00 -1.51 0.00 0.00 72.50 70.36 1law s THR 69 CO -0.04 -0.20 1.27 -0.90 -2.21 0.00 0.00 174.62 172.54 1law n ASP 70 N 0.87 3.04 -4.68 8.08 5.75 -1.26 -1.08 116.55 127.27 1law n ASP 70 Ca -0.20 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.23 1law n ASP 70 Cb 0.58 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 1law n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1law s SER 71 N -1.04 6.87 0.14 -1.12 0.15 -1.26 -4.74 113.70 112.69 1law s SER 71 Ca 0.28 1.98 -0.03 0.00 0.70 0.00 0.00 55.95 58.88 1law s SER 71 Cb 0.15 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1law s SER 71 CO 0.20 -0.74 1.32 -0.61 1.20 0.00 0.00 173.24 174.61 1law h GLN 72 N 8.15 0.38 0.02 5.44 4.15 -1.97 -3.01 115.11 128.27 1law h GLN 72 Ca -0.35 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 58.67 1law h GLN 72 Cb 1.16 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1law h GLN 72 CO 0.92 1.08 -0.01 -0.92 -1.93 0.00 0.00 178.83 177.97 1law h TYR 73 N 0.22 -0.03 -0.33 3.99 3.20 -1.99 0.32 116.97 122.35 1law h TYR 73 Ca -0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1law h TYR 73 Cb 1.56 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 1law h TYR 73 CO 0.05 -0.00 0.22 0.82 -1.64 0.00 0.00 178.16 177.61 1law h ILE 74 N -0.04 1.09 0.03 1.81 2.04 -1.96 -0.46 117.51 120.02 1law h ILE 74 Ca -0.00 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1law h ILE 74 Cb 0.04 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1law h ILE 74 CO 0.01 0.09 -0.08 -0.09 0.00 0.00 0.00 178.15 178.07 1law h ARG 75 N 0.45 -0.15 -0.51 2.37 2.43 -1.35 0.12 114.38 117.75 1law h ARG 75 Ca 0.12 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1law h ARG 75 Cb -0.04 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1law h ARG 75 CO -0.03 -0.10 0.27 1.96 -1.51 0.00 0.00 179.97 180.57 1law h GLN 76 N -0.15 0.52 0.61 0.20 4.20 -0.30 0.59 115.11 120.77 1law h GLN 76 Ca 0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1law h GLN 76 Cb 0.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1law h GLN 76 CO -0.06 0.34 -0.41 0.78 -0.67 0.00 0.00 178.83 178.81 1law h GLY 77 N 0.53 -1.07 1.19 3.46 0.00 -0.55 0.65 103.07 107.28 1law h GLY 77 Ca 0.22 0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.98 1law h GLY 77 CO -0.14 -0.37 0.35 -2.22 0.00 0.00 0.00 176.54 174.16 1law h ILE 78 N -0.97 1.23 0.00 2.60 1.08 -0.63 0.55 117.51 121.37 1law h ILE 78 Ca -0.07 -0.66 -0.18 0.00 -0.39 0.00 0.00 64.86 63.56 1law h ILE 78 Cb 0.80 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1law h ILE 78 CO 0.05 0.28 -1.62 0.35 -0.69 0.00 0.00 178.15 176.52 1law n THR 79 N -4.33 1.09 0.00 -0.27 -2.24 0.19 -4.73 114.28 103.99 1law n THR 79 Ca 0.07 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1law n THR 79 Cb 0.14 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1law n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1law n GLN 80 N -2.80 2.40 -0.11 -0.78 6.02 0.19 -4.98 117.38 117.32 1law n GLN 80 Ca -0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.69 1law n GLN 80 Cb 0.85 -0.90 -0.07 0.00 1.02 0.00 0.00 30.24 31.15 1law n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1law n TRP 81 N -1.86 0.25 -0.32 1.08 8.01 -0.79 -4.60 117.44 119.20 1law n TRP 81 Ca 0.00 0.11 0.22 0.00 -1.31 0.00 0.00 57.50 56.52 1law n TRP 81 Cb 0.40 -0.80 0.44 0.00 -2.01 0.00 0.00 31.31 29.34 1law n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1law h ILE 82 N -1.00 0.17 0.39 -0.99 2.10 -1.20 -0.02 117.51 116.96 1law h ILE 82 Ca -0.32 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 1law h ILE 82 Cb 1.21 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.94 1law h ILE 82 CO -0.19 0.03 -0.25 -0.74 -1.08 0.00 0.00 178.15 175.92 1law h HIS 83 N 0.15 -0.65 -0.01 2.19 2.76 -1.83 -1.26 115.15 116.50 1law h HIS 83 Ca 0.71 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.80 1law h HIS 83 Cb 1.64 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.83 1law h HIS 83 CO -0.15 -0.38 -0.32 -0.91 -1.30 0.00 0.00 177.93 174.87 1law h ASN 84 N -0.61 0.02 0.68 3.26 2.35 -1.41 -2.98 115.58 116.89 1law h ASN 84 Ca -0.04 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1law h ASN 84 Cb 0.51 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1law h ASN 84 CO 0.03 0.34 -0.52 -0.50 -1.65 0.00 0.00 177.43 175.13 1law h TRP 85 N 0.02 0.00 -0.03 1.19 6.55 -0.63 -2.57 115.95 120.48 1law h TRP 85 Ca -0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 1law h TRP 85 Cb 0.57 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.86 1law h TRP 85 CO 0.00 0.52 -0.75 0.87 -1.05 0.00 0.00 178.44 178.03 1law h LYS 86 N 0.00 0.22 0.00 0.49 1.57 -1.08 0.90 116.57 118.68 1law h LYS 86 Ca -0.01 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1law h LYS 86 Cb 1.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1law h LYS 86 CO 0.07 0.87 -0.14 0.87 -0.57 0.00 0.00 179.45 180.55 1law h LYS 87 N 0.14 0.00 -0.66 3.15 1.57 -1.59 -3.18 116.57 116.00 1law h LYS 87 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1law h LYS 87 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1law h LYS 87 CO 0.12 0.14 0.00 0.54 -0.57 0.00 0.00 179.45 179.68 1law n ARG 88 N -3.15 2.74 -2.31 3.15 1.74 -0.97 -4.93 116.66 112.92 1law n ARG 88 Ca 0.03 -2.55 -0.15 0.00 -0.77 0.00 0.00 57.85 54.41 1law n ARG 88 Cb 0.57 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 1law n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1law n GLY 89 N 1.47 -0.25 3.43 -0.13 0.00 -1.13 -3.30 105.19 105.29 1law n GLY 89 Ca 0.22 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1law n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1law n TRP 90 N -4.02 -2.35 -4.15 1.61 7.02 0.31 -4.99 117.44 110.86 1law n TRP 90 Ca -0.17 0.94 -0.15 0.00 -1.02 0.00 0.00 57.50 57.10 1law n TRP 90 Cb 0.63 -4.99 -0.11 0.00 -2.42 0.00 0.00 31.31 24.42 1law n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1law s LYS 91 N -5.63 0.78 0.84 -0.99 1.02 -1.21 -1.98 119.74 112.57 1law s LYS 91 Ca 0.18 -1.02 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 1law s LYS 91 Cb -0.08 -0.57 0.09 0.00 -0.52 0.00 0.00 37.83 36.75 1law s LYS 91 CO 0.71 0.11 1.16 0.95 -0.92 0.00 0.00 175.35 177.35 1law s THR 92 N -1.90 2.13 0.36 2.17 -4.23 -0.19 -4.84 115.64 109.14 1law s THR 92 Ca 0.00 0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.66 1law s THR 92 Cb -0.06 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.16 1law s THR 92 CO 0.01 -0.06 1.85 0.00 -0.54 0.00 0.00 174.62 175.88 1law h ALA 93 N -1.18 1.88 -0.53 3.99 0.00 -2.00 -1.84 119.26 119.57 1law h ALA 93 Ca -0.47 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1law h ALA 93 Cb 1.32 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1law h ALA 93 CO 0.64 -0.15 0.21 -0.40 0.00 0.00 0.00 179.25 179.55 1law n ASP 94 N -4.59 3.90 -2.10 0.00 5.75 -1.26 -4.91 116.55 113.34 1law n ASP 94 Ca 0.19 -2.85 -0.20 0.00 -0.01 0.00 0.00 54.79 51.92 1law n ASP 94 Cb 0.54 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 39.92 1law n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1law n LYS 95 N -0.07 -1.65 -3.99 0.11 4.76 -0.69 -5.01 118.16 111.62 1law n LYS 95 Ca 0.29 1.02 -0.21 0.00 -2.87 0.00 0.00 58.31 56.54 1law n LYS 95 Cb 1.09 -5.57 -0.02 0.00 -1.84 0.00 0.00 35.03 28.69 1law n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1law s LYS 96 N -4.54 3.36 0.39 1.97 1.02 -1.26 -4.85 119.74 115.83 1law s LYS 96 Ca 0.00 -0.80 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 1law s LYS 96 Cb 0.00 -2.84 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1law s LYS 96 CO 0.00 0.43 1.35 -2.14 -0.92 0.00 0.00 175.35 174.06 1law s PRO 97 N -3.94 4.06 0.76 -1.68 0.02 -1.26 -1.02 135.00 131.93 1law s PRO 97 Ca 0.34 2.27 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 1law s PRO 97 Cb -0.09 -2.86 0.06 0.00 0.02 0.00 0.00 34.50 31.62 1law s PRO 97 CO 0.28 -0.45 1.15 0.14 -0.33 0.00 0.00 177.00 177.79 1law s VAL 98 N -1.20 2.69 0.12 3.83 -7.23 -0.84 -4.78 120.40 113.00 1law s VAL 98 Ca 0.54 0.29 -0.31 0.00 -1.81 0.00 0.00 61.98 60.69 1law s VAL 98 Cb -0.40 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 1law s VAL 98 CO 0.53 -0.23 1.61 -0.75 -0.31 0.00 0.00 175.10 175.95 1law s LYS 99 N -4.31 4.21 -1.23 4.82 2.36 -1.26 -2.37 119.74 121.96 1law s LYS 99 Ca 0.68 2.35 0.00 0.00 -2.55 0.00 0.00 55.97 56.45 1law s LYS 99 Cb -0.23 -3.39 0.00 0.00 -1.05 0.00 0.00 37.83 33.16 1law s LYS 99 CO 0.49 -0.67 0.00 0.09 1.55 0.00 0.00 175.35 176.81 1law n ASN 100 N 4.83 -4.30 -0.09 1.43 3.02 -1.26 -4.90 115.26 113.99 1law n ASN 100 Ca 0.15 0.10 0.25 0.00 -0.03 0.00 0.00 54.58 55.04 1law n ASN 100 Cb 0.40 -3.32 0.71 0.00 -0.61 0.00 0.00 39.78 36.96 1law n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1law h VAL 101 N 0.00 0.62 0.05 2.41 3.04 -1.84 0.14 116.25 120.67 1law h VAL 101 Ca -0.30 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1law h VAL 101 Cb 1.12 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1law h VAL 101 CO 0.38 0.00 -0.02 -2.24 -1.01 0.00 0.00 177.57 174.68 1law h ASP 102 N 0.00 -0.06 -0.15 3.17 2.03 -1.90 -0.62 116.42 118.89 1law h ASP 102 Ca 0.34 -0.05 -0.05 0.00 -0.73 0.00 0.00 57.03 56.54 1law h ASP 102 Cb 1.39 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1law h ASP 102 CO -0.00 0.01 -0.11 -0.07 -1.03 0.00 0.00 179.24 178.04 1law h LEU 103 N -0.12 0.36 -0.99 0.15 3.38 -1.21 -2.19 115.31 114.69 1law h LEU 103 Ca -0.01 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1law h LEU 103 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1law h LEU 103 CO 0.01 0.73 0.16 -0.50 0.09 0.00 0.00 178.44 178.93 1law h TRP 104 N -0.01 0.92 -0.27 1.13 4.06 -0.93 0.37 115.95 121.22 1law h TRP 104 Ca 0.03 -0.08 -0.15 0.00 2.06 0.00 0.00 58.89 60.75 1law h TRP 104 Cb 0.61 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1law h TRP 104 CO 0.07 0.75 -0.43 1.96 -3.56 0.00 0.00 178.44 177.24 1law h GLN 105 N 0.86 0.67 0.04 0.49 4.20 -1.14 -0.20 115.11 120.03 1law h GLN 105 Ca 0.19 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1law h GLN 105 Cb 0.28 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1law h GLN 105 CO -0.00 0.97 -0.02 -0.09 -0.67 0.00 0.00 178.83 179.01 1law h ARG 106 N 0.54 -0.06 -0.32 1.46 2.43 -0.97 -0.58 114.38 116.89 1law h ARG 106 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1law h ARG 106 Cb 0.96 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1law h ARG 106 CO 0.09 0.03 0.21 1.25 -1.51 0.00 0.00 179.97 180.03 1law h LEU 107 N -0.13 0.37 -0.73 3.80 5.85 -0.89 -2.84 115.31 120.75 1law h LEU 107 Ca -0.01 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1law h LEU 107 Cb 0.11 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 1law h LEU 107 CO 0.01 0.29 0.27 -0.78 -0.34 0.00 0.00 178.44 177.89 1law h ASP 108 N 0.43 0.24 -0.77 1.25 3.58 -0.76 -0.41 116.42 119.97 1law h ASP 108 Ca 0.12 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 1law h ASP 108 Cb -0.03 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1law h ASP 108 CO -0.02 0.09 0.31 0.00 -2.88 0.00 0.00 179.24 176.74 1law h ALA 109 N 1.53 1.09 -0.10 -0.78 0.00 -0.87 -2.69 119.26 117.44 1law h ALA 109 Ca 0.39 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1law h ALA 109 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1law h ALA 109 CO -0.40 0.65 -0.60 0.00 0.00 0.00 0.00 179.25 178.90 1law h ALA 110 N 1.21 0.78 -0.36 0.00 0.00 -1.29 -3.28 119.26 116.31 1law h ALA 110 Ca 0.26 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1law h ALA 110 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1law h ALA 110 CO -0.02 0.72 -0.34 -0.07 0.00 0.00 0.00 179.25 179.54 1law h LEU 111 N 0.26 0.93 0.00 0.00 3.38 -0.98 -3.18 115.31 115.71 1law h LEU 111 Ca -0.01 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1law h LEU 111 Cb 1.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1law h LEU 111 CO 0.10 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1law n GLY 112 N 0.12 -0.50 0.38 0.83 0.00 -1.02 -2.21 105.19 102.79 1law n GLY 112 Ca -0.03 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1law n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1law n GLN 113 N -1.01 0.95 -4.25 1.61 1.13 -1.20 -5.02 117.38 109.59 1law n GLN 113 Ca 0.11 -0.76 -0.16 0.00 -1.94 0.00 0.00 57.00 54.25 1law n GLN 113 Cb 0.06 -1.48 -0.09 0.00 0.11 0.00 0.00 30.24 28.83 1law n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1law s HIS 114 N -2.57 1.46 -0.33 1.08 3.76 -0.94 -4.29 115.29 113.46 1law s HIS 114 Ca 0.17 -1.51 -0.12 0.00 -0.15 0.00 0.00 55.06 53.46 1law s HIS 114 Cb 0.18 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.20 1law s HIS 114 CO 0.61 -0.73 0.21 -0.65 -0.85 0.00 0.00 174.74 173.33 1law s GLN 115 N -3.82 3.45 -0.13 1.40 -0.21 -0.22 -4.99 119.66 115.15 1law s GLN 115 Ca 0.40 -0.66 -0.02 0.00 0.02 0.00 0.00 55.36 55.10 1law s GLN 115 Cb 0.05 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 1law s GLN 115 CO 0.19 -0.42 -0.05 0.42 -2.12 0.00 0.00 175.29 173.31 1law s ILE 116 N 1.68 3.78 -0.25 1.08 1.01 -1.26 -0.08 121.20 127.17 1law s ILE 116 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1law s ILE 116 Cb -0.17 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1law s ILE 116 CO 0.09 0.53 -0.09 -0.75 0.00 0.00 0.00 174.94 174.72 1law s LYS 117 N -0.03 2.60 -0.04 2.79 2.20 -0.08 -4.98 119.74 122.21 1law s LYS 117 Ca 0.01 -1.12 -0.17 0.00 -0.36 0.00 0.00 55.97 54.32 1law s LYS 117 Cb -0.13 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 1law s LYS 117 CO 0.03 -0.46 0.46 -1.58 -0.36 0.00 0.00 175.35 173.45 1law s TRP 118 N 1.23 3.65 -0.28 4.03 0.52 -1.26 -0.97 118.94 125.87 1law s TRP 118 Ca -0.03 1.00 -0.00 0.00 0.02 0.00 0.00 56.10 57.09 1law s TRP 118 Cb -0.18 -2.43 0.08 0.00 -1.15 0.00 0.00 33.47 29.79 1law s TRP 118 CO -0.06 0.44 0.04 -2.00 0.02 0.00 0.00 176.95 175.40 1law s GLU 119 N -0.38 1.02 -0.48 4.98 2.12 0.65 -4.93 118.70 121.67 1law s GLU 119 Ca 0.26 -1.04 -0.26 0.00 0.36 0.00 0.00 54.97 54.29 1law s GLU 119 Cb -0.17 -2.31 0.03 0.00 0.26 0.00 0.00 34.13 31.95 1law s GLU 119 CO 0.13 -0.83 0.95 -1.58 -0.54 0.00 0.00 175.26 173.39 1law s TRP 120 N 1.52 2.88 0.47 5.30 0.23 -1.26 -2.36 118.94 125.72 1law s TRP 120 Ca 0.04 0.34 0.02 0.00 -2.03 0.00 0.00 56.10 54.47 1law s TRP 120 Cb -0.18 -4.03 0.01 0.00 0.03 0.00 0.00 33.47 29.30 1law s TRP 120 CO -0.15 -1.17 0.68 0.14 0.96 0.00 0.00 176.95 177.41 1law s VAL 121 N 3.87 3.46 -0.08 4.03 -7.23 -0.24 -4.97 120.40 119.24 1law s VAL 121 Ca 0.37 -0.64 -0.15 0.00 -1.81 0.00 0.00 61.98 59.75 1law s VAL 121 Cb -0.10 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.52 1law s VAL 121 CO 0.26 -0.17 0.38 -0.54 -0.31 0.00 0.00 175.10 174.71 1law s LYS 122 N -4.58 4.09 0.20 4.82 -0.14 -1.26 -4.19 119.74 118.68 1law s LYS 122 Ca 0.52 0.31 -0.03 0.00 -1.36 0.00 0.00 55.97 55.40 1law s LYS 122 Cb -0.10 -3.33 0.38 0.00 -1.68 0.00 0.00 37.83 33.10 1law s LYS 122 CO 0.37 0.44 1.08 0.41 -0.76 0.00 0.00 175.35 176.89 1law n GLY 123 N 2.60 -1.09 1.45 -3.33 0.00 -1.26 0.12 105.19 103.68 1law n GLY 123 Ca -0.12 0.72 0.08 0.00 0.00 0.00 0.00 46.02 46.70 1law n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1law n HIS 124 N -5.06 1.33 -2.73 1.61 1.44 -1.26 -4.47 115.22 106.08 1law n HIS 124 Ca 0.13 -0.53 -0.04 0.00 -2.01 0.00 0.00 57.72 55.27 1law n HIS 124 Cb 0.40 -0.22 0.08 0.00 0.12 0.00 0.00 29.99 30.37 1law n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1law n ALA 125 N 0.99 2.60 -2.35 1.59 0.00 0.31 -5.13 120.51 118.53 1law n ALA 125 Ca 0.23 -2.09 -0.09 0.00 0.00 0.00 0.00 53.44 51.49 1law n ALA 125 Cb 0.81 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.40 1law n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1law n GLY 126 N -0.74 0.66 3.96 0.00 0.00 -1.12 -4.36 105.19 103.59 1law n GLY 126 Ca -0.01 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 1law n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1law s HIS 127 N -1.05 2.42 0.58 1.61 3.76 -1.26 -4.89 115.29 116.46 1law s HIS 127 Ca 0.25 0.06 0.28 0.00 -0.15 0.00 0.00 55.06 55.50 1law s HIS 127 Cb -0.01 -3.03 1.58 0.00 1.11 0.00 0.00 32.58 32.22 1law s HIS 127 CO 0.17 -1.38 2.06 -1.35 -0.85 0.00 0.00 174.74 173.38 1law h PRO 128 N -0.40 0.00 -0.50 8.40 0.11 -1.99 0.72 132.00 138.34 1law h PRO 128 Ca -0.41 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1law h PRO 128 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1law h PRO 128 CO 0.50 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 179.12 1law h GLU 129 N 0.00 0.94 -0.45 1.05 3.07 -2.00 -1.64 114.58 115.56 1law h GLU 129 Ca 0.12 -0.35 -0.09 0.00 -0.50 0.00 0.00 59.36 58.54 1law h GLU 129 Cb 0.64 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1law h GLU 129 CO -0.00 1.01 -0.09 -0.91 -1.40 0.00 0.00 179.01 177.62 1law h ASN 130 N 0.80 0.78 -0.20 1.42 4.21 -1.20 -2.24 115.58 119.15 1law h ASN 130 Ca 0.13 -0.23 -0.11 0.00 1.21 0.00 0.00 56.30 57.30 1law h ASN 130 Cb 0.65 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1law h ASN 130 CO 0.04 0.91 -0.26 -0.33 -1.29 0.00 0.00 177.43 176.50 1law h GLU 131 N 0.72 0.67 -0.69 0.81 5.08 -1.40 -1.42 114.58 118.35 1law h GLU 131 Ca 0.12 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1law h GLU 131 Cb 0.57 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1law h GLU 131 CO 0.04 0.86 0.14 -0.09 -1.00 0.00 0.00 179.01 178.96 1law h ARG 132 N 0.58 1.12 -0.46 2.33 2.43 -1.04 -1.55 114.38 117.79 1law h ARG 132 Ca 0.08 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1law h ARG 132 Cb 0.75 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1law h ARG 132 CO 0.06 1.00 0.21 0.00 -1.51 0.00 0.00 179.97 179.74 1law h ASP 134 N 0.60 0.31 -0.46 0.00 3.58 -1.09 0.15 116.42 119.51 1law h ASP 134 Ca 0.16 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1law h ASP 134 Cb 0.13 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1law h ASP 134 CO -0.02 0.21 0.16 -0.08 -2.88 0.00 0.00 179.24 176.63 1law h GLU 135 N 0.47 0.70 -0.24 0.28 4.81 -0.70 -0.47 114.58 119.43 1law h GLU 135 Ca 0.26 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1law h GLU 135 Cb 0.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1law h GLU 135 CO -0.22 0.66 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.64 1law h LEU 136 N 0.60 0.43 -0.29 1.64 3.38 -0.60 -2.00 115.31 118.48 1law h LEU 136 Ca 0.15 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1law h LEU 136 Cb 0.24 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1law h LEU 136 CO -0.01 0.65 -0.04 0.00 0.09 0.00 0.00 178.44 179.13 1law h ALA 137 N 0.80 0.22 -0.70 1.53 0.00 -0.49 -0.32 119.26 120.30 1law h ALA 137 Ca 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1law h ALA 137 Cb 0.43 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1law h ALA 137 CO 0.01 -0.44 0.32 0.00 0.00 0.00 0.00 179.25 179.14 1law h ARG 138 N 0.04 1.03 -0.02 0.00 3.08 -1.05 -2.66 114.38 114.80 1law h ARG 138 Ca 0.14 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1law h ARG 138 Cb 0.20 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1law h ARG 138 CO -0.27 0.82 0.01 0.00 -1.07 0.00 0.00 179.97 179.46 1law h ALA 139 N 1.15 0.02 -0.67 0.04 0.00 -0.93 -3.09 119.26 115.78 1law h ALA 139 Ca 0.24 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1law h ALA 139 Cb 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1law h ALA 139 CO -0.03 -0.44 0.26 0.00 0.00 0.00 0.00 179.25 179.04 1law h ALA 140 N 0.94 0.89 0.00 0.00 0.00 -0.96 -2.26 119.26 117.86 1law h ALA 140 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1law h ALA 140 Cb 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1law h ALA 140 CO -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 179.25 179.03 1law h ALA 141 N 1.46 1.27 -0.01 0.00 0.00 -1.39 -0.49 119.26 120.11 1law h ALA 141 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1law h ALA 141 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1law h ALA 141 CO -0.33 0.06 -0.13 -1.33 0.00 0.00 0.00 179.25 177.51 1law n MET 142 N -3.54 0.81 -2.92 0.00 2.81 -0.86 -4.27 117.12 109.16 1law n MET 142 Ca -0.02 -0.34 -0.14 0.00 -1.81 0.00 0.00 57.70 55.39 1law n MET 142 Cb 0.15 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.19 1law n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1law n ASN 143 N -0.80 -1.39 -4.72 7.83 2.85 -0.21 -5.12 115.26 113.70 1law n ASN 143 Ca 0.15 -3.24 -0.42 0.00 -0.11 0.00 0.00 54.58 50.96 1law n ASN 143 Cb 0.29 0.88 -0.03 0.00 1.24 0.00 0.00 39.78 42.16 1law n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1law s PRO 144 N -0.42 4.24 -0.05 1.20 0.04 -1.13 -4.56 135.00 134.32 1law s PRO 144 Ca 0.31 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.69 1law s PRO 144 Cb 0.26 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 1law s PRO 144 CO -0.13 -0.54 -0.01 0.25 0.04 0.00 0.00 177.00 176.61 1law n THR 145 N 3.59 0.34 -2.77 1.26 -2.24 -0.78 -4.79 114.28 108.90 1law n THR 145 Ca 0.12 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1law n THR 145 Cb 0.39 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 67.84 1law n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1law s LEU 146 N -4.74 3.41 -0.16 3.22 1.43 -0.38 -4.91 118.68 116.55 1law s LEU 146 Ca -0.05 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1law s LEU 146 Cb 0.02 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1law s LEU 146 CO 0.18 -0.98 0.00 -0.70 0.23 0.00 0.00 176.35 175.08 1law s GLU 147 N -4.69 3.75 -0.77 1.70 2.12 -1.26 -1.25 118.70 118.30 1law s GLU 147 Ca 0.54 -0.44 -0.16 0.00 0.36 0.00 0.00 54.97 55.26 1law s GLU 147 Cb -0.10 -3.02 0.16 0.00 0.26 0.00 0.00 34.13 31.43 1law s GLU 147 CO 0.38 0.29 0.81 0.34 -0.54 0.00 0.00 175.26 176.54 1law s ASP 148 N 0.27 6.54 0.04 -1.70 -1.08 -1.26 -4.91 116.67 114.57 1law s ASP 148 Ca -0.00 -2.16 -0.22 0.00 -0.52 0.00 0.00 52.55 49.65 1law s ASP 148 Cb -0.13 -2.27 -0.12 0.00 -1.46 0.00 0.00 42.92 38.93 1law s ASP 148 CO 0.02 -0.84 1.33 0.74 0.52 0.00 0.00 175.17 176.94 1law h THR 149 N 5.40 0.00 0.00 1.71 2.02 -1.97 -2.95 112.91 117.12 1law h THR 149 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1law h THR 149 Cb 1.05 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1law h THR 149 CO 0.94 0.00 0.58 1.23 0.37 0.00 0.00 175.52 178.64 1law h GLY 150 N -0.77 0.00 -4.40 2.16 0.00 -1.99 -3.42 103.07 94.64 1law h GLY 150 Ca -0.08 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.73 1law h GLY 150 CO 0.12 0.00 0.65 -0.47 0.00 0.00 0.00 176.54 176.84 1law s TYR 151 N -3.25 3.30 -0.00 5.60 5.04 -1.12 -4.98 117.35 121.95 1law s TYR 151 Ca -0.01 1.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.79 1law s TYR 151 Cb 0.02 -3.58 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 1law s TYR 151 CO 0.06 -1.90 -0.08 -0.65 -1.34 0.00 0.00 175.55 171.64 1law s GLN 152 N 0.59 0.61 0.44 4.97 -0.21 -1.26 -5.00 119.66 119.79 1law s GLN 152 Ca 0.60 -0.32 0.24 0.00 0.02 0.00 0.00 55.36 55.90 1law s GLN 152 Cb -0.35 -0.57 0.84 0.00 1.00 0.00 0.00 33.01 33.93 1law s GLN 152 CO 0.33 0.15 1.79 0.28 -2.12 0.00 0.00 175.29 175.72 1law h VAL 153 N 4.91 0.47 0.00 1.09 2.07 -2.01 -3.42 116.25 119.36 1law h VAL 153 Ca -0.30 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1law h VAL 153 Cb 1.19 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1law h VAL 153 CO 0.49 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.66 1law n GLU 154 N -3.31 0.00 0.00 1.57 4.71 -1.26 -5.18 120.64 117.17 1law n GLU 154 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1law n GLU 154 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 1law n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50