#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drz s TRP 45 N 0.00 3.85 -0.05 5.64 0.52 -1.26 -1.00 118.94 126.64 3drz s TRP 45 Ca 0.00 1.60 0.03 0.00 0.02 0.00 0.00 56.10 57.75 3drz s TRP 45 Cb 0.00 -2.81 0.01 0.00 -1.15 0.00 0.00 33.47 29.52 3drz s TRP 45 CO 0.00 0.41 -0.11 0.08 0.02 0.00 0.00 176.95 177.35 3drz s VAL 46 N -0.71 1.03 -0.10 4.03 1.01 0.70 -4.89 120.40 121.47 3drz s VAL 46 Ca 0.38 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3drz s VAL 46 Cb -0.22 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3drz s VAL 46 CO 0.26 0.32 -0.01 -0.13 0.00 0.00 0.00 175.10 175.53 3drz s ARG 47 N 0.47 3.09 -0.08 2.72 0.52 -1.26 -0.97 118.95 123.44 3drz s ARG 47 Ca -0.10 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 3drz s ARG 47 Cb -0.13 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 3drz s ARG 47 CO 0.02 0.61 -0.21 -0.51 0.02 0.00 0.00 175.30 175.23 3drz s LEU 48 N -0.63 1.98 -0.69 2.53 1.43 0.12 -1.31 118.68 122.11 3drz s LEU 48 Ca 0.10 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 3drz s LEU 48 Cb -0.12 -1.23 0.18 0.00 0.03 0.00 0.00 46.19 45.05 3drz s LEU 48 CO 0.02 0.15 0.61 0.21 0.23 0.00 0.00 176.35 177.57 3drz s ASN 49 N 0.26 6.31 -0.56 2.29 3.84 0.11 -0.36 114.94 126.82 3drz s ASN 49 Ca -0.13 -2.39 -0.18 0.00 0.21 0.00 0.00 52.86 50.37 3drz s ASN 49 Cb -0.16 -2.14 0.10 0.00 -0.55 0.00 0.00 41.25 38.49 3drz s ASN 49 CO 0.06 -0.64 0.63 -0.69 -2.79 0.00 0.00 177.10 173.68 3drz s VAL 50 N 0.65 4.92 -1.79 -5.21 1.01 0.06 -0.98 120.40 119.06 3drz s VAL 50 Ca 0.12 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3drz s VAL 50 Cb -0.18 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3drz s VAL 50 CO -0.04 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.69 3drz n GLY 51 N 5.25 1.64 0.00 4.51 0.00 0.43 -2.09 105.19 114.93 3drz n GLY 51 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3drz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drz n GLY 52 N -0.90 0.62 3.50 -0.02 0.00 -1.26 -4.87 105.19 102.26 3drz n GLY 52 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3drz n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3drz s THR 53 N -2.00 3.83 0.10 2.61 2.01 -0.89 -5.08 115.64 116.22 3drz s THR 53 Ca 0.00 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.37 3drz s THR 53 Cb 0.00 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 69.78 3drz s THR 53 CO 0.00 0.51 0.73 -0.31 -0.69 0.00 0.00 174.62 174.85 3drz s TYR 54 N 0.25 3.83 -0.03 4.92 2.02 -1.26 -0.76 117.35 126.32 3drz s TYR 54 Ca -0.03 1.50 0.07 0.00 -0.37 0.00 0.00 57.07 58.23 3drz s TYR 54 Cb -0.14 -2.73 -0.01 0.00 -0.40 0.00 0.00 41.96 38.68 3drz s TYR 54 CO 0.03 0.44 -0.23 -0.06 -1.57 0.00 0.00 175.55 174.17 3drz s PHE 55 N -0.74 2.08 -0.19 2.71 0.08 0.51 -4.97 117.98 117.46 3drz s PHE 55 Ca 0.35 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.90 3drz s PHE 55 Cb -0.21 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3drz s PHE 55 CO 0.23 -0.08 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.05 3drz s LEU 56 N -0.40 3.01 0.00 -0.37 2.96 -1.26 -0.71 118.68 121.92 3drz s LEU 56 Ca 0.05 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3drz s LEU 56 Cb -0.10 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3drz s LEU 56 CO 0.00 0.06 0.00 1.07 -1.32 0.00 0.00 176.35 176.17 3drz n THR 57 N 4.23 0.00 -4.33 3.68 5.66 -0.14 -5.00 114.28 118.37 3drz n THR 57 Ca -0.18 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.65 3drz n THR 57 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3drz n THR 57 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3drz s THR 58 N -1.62 1.53 0.28 1.09 -4.23 -1.26 -0.21 115.64 111.22 3drz s THR 58 Ca 0.00 -2.15 -0.03 0.00 -1.18 0.00 0.00 61.69 58.33 3drz s THR 58 Cb 0.00 -2.07 0.26 0.00 1.34 0.00 0.00 72.50 72.03 3drz s THR 58 CO 0.00 -0.57 1.94 0.03 -0.54 0.00 0.00 174.62 175.48 3drz h ARG 59 N 2.57 1.18 -0.75 3.99 3.08 -1.38 -1.80 114.38 121.26 3drz h ARG 59 Ca -0.38 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 59.68 3drz h ARG 59 Cb 1.22 -0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.93 3drz h ARG 59 CO 0.63 0.78 0.41 0.37 -1.07 0.00 0.00 179.97 181.09 3drz h GLN 60 N 1.21 0.70 -0.08 0.04 4.15 -1.88 0.25 115.11 119.50 3drz h GLN 60 Ca 0.35 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 3drz h GLN 60 Cb -0.08 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.45 3drz h GLN 60 CO -0.09 0.46 -0.02 1.15 -1.93 0.00 0.00 178.83 178.41 3drz h THR 61 N 0.72 1.29 0.00 2.39 2.02 -1.73 -2.99 112.91 114.61 3drz h THR 61 Ca 0.35 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3drz h THR 61 Cb 0.30 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3drz h THR 61 CO -0.23 0.25 0.00 -0.07 0.37 0.00 0.00 175.52 175.84 3drz h LEU 62 N -0.18 0.00 -0.11 2.58 3.38 -0.95 -2.23 115.31 117.80 3drz h LEU 62 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3drz h LEU 62 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3drz h LEU 62 CO 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.42 3drz h ARG 64 N 0.27 0.52 -4.37 0.00 2.43 -1.31 -3.29 114.38 108.63 3drz h ARG 64 Ca 0.00 -0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.46 3drz h ARG 64 Cb 0.40 -0.12 -0.37 0.00 -0.42 0.00 0.00 29.97 29.46 3drz h ARG 64 CO 0.00 0.34 -0.60 0.34 -1.51 0.00 0.00 179.97 178.54 3drz s ASP 65 N -5.40 4.99 0.66 -3.80 -1.08 -1.26 -4.97 116.67 105.81 3drz s ASP 65 Ca -0.12 -2.26 0.42 0.00 -0.52 0.00 0.00 52.55 50.07 3drz s ASP 65 Cb 0.20 -1.74 2.31 0.00 -1.46 0.00 0.00 42.92 42.23 3drz s ASP 65 CO 0.77 -0.44 2.32 1.55 0.52 0.00 0.00 175.17 179.89 3drz h PRO 66 N 7.64 0.00 0.00 4.34 0.13 -1.90 -0.32 132.00 141.88 3drz h PRO 66 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3drz h PRO 66 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3drz h PRO 66 CO 0.63 0.00 -0.13 1.63 -0.23 0.00 0.00 178.00 179.91 3drz n LYS 67 N -3.12 0.07 -2.14 0.86 5.02 -1.26 -4.74 118.16 112.85 3drz n LYS 67 Ca -0.03 0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 3drz n LYS 67 Cb 0.11 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3drz n LYS 67 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3drz s SER 68 N -3.40 5.94 0.50 4.39 0.15 -0.13 -4.90 113.70 116.24 3drz s SER 68 Ca 0.12 1.81 0.29 0.00 0.70 0.00 0.00 55.95 58.87 3drz s SER 68 Cb 0.17 -2.53 1.39 0.00 -1.71 0.00 0.00 66.02 63.33 3drz s SER 68 CO 0.59 -1.06 1.84 0.15 1.20 0.00 0.00 173.24 175.96 3drz h PHE 69 N 0.62 0.18 0.00 3.44 3.57 -1.38 -1.86 116.94 121.52 3drz h PHE 69 Ca -0.47 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 3drz h PHE 69 Cb 1.22 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 3drz h PHE 69 CO 0.59 0.03 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.52 3drz h LEU 70 N 0.12 0.00 -1.40 0.59 3.38 -1.88 -3.29 115.31 112.83 3drz h LEU 70 Ca 0.50 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.64 3drz h LEU 70 Cb 1.75 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.43 3drz h LEU 70 CO -0.08 0.11 0.58 0.22 0.09 0.00 0.00 178.44 179.36 3drz h TYR 71 N 0.00 0.67 0.00 1.13 3.20 -1.44 -0.17 116.97 120.37 3drz h TYR 71 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3drz h TYR 71 Cb 1.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3drz h TYR 71 CO 0.00 0.21 0.00 0.07 -1.64 0.00 0.00 178.16 176.80 3drz h ARG 72 N 0.53 0.00 -0.12 1.82 -0.00 -1.77 -2.50 114.38 112.35 3drz h ARG 72 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.44 3drz h ARG 72 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 3drz h ARG 72 CO -0.20 0.00 0.00 1.28 -0.00 0.00 0.00 179.97 181.05 3drz n LEU 73 N -2.55 2.20 -0.47 0.08 4.32 -0.08 -4.16 117.00 116.35 3drz n LEU 73 Ca -0.01 -0.83 0.05 0.00 -0.02 0.00 0.00 56.01 55.21 3drz n LEU 73 Cb 0.12 -0.07 0.14 0.00 -1.62 0.00 0.00 43.42 41.99 3drz n LEU 73 CO 0.17 0.41 0.61 0.00 -1.22 0.00 0.00 177.39 177.36 3drz h GLN 75 N 1.22 0.00 0.00 0.00 1.08 -1.73 -3.45 115.11 112.23 3drz h GLN 75 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3drz h GLN 75 Cb 0.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 3drz h GLN 75 CO 0.05 0.00 0.00 0.43 -0.95 0.00 0.00 178.83 178.36 3drz n SER 82 N -3.40 -0.05 -4.80 1.46 7.64 -1.26 -5.06 113.62 108.15 3drz n SER 82 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 3drz n SER 82 Cb 0.08 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 3drz n SER 82 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3drz s ASP 83 N -0.05 6.23 0.07 6.43 -0.00 -1.26 -4.93 116.67 123.16 3drz s ASP 83 Ca 0.00 1.92 0.05 0.00 -0.00 0.00 0.00 52.55 54.52 3drz s ASP 83 Cb 0.00 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.34 3drz s ASP 83 CO 0.00 -0.86 -0.15 -0.54 -0.00 0.00 0.00 175.17 173.62 3drz s LYS 84 N -3.38 0.88 0.76 8.23 1.02 -1.26 -0.92 119.74 125.07 3drz s LYS 84 Ca 0.67 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.66 3drz s LYS 84 Cb -0.16 -0.92 0.16 0.00 -0.52 0.00 0.00 37.83 36.39 3drz s LYS 84 CO 0.23 0.21 1.04 -0.40 -0.92 0.00 0.00 175.35 175.51 3drz n ASP 85 N 1.35 0.87 0.15 2.83 5.68 -0.62 -4.89 116.55 121.92 3drz n ASP 85 Ca -0.20 -1.86 0.10 0.00 -0.50 0.00 0.00 54.79 52.33 3drz n ASP 85 Cb 0.54 -0.72 0.53 0.00 -1.14 0.00 0.00 41.12 40.33 3drz n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3drz n GLU 86 N -3.03 0.14 0.00 0.11 -0.00 -1.26 -0.30 120.64 116.30 3drz n GLU 86 Ca 0.15 0.59 0.14 0.00 -0.00 0.00 0.00 57.16 58.04 3drz n GLU 86 Cb 0.55 -1.91 0.54 0.00 -0.00 0.00 0.00 31.44 30.62 3drz n GLU 86 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3drz n THR 87 N -2.20 0.00 -0.78 3.84 -2.24 -1.26 -4.92 114.28 106.71 3drz n THR 87 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3drz n THR 87 Cb 0.07 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3drz n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3drz n GLY 88 N 1.21 0.73 3.76 3.38 0.00 0.59 -5.04 105.19 109.83 3drz n GLY 88 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3drz n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drz s ALA 89 N -2.70 3.32 0.20 4.61 0.00 -1.26 -4.68 121.76 121.25 3drz s ALA 89 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 3drz s ALA 89 Cb 0.00 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3drz s ALA 89 CO 0.00 0.16 1.15 0.71 0.00 0.00 0.00 175.76 177.78 3drz s TYR 90 N -1.25 3.50 -0.09 0.00 2.02 -0.43 -1.58 117.35 119.52 3drz s TYR 90 Ca 0.43 1.53 -0.19 0.00 -0.37 0.00 0.00 57.07 58.47 3drz s TYR 90 Cb -0.25 -3.36 -0.04 0.00 -0.40 0.00 0.00 41.96 37.91 3drz s TYR 90 CO 0.32 -0.90 0.54 -0.51 -1.57 0.00 0.00 175.55 173.42 3drz s LEU 91 N -0.53 4.31 -0.06 -1.29 1.43 -0.10 0.04 118.68 122.49 3drz s LEU 91 Ca 0.50 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.54 3drz s LEU 91 Cb -0.32 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.13 3drz s LEU 91 CO 0.37 -0.00 -0.02 -0.63 0.23 0.00 0.00 176.35 176.30 3drz s ILE 92 N 0.51 0.44 -1.31 -0.59 1.01 -0.15 -4.75 121.20 116.36 3drz s ILE 92 Ca 0.29 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 3drz s ILE 92 Cb -0.16 -0.54 0.14 0.00 0.01 0.00 0.00 42.46 41.91 3drz s ILE 92 CO 0.13 0.24 2.16 -0.67 0.00 0.00 0.00 174.94 176.80 3drz n ASP 93 N 4.60 6.69 -4.11 3.58 2.03 -1.26 -0.43 116.55 127.65 3drz n ASP 93 Ca -0.16 -3.12 -0.11 0.00 0.52 0.00 0.00 54.79 51.92 3drz n ASP 93 Cb 0.50 -1.42 -0.08 0.00 -0.72 0.00 0.00 41.12 39.40 3drz n ASP 93 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3drz s ARG 94 N -0.39 1.23 -0.02 -0.67 1.81 -1.26 -4.94 118.95 114.71 3drz s ARG 94 Ca 0.48 -1.45 -0.30 0.00 -1.72 0.00 0.00 55.73 52.74 3drz s ARG 94 Cb 0.14 0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 34.93 3drz s ARG 94 CO -0.05 -0.43 1.25 0.34 -0.68 0.00 0.00 175.30 175.73 3drz s ASP 95 N -3.08 7.01 0.42 0.23 -1.08 -1.26 -2.47 116.67 116.44 3drz s ASP 95 Ca 0.30 1.93 0.23 0.00 -0.52 0.00 0.00 52.55 54.48 3drz s ASP 95 Cb 0.05 -2.56 0.70 0.00 -1.46 0.00 0.00 42.92 39.65 3drz s ASP 95 CO 0.08 -0.60 1.73 1.55 0.52 0.00 0.00 175.17 178.45 3drz h PRO 96 N 7.42 0.00 -0.36 4.34 0.13 -1.90 -2.93 132.00 138.71 3drz h PRO 96 Ca -0.36 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.63 3drz h PRO 96 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3drz h PRO 96 CO 0.87 0.22 -0.32 1.15 -0.23 0.00 0.00 178.00 179.70 3drz h THR 97 N 0.00 1.28 0.00 1.56 2.02 -1.91 -2.39 112.91 113.47 3drz h THR 97 Ca -0.00 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.69 3drz h THR 97 Cb 0.89 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3drz h THR 97 CO 0.03 0.49 -0.02 -1.22 0.37 0.00 0.00 175.52 175.17 3drz n TYR 98 N -4.16 0.45 0.03 3.16 4.02 -1.23 -3.04 117.16 116.38 3drz n TYR 98 Ca -0.03 0.13 -0.04 0.00 -0.01 0.00 0.00 57.90 57.95 3drz n TYR 98 Cb 0.50 -0.71 0.18 0.00 -0.02 0.00 0.00 39.34 39.29 3drz n TYR 98 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3drz h PHE 99 N 0.00 0.51 -0.32 -0.72 3.04 -1.23 -3.32 116.94 114.91 3drz h PHE 99 Ca 0.00 -0.13 0.06 0.00 3.98 0.00 0.00 57.97 61.88 3drz h PHE 99 Cb 0.62 -0.12 -0.08 0.00 2.56 0.00 0.00 35.95 38.92 3drz h PHE 99 CO 0.00 0.73 -0.40 0.78 -2.02 0.00 0.00 178.31 177.41 3drz h GLY 100 N 1.08 -0.52 2.00 2.40 0.00 -1.45 0.40 103.07 106.98 3drz h GLY 100 Ca 0.04 0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 3drz h GLY 100 CO 0.06 -0.20 -0.21 -2.55 0.00 0.00 0.00 176.54 173.64 3drz h PRO 101 N -0.36 0.00 -0.08 4.80 0.11 -1.78 -0.31 132.00 134.38 3drz h PRO 101 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3drz h PRO 101 Cb 0.58 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 3drz h PRO 101 CO -0.51 0.21 0.00 0.28 -0.21 0.00 0.00 178.00 177.77 3drz h VAL 102 N 0.00 1.24 -0.22 3.15 2.07 -1.09 -1.02 116.25 120.39 3drz h VAL 102 Ca -0.00 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 3drz h VAL 102 Cb 0.54 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3drz h VAL 102 CO 0.03 0.21 -0.30 0.25 0.02 0.00 0.00 177.57 177.78 3drz h LEU 103 N -0.13 0.44 -0.59 2.57 5.85 -0.81 -1.99 115.31 120.64 3drz h LEU 103 Ca 0.02 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3drz h LEU 103 Cb 0.33 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3drz h LEU 103 CO 0.00 0.72 0.06 -1.13 -0.34 0.00 0.00 178.44 177.76 3drz h ASN 104 N 0.38 0.97 -0.88 1.25 -1.24 -0.99 -0.44 115.58 114.62 3drz h ASN 104 Ca 0.05 -0.28 0.01 0.00 0.71 0.00 0.00 56.30 56.80 3drz h ASN 104 Cb 0.72 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.46 3drz h ASN 104 CO 0.05 1.00 0.58 0.22 -1.29 0.00 0.00 177.43 178.00 3drz h TYR 105 N 0.90 1.10 -0.28 0.67 3.20 -0.83 -0.01 116.97 121.72 3drz h TYR 105 Ca 0.18 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3drz h TYR 105 Cb 0.47 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3drz h TYR 105 CO 0.03 0.69 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.15 3drz h LEU 106 N 1.18 0.40 -0.19 2.82 3.38 -0.83 0.41 115.31 122.48 3drz h LEU 106 Ca 0.33 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3drz h LEU 106 Cb -0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3drz h LEU 106 CO -0.08 0.48 -0.16 0.03 0.09 0.00 0.00 178.44 178.81 3drz h ARG 107 N 0.41 0.45 0.00 1.13 3.08 -0.03 -3.41 114.38 116.01 3drz h ARG 107 Ca 0.09 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3drz h ARG 107 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3drz h ARG 107 CO 0.01 0.79 0.00 -2.39 -1.07 0.00 0.00 179.97 177.31 3drz n HIS 108 N -4.49 0.00 -0.96 3.04 1.44 -0.12 -5.03 115.22 109.09 3drz n HIS 108 Ca -0.05 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 3drz n HIS 108 Cb 0.38 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.47 3drz n HIS 108 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3drz n GLY 109 N -0.12 0.51 3.64 -1.39 0.00 0.14 -5.01 105.19 102.96 3drz n GLY 109 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3drz n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3drz s LYS 110 N -0.39 2.67 -0.29 1.61 -0.14 -1.26 -5.01 119.74 116.93 3drz s LYS 110 Ca 0.00 -0.67 -0.23 0.00 -1.36 0.00 0.00 55.97 53.71 3drz s LYS 110 Cb 0.00 -2.58 -0.00 0.00 -1.68 0.00 0.00 37.83 33.56 3drz s LYS 110 CO 0.00 0.61 0.78 -1.17 -0.76 0.00 0.00 175.35 174.81 3drz s LEU 111 N -1.48 4.08 -0.15 3.17 2.96 -1.26 -3.81 118.68 122.19 3drz s LEU 111 Ca 0.18 0.75 -0.00 0.00 -0.22 0.00 0.00 54.13 54.84 3drz s LEU 111 Cb -0.11 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.54 3drz s LEU 111 CO 0.09 -0.56 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.79 3drz s VAL 112 N 2.88 1.21 -0.14 1.68 1.01 -1.26 -5.10 120.40 120.68 3drz s VAL 112 Ca 0.32 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3drz s VAL 112 Cb -0.15 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3drz s VAL 112 CO 0.11 0.24 -0.07 -0.63 0.00 0.00 0.00 175.10 174.75 3drz s ILE 113 N 1.61 1.08 0.78 2.22 1.01 -1.26 -4.70 121.20 121.94 3drz s ILE 113 Ca 0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 3drz s ILE 113 Cb -0.14 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.22 3drz s ILE 113 CO -0.08 0.25 1.18 0.20 0.00 0.00 0.00 174.94 176.49 3drz s ASN 114 N 1.67 3.91 0.38 3.58 0.01 -1.26 -4.91 114.94 118.32 3drz s ASN 114 Ca 0.03 2.26 0.07 0.00 -0.71 0.00 0.00 52.86 54.51 3drz s ASN 114 Cb -0.14 -2.58 0.75 0.00 0.41 0.00 0.00 41.25 39.70 3drz s ASN 114 CO -0.08 -2.45 1.97 0.11 -1.51 0.00 0.00 177.10 175.14 3drz h LYS 115 N -0.76 0.48 0.00 -0.60 1.57 -2.05 -1.70 116.57 113.51 3drz h LYS 115 Ca -0.46 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.15 3drz h LYS 115 Cb 1.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3drz h LYS 115 CO 0.48 0.43 -0.49 0.38 -0.57 0.00 0.00 179.45 179.68 3drz h ASP 116 N 0.47 0.00 -3.35 0.86 3.04 -2.06 -3.46 116.42 111.93 3drz h ASP 116 Ca 0.11 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.35 3drz h ASP 116 Cb 0.16 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.41 3drz h ASP 116 CO -0.01 0.49 0.38 -0.22 -2.04 0.00 0.00 179.24 177.85 3drz s LEU 117 N -6.79 4.30 -0.12 0.15 2.96 -0.64 -4.99 118.68 113.55 3drz s LEU 117 Ca 0.02 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.12 3drz s LEU 117 Cb 0.10 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 3drz s LEU 117 CO 0.72 -0.30 1.49 0.00 -1.32 0.00 0.00 176.35 176.94 3drz s ALA 118 N 1.39 3.60 0.49 5.97 0.00 -1.26 -4.82 121.76 127.12 3drz s ALA 118 Ca 0.47 0.68 0.17 0.00 0.00 0.00 0.00 51.96 53.28 3drz s ALA 118 Cb -0.19 -3.71 1.20 0.00 0.00 0.00 0.00 23.12 20.42 3drz s ALA 118 CO 0.22 -1.37 2.04 0.93 0.00 0.00 0.00 175.76 177.58 3drz h GLU 119 N 9.12 0.17 0.00 0.00 5.08 -1.94 0.04 114.58 127.06 3drz h GLU 119 Ca -0.33 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3drz h GLU 119 Cb 1.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3drz h GLU 119 CO 0.97 0.11 -0.14 0.93 -1.00 0.00 0.00 179.01 179.88 3drz h GLU 120 N 0.17 0.00 -0.21 2.33 3.07 -1.96 0.78 114.58 118.76 3drz h GLU 120 Ca 0.18 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.84 3drz h GLU 120 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3drz h GLU 120 CO -0.03 0.14 -0.66 0.78 -1.40 0.00 0.00 179.01 177.84 3drz h GLY 121 N 0.76 0.85 1.57 -3.84 0.00 -1.37 -2.32 103.07 98.72 3drz h GLY 121 Ca -0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 47.33 46.04 3drz h GLY 121 CO 0.02 0.98 -0.78 -2.08 0.00 0.00 0.00 176.54 174.68 3drz h VAL 122 N 0.57 1.38 -0.59 4.60 2.07 -1.21 -2.92 116.25 120.14 3drz h VAL 122 Ca -0.02 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 3drz h VAL 122 Cb 1.27 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 3drz h VAL 122 CO 0.14 0.66 0.35 0.25 0.02 0.00 0.00 177.57 178.99 3drz h LEU 123 N 0.27 0.72 -0.88 2.57 5.85 -0.80 0.24 115.31 123.29 3drz h LEU 123 Ca -0.04 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3drz h LEU 123 Cb 1.37 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3drz h LEU 123 CO 0.13 0.58 0.57 -0.33 -0.34 0.00 0.00 178.44 179.05 3drz h GLU 124 N 0.80 1.07 -0.23 1.25 4.39 -1.30 -1.10 114.58 119.46 3drz h GLU 124 Ca 0.21 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 3drz h GLU 124 Cb -0.00 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 3drz h GLU 124 CO -0.04 0.71 -0.42 0.93 -1.16 0.00 0.00 179.01 179.03 3drz h GLU 125 N 1.10 0.69 -0.89 2.33 4.39 -1.30 -0.54 114.58 120.37 3drz h GLU 125 Ca 0.35 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.63 3drz h GLU 125 Cb -0.00 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 3drz h GLU 125 CO -0.12 1.06 0.59 0.00 -1.16 0.00 0.00 179.01 179.38 3drz h ALA 126 N 0.63 1.38 -0.29 3.43 0.00 -0.62 0.43 119.26 124.23 3drz h ALA 126 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3drz h ALA 126 Cb 1.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3drz h ALA 126 CO 0.10 0.56 -0.08 0.93 0.00 0.00 0.00 179.25 180.76 3drz h GLU 127 N 1.19 0.56 -0.51 0.00 5.08 -1.14 -1.62 114.58 118.14 3drz h GLU 127 Ca 0.33 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3drz h GLU 127 Cb -0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3drz h GLU 127 CO -0.08 0.76 0.33 0.35 -1.00 0.00 0.00 179.01 179.37 3drz h PHE 128 N 0.31 0.65 -0.00 4.33 3.57 -0.42 -1.48 116.94 123.90 3drz h PHE 128 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3drz h PHE 128 Cb 0.56 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3drz h PHE 128 CO 0.05 0.42 -0.01 0.66 -2.23 0.00 0.00 178.31 177.21 3drz n TYR 129 N -4.72 0.00 -3.65 0.41 4.02 0.08 -4.84 117.16 108.46 3drz n TYR 129 Ca 0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.68 3drz n TYR 129 Cb 0.03 -0.09 0.04 0.00 -0.02 0.00 0.00 39.34 39.30 3drz n TYR 129 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3drz n ASN 130 N -1.03 -2.85 -4.26 7.72 5.15 -0.56 -1.18 115.26 118.25 3drz n ASN 130 Ca 0.21 -0.87 -0.44 0.00 -0.60 0.00 0.00 54.58 52.88 3drz n ASN 130 Cb 0.16 -3.96 -0.05 0.00 -0.53 0.00 0.00 39.78 35.40 3drz n ASN 130 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3drz s ILE 131 N -3.60 4.94 0.25 -1.44 1.01 -0.68 -3.85 121.20 117.82 3drz s ILE 131 Ca 0.18 -2.39 -0.02 0.00 0.00 0.00 0.00 60.65 58.42 3drz s ILE 131 Cb -0.05 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.40 3drz s ILE 131 CO 0.82 -0.94 1.73 0.71 0.00 0.00 0.00 174.94 177.26 3drz h THR 132 N 5.20 1.25 -0.50 2.92 1.35 -1.92 -0.42 112.91 120.79 3drz h THR 132 Ca -0.01 -1.09 -0.08 0.00 -0.55 0.00 0.00 66.41 64.68 3drz h THR 132 Cb 1.03 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 3drz h THR 132 CO 0.79 0.38 -0.02 0.77 -0.25 0.00 0.00 175.52 177.19 3drz h SER 133 N 0.72 0.82 -0.38 5.36 4.64 -1.98 -2.18 113.55 120.55 3drz h SER 133 Ca 0.13 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 3drz h SER 133 Cb 0.52 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3drz h SER 133 CO 0.03 0.90 -0.26 0.25 -0.87 0.00 0.00 176.83 176.88 3drz h LEU 134 N 0.79 0.89 -0.69 5.97 5.85 -1.71 -2.30 115.31 124.10 3drz h LEU 134 Ca 0.15 -0.43 0.10 0.00 0.84 0.00 0.00 57.88 58.54 3drz h LEU 134 Cb 0.49 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3drz h LEU 134 CO 0.02 1.13 0.32 0.40 -0.34 0.00 0.00 178.44 179.97 3drz h ILE 135 N 0.66 0.80 -0.41 4.05 2.04 -0.86 -0.28 117.51 123.51 3drz h ILE 135 Ca 0.08 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3drz h ILE 135 Cb 0.83 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3drz h ILE 135 CO 0.07 0.10 0.06 0.50 0.00 0.00 0.00 178.15 178.88 3drz h LYS 136 N 0.53 0.68 -0.48 2.37 3.64 -1.22 -0.88 116.57 121.22 3drz h LYS 136 Ca 0.35 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3drz h LYS 136 Cb 0.41 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3drz h LYS 136 CO -0.30 0.73 0.23 -0.07 -2.27 0.00 0.00 179.45 177.78 3drz h LEU 137 N 0.53 0.33 -0.39 5.20 3.38 -0.85 0.56 115.31 124.07 3drz h LEU 137 Ca 0.12 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3drz h LEU 137 Cb 0.38 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3drz h LEU 137 CO 0.01 0.23 0.01 0.58 0.09 0.00 0.00 178.44 179.36 3drz h VAL 138 N 0.46 1.26 -0.90 1.22 2.07 -0.88 0.36 116.25 119.83 3drz h VAL 138 Ca 0.21 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3drz h VAL 138 Cb 0.13 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3drz h VAL 138 CO -0.16 0.33 0.59 0.11 0.02 0.00 0.00 177.57 178.47 3drz h LYS 139 N 0.52 1.17 -0.33 1.57 1.57 -0.88 -0.12 116.57 120.06 3drz h LYS 139 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3drz h LYS 139 Cb 0.45 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3drz h LYS 139 CO 0.02 0.77 0.15 -0.44 -0.57 0.00 0.00 179.45 179.39 3drz h ASP 140 N 1.20 0.44 -1.00 0.86 5.19 -0.52 -0.70 116.42 121.90 3drz h ASP 140 Ca 0.33 -0.14 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 3drz h ASP 140 Cb -0.12 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.22 3drz h ASP 140 CO -0.08 0.45 0.65 0.50 -3.12 0.00 0.00 179.24 177.65 3drz h LYS 141 N 0.40 1.21 -0.16 3.56 3.64 -0.38 -1.64 116.57 123.20 3drz h LYS 141 Ca 0.11 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3drz h LYS 141 Cb 0.13 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3drz h LYS 141 CO -0.01 0.80 -0.42 0.82 -2.27 0.00 0.00 179.45 178.37 3drz h ILE 142 N 1.25 1.31 -0.27 2.00 2.04 -0.46 -2.96 117.51 120.41 3drz h ILE 142 Ca 0.40 -1.56 -0.14 0.00 1.00 0.00 0.00 64.86 64.57 3drz h ILE 142 Cb 0.03 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3drz h ILE 142 CO -0.13 0.48 -0.39 0.03 0.00 0.00 0.00 178.15 178.13 3drz h ARG 143 N 0.30 0.64 0.00 2.37 3.08 -0.40 -2.83 114.38 117.53 3drz h ARG 143 Ca 0.03 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3drz h ARG 143 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3drz h ARG 143 CO 0.07 0.92 0.00 0.39 -1.07 0.00 0.00 179.97 180.28 3drz n GLU 144 N -4.04 0.88 0.00 0.04 1.02 -0.69 -5.11 120.64 112.74 3drz n GLU 144 Ca -0.02 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.21 3drz n GLU 144 Cb 0.52 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.93 3drz n GLU 144 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85