#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3p s GLU 2 N 0.00 1.85 0.26 0.00 0.41 -1.26 -5.09 118.70 114.87 1g3p s GLU 2 Ca 0.00 -1.99 0.02 0.00 -0.41 0.00 0.00 54.97 52.59 1g3p s GLU 2 Cb 0.00 -1.65 -0.05 0.00 -1.78 0.00 0.00 34.13 30.65 1g3p s GLU 2 CO 0.00 0.07 0.07 0.95 -0.49 0.00 0.00 175.26 175.86 1g3p s THR 3 N -2.67 0.71 0.24 3.63 -4.23 -1.26 -5.01 115.64 107.05 1g3p s THR 3 Ca 0.33 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1g3p s THR 3 Cb 0.05 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.53 1g3p s THR 3 CO 0.17 -0.07 1.91 0.58 -0.54 0.00 0.00 174.62 176.67 1g3p h VAL 4 N 2.38 1.21 -0.49 2.29 2.07 -1.98 -2.09 116.25 119.63 1g3p h VAL 4 Ca -0.38 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1g3p h VAL 4 Cb 1.24 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1g3p h VAL 4 CO 0.63 0.23 -0.14 -0.33 0.02 0.00 0.00 177.57 177.97 1g3p h GLU 5 N 1.25 0.97 -0.63 1.57 4.39 -1.98 -0.49 114.58 119.65 1g3p h GLU 5 Ca 0.36 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1g3p h GLU 5 Cb -0.10 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1g3p h GLU 5 CO -0.09 1.05 0.14 0.66 -1.16 0.00 0.00 179.01 179.61 1g3p h SER 6 N 0.82 0.94 -0.15 1.42 4.64 -1.91 -1.76 113.55 117.55 1g3p h SER 6 Ca 0.12 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1g3p h SER 6 Cb 0.71 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1g3p h SER 6 CO 0.05 0.92 0.01 0.00 -0.87 0.00 0.00 176.83 176.94 1g3p h LEU 8 N 0.01 0.00 -0.20 0.00 3.38 -0.89 -2.22 115.31 115.40 1g3p h LEU 8 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1g3p h LEU 8 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1g3p h LEU 8 CO 0.01 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1g3p n ALA 9 N -2.49 2.10 -1.62 1.53 0.00 -0.68 -4.88 120.51 114.47 1g3p n ALA 9 Ca -0.03 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1g3p n ALA 9 Cb 0.13 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.18 1g3p n ALA 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1g3p s LYS 10 N -3.16 2.86 0.67 0.00 1.02 -0.83 -5.01 119.74 115.27 1g3p s LYS 10 Ca 0.09 1.66 -0.11 0.00 0.02 0.00 0.00 55.97 57.63 1g3p s LYS 10 Cb 0.12 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1g3p s LYS 10 CO 0.53 -1.26 1.05 -1.12 -0.92 0.00 0.00 175.35 173.64 1g3p s SER 11 N -1.95 5.74 0.86 2.83 0.01 -1.26 -4.76 113.70 115.17 1g3p s SER 11 Ca 0.73 1.46 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 1g3p s SER 11 Cb -0.26 -2.40 0.11 0.00 0.21 0.00 0.00 66.02 63.67 1g3p s SER 11 CO 0.36 -1.19 1.10 -1.00 0.41 0.00 0.00 173.24 172.92 1g3p s HIS 12 N -3.15 2.18 -0.19 2.43 0.09 -1.26 -4.78 115.29 110.62 1g3p s HIS 12 Ca 0.57 1.55 0.00 0.00 -0.00 0.00 0.00 55.06 57.18 1g3p s HIS 12 Cb -0.12 -3.16 0.04 0.00 -0.00 0.00 0.00 32.58 29.34 1g3p s HIS 12 CO 0.54 -2.32 -0.08 0.99 -0.00 0.00 0.00 174.74 173.87 1g3p s THR 13 N -2.81 1.41 -0.78 1.30 2.01 -0.45 -4.95 115.64 111.37 1g3p s THR 13 Ca 0.64 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 1g3p s THR 13 Cb -0.19 -1.55 0.14 0.00 0.01 0.00 0.00 72.50 70.91 1g3p s THR 13 CO 0.57 0.13 0.88 -1.61 -0.69 0.00 0.00 174.62 173.90 1g3p s GLU 14 N 1.49 3.39 0.11 4.92 2.02 -1.26 -0.60 118.70 128.77 1g3p s GLU 14 Ca -0.01 -1.76 -0.13 0.00 0.02 0.00 0.00 54.97 53.09 1g3p s GLU 14 Cb -0.16 -4.54 0.05 0.00 0.10 0.00 0.00 34.13 29.58 1g3p s GLU 14 CO -0.08 -1.57 0.63 -1.71 0.02 0.00 0.00 175.26 172.55 1g3p n ASN 15 N 5.84 -1.03 -4.84 -0.19 2.85 -1.07 -4.96 115.26 111.86 1g3p n ASN 15 Ca 0.09 -1.53 -0.37 0.00 -0.11 0.00 0.00 54.58 52.65 1g3p n ASN 15 Cb 0.46 1.68 -0.06 0.00 1.24 0.00 0.00 39.78 43.10 1g3p n ASN 15 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1g3p s SER 16 N -2.49 6.51 0.16 1.20 0.01 -1.26 -2.46 113.70 115.38 1g3p s SER 16 Ca 0.14 0.61 0.10 0.00 1.31 0.00 0.00 55.95 58.12 1g3p s SER 16 Cb -0.02 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1g3p s SER 16 CO 0.03 0.33 -0.24 -0.36 0.41 0.00 0.00 173.24 173.42 1g3p s PHE 17 N -0.78 2.17 0.50 2.43 0.40 -0.54 -0.94 117.98 121.22 1g3p s PHE 17 Ca 0.17 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1g3p s PHE 17 Cb -0.13 -1.12 -0.00 0.00 0.51 0.00 0.00 43.02 42.27 1g3p s PHE 17 CO 0.06 0.39 0.20 -0.08 0.70 0.00 0.00 175.22 176.49 1g3p s THR 18 N -1.47 1.63 -1.40 0.64 -1.32 -1.26 -1.65 115.64 110.80 1g3p s THR 18 Ca 0.16 -1.74 -0.09 0.00 -1.21 0.00 0.00 61.69 58.81 1g3p s THR 18 Cb -0.09 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1g3p s THR 18 CO 0.07 0.00 1.05 0.59 -2.21 0.00 0.00 174.62 174.13 1g3p n ASN 19 N -1.44 -4.91 -3.98 8.08 5.03 -0.13 -4.81 115.26 113.09 1g3p n ASN 19 Ca -0.08 -0.66 -0.30 0.00 0.87 0.00 0.00 54.58 54.41 1g3p n ASN 19 Cb 0.65 -4.53 0.21 0.00 -1.02 0.00 0.00 39.78 35.09 1g3p n ASN 19 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1g3p s VAL 20 N -3.35 1.86 -0.29 2.41 1.01 -0.30 -4.71 120.40 117.03 1g3p s VAL 20 Ca 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 1g3p s VAL 20 Cb -0.24 -2.83 0.16 0.00 0.00 0.00 0.00 36.38 33.46 1g3p s VAL 20 CO 0.77 0.00 0.61 -0.75 0.00 0.00 0.00 175.10 175.74 1g3p s LYS 22 N -5.76 0.56 0.07 2.72 2.20 -1.26 -4.75 119.74 113.52 1g3p s LYS 22 Ca 0.74 1.22 -0.32 0.00 -0.36 0.00 0.00 55.97 57.25 1g3p s LYS 22 Cb -0.05 0.68 -0.11 0.00 -1.51 0.00 0.00 37.83 36.84 1g3p s LYS 22 CO 0.54 -0.40 1.87 -3.47 -0.36 0.00 0.00 175.35 173.53 1g3p n ASP 23 N 5.44 3.92 0.29 1.43 -0.08 -0.12 -4.88 116.55 122.56 1g3p n ASP 23 Ca -0.07 0.97 0.19 0.00 -1.51 0.00 0.00 54.79 54.37 1g3p n ASP 23 Cb 0.50 -1.50 0.82 0.00 2.34 0.00 0.00 41.12 43.28 1g3p n ASP 23 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1g3p h ASP 24 N 9.05 0.00 0.02 1.67 2.03 -1.94 0.22 116.42 127.47 1g3p h ASP 24 Ca -0.48 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.54 1g3p h ASP 24 Cb 1.24 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.70 1g3p h ASP 24 CO 0.94 0.00 -1.55 0.29 -1.03 0.00 0.00 179.24 177.90 1g3p n LYS 25 N -3.09 0.60 0.07 4.15 4.76 -1.26 -3.64 118.16 119.74 1g3p n LYS 25 Ca -0.00 0.49 0.11 0.00 -2.87 0.00 0.00 58.31 56.04 1g3p n LYS 25 Cb 0.25 -1.71 -0.05 0.00 -1.84 0.00 0.00 35.03 31.68 1g3p n LYS 25 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1g3p n THR 26 N -4.25 0.42 -1.13 -0.18 -2.24 -1.23 -4.92 114.28 100.74 1g3p n THR 26 Ca -0.35 -0.53 -0.05 0.00 -2.27 0.00 0.00 64.05 60.86 1g3p n THR 26 Cb 0.77 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1g3p n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g3p n LEU 27 N -2.53 -0.05 -4.83 3.22 4.77 0.76 -4.83 117.00 113.51 1g3p n LEU 27 Ca -0.01 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 1g3p n LEU 27 Cb 0.55 -1.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.09 1g3p n LEU 27 CO 0.42 -0.53 0.71 -1.81 -1.33 0.00 0.00 177.39 174.85 1g3p s ASP 28 N -2.38 5.57 -0.13 -1.43 1.11 -1.26 -4.71 116.67 113.44 1g3p s ASP 28 Ca 0.00 1.57 -0.05 0.00 0.18 0.00 0.00 52.55 54.25 1g3p s ASP 28 Cb 0.00 -2.49 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 1g3p s ASP 28 CO 0.00 -1.32 0.06 -0.13 1.18 0.00 0.00 175.17 174.96 1g3p s ARG 29 N -5.08 3.47 0.08 8.23 1.81 -1.26 -0.94 118.95 125.26 1g3p s ARG 29 Ca 0.57 -0.31 0.02 0.00 -1.72 0.00 0.00 55.73 54.29 1g3p s ARG 29 Cb -0.13 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.28 1g3p s ARG 29 CO 0.55 0.57 -0.07 0.71 -0.68 0.00 0.00 175.30 176.38 1g3p s TYR 30 N -0.47 0.80 0.04 -0.53 2.02 -1.26 -1.71 117.35 116.24 1g3p s TYR 30 Ca 0.10 -0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 55.77 1g3p s TYR 30 Cb -0.12 -0.47 0.06 0.00 -0.40 0.00 0.00 41.96 41.03 1g3p s TYR 30 CO 0.02 -0.14 0.58 0.00 -1.57 0.00 0.00 175.55 174.44 1g3p s ALA 31 N -2.87 -1.49 -0.04 3.71 0.00 -0.69 -4.46 121.76 115.93 1g3p s ALA 31 Ca 0.04 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 1g3p s ALA 31 Cb 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1g3p s ALA 31 CO -0.03 -0.52 0.25 -0.80 0.00 0.00 0.00 175.76 174.66 1g3p s ASN 32 N -1.91 6.52 -0.28 0.00 0.01 -1.26 -0.57 114.94 117.45 1g3p s ASN 32 Ca -0.06 0.61 -0.18 0.00 -0.71 0.00 0.00 52.86 52.52 1g3p s ASN 32 Cb -0.01 -2.11 0.12 0.00 0.41 0.00 0.00 41.25 39.65 1g3p s ASN 32 CO -0.01 0.32 0.88 -0.47 -1.51 0.00 0.00 177.10 176.31 1g3p s TYR 33 N -1.17 -0.72 -1.48 2.20 5.04 -0.10 -4.89 117.35 116.23 1g3p s TYR 33 Ca 0.23 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1g3p s TYR 33 Cb -0.13 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1g3p s TYR 33 CO 0.11 -0.36 0.09 0.39 -1.34 0.00 0.00 175.55 174.45 1g3p n GLU 34 N 3.54 -2.29 -1.00 4.97 1.02 -1.26 -0.98 120.64 124.63 1g3p n GLU 34 Ca -0.18 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1g3p n GLU 34 Cb 0.57 -5.49 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 1g3p n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g3p n GLY 35 N -1.00 0.48 3.39 0.62 0.00 -1.26 -4.92 105.19 102.50 1g3p n GLY 35 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1g3p n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3p s LEU 37 N -3.19 4.30 0.07 0.00 2.96 0.43 -0.93 118.68 122.33 1g3p s LEU 37 Ca 0.23 0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 1g3p s LEU 37 Cb -0.04 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1g3p s LEU 37 CO 0.10 0.27 -0.21 0.26 -1.32 0.00 0.00 176.35 175.45 1g3p s TRP 38 N -0.27 1.81 -0.13 5.38 0.52 0.27 -0.75 118.94 125.77 1g3p s TRP 38 Ca 0.13 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.85 1g3p s TRP 38 Cb -0.12 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1g3p s TRP 38 CO 0.02 0.15 -0.11 1.21 0.02 0.00 0.00 176.95 178.24 1g3p s ASN 39 N -1.52 4.19 -0.13 2.95 3.04 0.02 -1.70 114.94 121.80 1g3p s ASN 39 Ca 0.07 -0.27 -0.29 0.00 0.04 0.00 0.00 52.86 52.41 1g3p s ASN 39 Cb -0.09 -1.56 -0.01 0.00 -1.54 0.00 0.00 41.25 38.04 1g3p s ASN 39 CO 0.03 0.19 1.11 0.00 -3.04 0.00 0.00 177.10 175.39 1g3p s ALA 40 N 0.21 3.53 0.34 1.71 0.00 -0.69 -0.68 121.76 126.19 1g3p s ALA 40 Ca -0.07 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1g3p s ALA 40 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 1g3p s ALA 40 CO 0.05 -0.84 0.07 0.95 0.00 0.00 0.00 175.76 175.99 1g3p s THR 41 N 2.56 1.07 0.00 0.00 -4.23 0.03 -4.72 115.64 110.34 1g3p s THR 41 Ca 0.51 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1g3p s THR 41 Cb -0.20 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1g3p s THR 41 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1g3p n GLY 42 N -0.74 -1.25 3.70 3.99 0.00 -1.26 -0.52 105.19 109.11 1g3p n GLY 42 Ca -0.03 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1g3p n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3p s VAL 43 N 0.00 3.40 -0.16 1.61 1.01 -1.26 -4.88 120.40 120.13 1g3p s VAL 43 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1g3p s VAL 43 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1g3p s VAL 43 CO 0.00 0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.33 1g3p s VAL 44 N 2.00 3.16 -0.14 2.92 1.01 -1.26 -4.43 120.40 123.66 1g3p s VAL 44 Ca 0.66 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1g3p s VAL 44 Cb -0.35 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1g3p s VAL 44 CO 0.29 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 175.01 1g3p s VAL 45 N 0.66 1.88 0.25 2.92 1.01 -0.46 0.02 120.40 126.67 1g3p s VAL 45 Ca -0.06 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1g3p s VAL 45 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1g3p s VAL 45 CO 0.02 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.48 1g3p s THR 47 N -2.75 2.80 0.25 0.00 -4.23 -0.30 0.16 115.64 111.57 1g3p s THR 47 Ca 0.27 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 1g3p s THR 47 Cb -0.02 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.28 1g3p s THR 47 CO 0.11 -0.34 1.90 1.23 -0.54 0.00 0.00 174.62 176.98 1g3p h GLY 48 N -1.42 1.44 1.12 3.99 0.00 -1.92 0.91 103.07 107.19 1g3p h GLY 48 Ca -0.48 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1g3p h GLY 48 CO 0.55 0.40 0.00 2.09 0.00 0.00 0.00 176.54 179.58 1g3p n ASP 49 N -4.48 0.00 -1.70 0.19 5.68 -1.26 -4.90 116.55 110.09 1g3p n ASP 49 Ca 0.13 -0.67 -0.19 0.00 -0.50 0.00 0.00 54.79 53.56 1g3p n ASP 49 Cb 0.11 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 39.96 1g3p n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1g3p n GLU 50 N -1.06 -1.48 0.11 0.11 -0.58 0.31 -4.86 120.64 113.19 1g3p n GLU 50 Ca 0.18 1.11 0.12 0.00 -0.42 0.00 0.00 57.16 58.15 1g3p n GLU 50 Cb 0.11 -5.52 0.03 0.00 -0.57 0.00 0.00 31.44 25.50 1g3p n GLU 50 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1g3p h THR 51 N 0.00 0.00 -4.16 2.62 1.35 -1.85 -3.43 112.91 107.44 1g3p h THR 51 Ca -0.41 -0.95 -0.51 0.00 -0.55 0.00 0.00 66.41 63.99 1g3p h THR 51 Cb 1.27 1.50 -0.27 0.00 -1.73 0.00 0.00 68.15 68.93 1g3p h THR 51 CO 0.57 0.00 -0.82 -1.10 -0.25 0.00 0.00 175.52 173.93 1g3p s GLN 52 N -3.33 1.20 -0.06 4.72 -0.21 -1.26 -0.96 119.66 119.76 1g3p s GLN 52 Ca 0.01 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.59 1g3p s GLN 52 Cb 0.09 -1.22 0.02 0.00 1.00 0.00 0.00 33.01 32.91 1g3p s GLN 52 CO 0.77 0.32 0.18 0.00 -2.12 0.00 0.00 175.29 174.44 1g3p s TYR 54 N -0.07 3.33 -0.12 0.00 5.04 0.75 -1.47 117.35 124.82 1g3p s TYR 54 Ca -0.02 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1g3p s TYR 54 Cb -0.02 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1g3p s TYR 54 CO 0.00 0.58 0.00 0.41 -1.34 0.00 0.00 175.55 175.20 1g3p n GLY 55 N 1.90 -1.20 3.38 8.97 0.00 -1.03 -1.36 105.19 115.85 1g3p n GLY 55 Ca -0.18 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 1g3p n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g3p s THR 56 N -2.61 4.96 0.03 2.61 2.01 0.32 -2.60 115.64 120.36 1g3p s THR 56 Ca 0.00 -1.42 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 1g3p s THR 56 Cb 0.00 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 1g3p s THR 56 CO 0.00 -1.20 1.06 0.26 -0.69 0.00 0.00 174.62 174.06 1g3p s TRP 57 N 2.18 3.58 -0.19 4.92 0.52 0.23 -0.79 118.94 129.39 1g3p s TRP 57 Ca 0.18 1.56 -0.03 0.00 0.02 0.00 0.00 56.10 57.82 1g3p s TRP 57 Cb -0.17 -3.23 -0.01 0.00 -1.15 0.00 0.00 33.47 28.91 1g3p s TRP 57 CO -0.00 -0.48 -0.07 0.08 0.02 0.00 0.00 176.95 176.49 1g3p s VAL 58 N 0.93 3.28 -0.03 4.03 1.01 0.15 -1.35 120.40 128.42 1g3p s VAL 58 Ca 0.54 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1g3p s VAL 58 Cb -0.25 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1g3p s VAL 58 CO 0.29 0.46 1.27 -2.16 0.00 0.00 0.00 175.10 174.96 1g3p s PRO 59 N 1.07 4.33 0.00 2.72 0.04 -1.26 -0.80 135.00 141.11 1g3p s PRO 59 Ca 0.01 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.87 1g3p s PRO 59 Cb -0.15 -3.55 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1g3p s PRO 59 CO -0.01 -0.48 0.44 0.44 0.04 0.00 0.00 177.00 177.43 1g3p n ILE 60 N 4.59 0.00 -3.64 0.56 -5.35 0.07 -4.57 119.36 111.02 1g3p n ILE 60 Ca 0.12 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1g3p n ILE 60 Cb 0.45 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1g3p n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g3p n GLY 61 N 0.73 -1.08 3.79 3.28 0.00 -1.21 -4.90 105.19 105.81 1g3p n GLY 61 Ca 0.02 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 1g3p n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g3p s LEU 62 N 0.00 3.60 0.58 0.99 1.43 -1.26 -0.43 118.68 123.59 1g3p s LEU 62 Ca 0.00 1.95 -0.20 0.00 -1.03 0.00 0.00 54.13 54.85 1g3p s LEU 62 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1g3p s LEU 62 CO 0.00 -1.19 1.31 0.00 0.23 0.00 0.00 176.35 176.70 1g3p s ALA 63 N -2.19 2.65 -0.14 4.21 0.00 -0.51 -3.56 121.76 122.23 1g3p s ALA 63 Ca 0.67 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.84 1g3p s ALA 63 Cb -0.19 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1g3p s ALA 63 CO 0.32 -1.39 -0.05 0.42 0.00 0.00 0.00 175.76 175.07 1g3p s ILE 64 N -1.38 3.83 -0.21 0.00 1.01 -1.26 -4.87 121.20 118.33 1g3p s ILE 64 Ca 0.75 -0.39 -0.36 0.00 0.00 0.00 0.00 60.65 60.66 1g3p s ILE 64 Cb -0.38 -2.66 -0.12 0.00 0.01 0.00 0.00 42.46 39.31 1g3p s ILE 64 CO 0.43 0.51 1.93 -0.81 0.00 0.00 0.00 174.94 177.00 1g3p n PRO 65 N 3.38 1.66 -3.37 2.79 -0.04 -1.26 -4.95 135.00 133.20 1g3p n PRO 65 Ca -0.17 0.58 -0.34 0.00 -0.04 0.00 0.00 63.50 63.52 1g3p n PRO 65 Cb 0.53 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 1g3p n PRO 65 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1g3p s GLU 91 N 4.54 3.91 0.11 0.54 2.12 -1.26 -5.22 118.70 123.44 1g3p s GLU 91 Ca 0.98 0.41 0.10 0.00 0.36 0.00 0.00 54.97 56.83 1g3p s GLU 91 Cb -0.81 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1g3p s GLU 91 CO 0.54 0.40 -0.26 0.71 -0.54 0.00 0.00 175.26 176.11 1g3p s TYR 92 N -1.63 2.20 0.08 5.30 2.02 -1.26 -5.14 117.35 118.92 1g3p s TYR 92 Ca 0.42 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1g3p s TYR 92 Cb -0.13 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1g3p s TYR 92 CO 0.20 0.27 0.12 0.41 -1.57 0.00 0.00 175.55 174.97 1g3p n GLY 93 N 1.14 -0.13 2.32 0.71 0.00 -1.26 -4.94 105.19 103.03 1g3p n GLY 93 Ca -0.18 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1g3p n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g3p n ASP 94 N -3.03 2.99 -3.99 1.61 5.75 -1.26 -2.93 116.55 115.68 1g3p n ASP 94 Ca 0.02 -2.85 -0.09 0.00 -0.01 0.00 0.00 54.79 51.86 1g3p n ASP 94 Cb 0.06 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.63 1g3p n ASP 94 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1g3p s THR 95 N -3.93 0.12 0.33 2.12 -1.32 -1.24 -4.69 115.64 107.03 1g3p s THR 95 Ca 0.38 -1.02 -0.28 0.00 -1.21 0.00 0.00 61.69 59.55 1g3p s THR 95 Cb 0.36 -0.42 -0.12 0.00 -1.51 0.00 0.00 72.50 70.81 1g3p s THR 95 CO -0.01 -0.56 1.31 -2.65 -2.21 0.00 0.00 174.62 170.49 1g3p n PRO 96 N 1.41 2.11 -4.44 7.08 -0.02 -1.26 -4.03 135.00 135.85 1g3p n PRO 96 Ca -0.23 0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 61.74 1g3p n PRO 96 Cb 0.56 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 1g3p n PRO 96 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1g3p s ILE 97 N -0.94 2.39 0.55 4.25 -4.36 -0.24 -4.91 121.20 117.94 1g3p s ILE 97 Ca 0.57 -2.21 -0.20 0.00 -0.26 0.00 0.00 60.65 58.55 1g3p s ILE 97 Cb -0.58 -2.20 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1g3p s ILE 97 CO 0.60 -0.26 1.22 -2.84 0.24 0.00 0.00 174.94 173.90 1g3p s PRO 98 N -3.09 3.21 0.10 0.37 0.02 -1.26 -0.93 135.00 133.42 1g3p s PRO 98 Ca 0.25 1.88 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 1g3p s PRO 98 Cb -0.06 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1g3p s PRO 98 CO 0.12 -1.03 0.16 0.41 -0.33 0.00 0.00 177.00 176.33 1g3p n GLY 99 N 0.52 2.50 2.98 0.52 0.00 0.01 -4.66 105.19 107.07 1g3p n GLY 99 Ca 0.11 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 1g3p n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g3p s TYR 100 N -5.28 0.57 -0.08 1.61 2.02 0.12 -1.41 117.35 114.90 1g3p s TYR 100 Ca 0.07 -0.12 -0.30 0.00 -0.37 0.00 0.00 57.07 56.35 1g3p s TYR 100 Cb -0.01 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.15 1g3p s TYR 100 CO 0.05 -0.01 1.45 0.99 -1.57 0.00 0.00 175.55 176.46 1g3p s THR 101 N -0.18 3.86 0.28 -0.71 2.01 0.20 -0.86 115.64 120.23 1g3p s THR 101 Ca 0.02 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.83 1g3p s THR 101 Cb -0.03 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 1g3p s THR 101 CO -0.00 -0.07 1.18 -0.47 -0.69 0.00 0.00 174.62 174.57 1g3p s TYR 102 N 3.41 3.39 -0.15 4.92 5.04 0.10 -4.35 117.35 129.71 1g3p s TYR 102 Ca 0.64 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.85 1g3p s TYR 102 Cb -0.29 -3.43 0.01 0.00 0.35 0.00 0.00 41.96 38.60 1g3p s TYR 102 CO 0.23 -1.07 -0.21 0.42 -1.34 0.00 0.00 175.55 173.58 1g3p s ILE 103 N -0.94 2.13 -0.40 3.14 1.01 -1.26 -4.74 121.20 120.14 1g3p s ILE 103 Ca 0.47 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 1g3p s ILE 103 Cb -0.34 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1g3p s ILE 103 CO 0.44 0.54 0.84 0.21 0.00 0.00 0.00 174.94 176.97 1g3p s ASN 104 N 0.95 6.54 0.00 3.58 3.84 -1.26 -4.92 114.94 123.67 1g3p s ASN 104 Ca -0.03 0.27 0.08 0.00 0.21 0.00 0.00 52.86 53.38 1g3p s ASN 104 Cb -0.15 -2.42 0.40 0.00 -0.55 0.00 0.00 41.25 38.53 1g3p s ASN 104 CO -0.05 -0.86 1.06 -0.81 -2.79 0.00 0.00 177.10 173.65 1g3p n PRO 105 N 6.70 0.14 -0.71 0.43 -0.04 -1.26 -2.06 135.00 138.20 1g3p n PRO 105 Ca 0.04 0.16 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 1g3p n PRO 105 Cb 0.48 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.65 1g3p n PRO 105 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g3p n LEU 106 N -1.22 3.79 0.00 1.53 4.77 -1.26 -0.34 117.00 124.28 1g3p n LEU 106 Ca 0.04 -3.71 0.07 0.00 -0.03 0.00 0.00 56.01 52.38 1g3p n LEU 106 Cb 0.05 -0.60 0.35 0.00 -2.33 0.00 0.00 43.42 40.89 1g3p n LEU 106 CO 0.05 1.22 0.70 -0.90 -1.33 0.00 0.00 177.39 177.13 1g3p n ASP 107 N -1.09 0.00 -0.02 -1.43 5.68 -0.88 -4.86 116.55 113.96 1g3p n ASP 107 Ca 0.29 0.16 -0.00 0.00 -0.50 0.00 0.00 54.79 54.74 1g3p n ASP 107 Cb 0.95 -0.33 -0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1g3p n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1g3p n GLY 108 N -0.06 0.43 0.21 6.12 0.00 -0.98 -4.91 105.19 106.00 1g3p n GLY 108 Ca 0.06 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1g3p n GLY 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1g3p h THR 109 N 0.00 0.00 -2.03 2.61 1.35 -1.50 -3.33 112.91 110.01 1g3p h THR 109 Ca -0.01 -0.82 -0.55 0.00 -0.55 0.00 0.00 66.41 64.48 1g3p h THR 109 Cb 0.18 1.81 -0.40 0.00 -1.73 0.00 0.00 68.15 68.02 1g3p h THR 109 CO 0.01 0.00 -1.06 0.00 -0.25 0.00 0.00 175.52 174.22 1g3p n TYR 110 N -2.93 0.30 -1.74 4.73 9.36 0.12 -4.67 117.16 122.32 1g3p n TYR 110 Ca 0.04 -3.69 -0.42 0.00 3.32 0.00 0.00 57.90 57.15 1g3p n TYR 110 Cb 0.47 -0.39 -0.03 0.00 -0.63 0.00 0.00 39.34 38.76 1g3p n TYR 110 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1g3p s PRO 111 N -1.63 4.15 0.92 2.98 0.04 -1.25 -4.36 135.00 135.84 1g3p s PRO 111 Ca 0.37 2.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.84 1g3p s PRO 111 Cb 0.21 -3.81 0.14 0.00 0.04 0.00 0.00 34.50 31.08 1g3p s PRO 111 CO -0.09 -0.87 1.09 -1.25 0.04 0.00 0.00 177.00 175.92 1g3p s PRO 112 N 3.39 1.03 -0.61 0.56 0.04 -1.26 -3.73 135.00 134.42 1g3p s PRO 112 Ca 0.82 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1g3p s PRO 112 Cb -0.43 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1g3p s PRO 112 CO 0.37 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1g3p n GLY 113 N -0.76 0.80 3.56 0.56 0.00 0.16 -4.68 105.19 104.82 1g3p n GLY 113 Ca 0.07 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 1g3p n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g3p s THR 114 N -2.22 1.06 0.22 2.61 -4.23 -0.53 -4.98 115.64 107.57 1g3p s THR 114 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1g3p s THR 114 Cb 0.00 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.39 1g3p s THR 114 CO 0.00 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.67 1g3p h GLU 115 N 1.79 0.90 -0.19 3.99 4.22 -1.95 -2.44 114.58 120.90 1g3p h GLU 115 Ca -0.40 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 58.75 1g3p h GLU 115 Cb 1.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1g3p h GLU 115 CO 0.67 0.94 0.12 0.37 -2.18 0.00 0.00 179.01 178.93 1g3p h GLN 116 N 0.81 0.25 -3.46 1.92 4.15 -1.96 -3.37 115.11 113.45 1g3p h GLN 116 Ca 0.14 -0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.95 1g3p h GLN 116 Cb 0.58 -0.06 -0.40 0.00 0.21 0.00 0.00 27.48 27.82 1g3p h GLN 116 CO 0.04 0.18 -0.75 1.21 -1.93 0.00 0.00 178.83 177.58 1g3p s ASN 117 N -5.39 3.96 0.00 -0.69 2.47 -1.15 -5.01 114.94 109.14 1g3p s ASN 117 Ca -0.13 -1.89 0.15 0.00 0.42 0.00 0.00 52.86 51.41 1g3p s ASN 117 Cb 0.08 -0.92 0.78 0.00 -1.45 0.00 0.00 41.25 39.74 1g3p s ASN 117 CO 0.69 -0.38 1.38 -0.81 -3.72 0.00 0.00 177.10 174.26 1g3p n PRO 118 N 4.53 0.28 -1.68 0.43 -0.04 -0.93 -1.19 135.00 136.38 1g3p n PRO 118 Ca 0.01 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1g3p n PRO 118 Cb 0.40 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1g3p n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g3p n ALA 119 N -1.21 1.10 -1.77 0.55 0.00 -1.26 -4.43 120.51 113.49 1g3p n ALA 119 Ca 0.08 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 1g3p n ALA 119 Cb 0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1g3p n ALA 119 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1g3p s ASN 120 N -0.36 6.45 0.32 0.00 3.84 -1.26 0.35 114.94 124.28 1g3p s ASN 120 Ca 0.56 2.75 0.26 0.00 0.21 0.00 0.00 52.86 56.64 1g3p s ASN 120 Cb -0.58 -2.58 1.01 0.00 -0.55 0.00 0.00 41.25 38.55 1g3p s ASN 120 CO 0.62 -0.96 1.78 1.55 -2.79 0.00 0.00 177.10 177.29 1g3p h PRO 121 N 7.74 0.00 -6.16 0.43 0.13 -1.89 -3.44 132.00 128.80 1g3p h PRO 121 Ca -0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 1g3p h PRO 121 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1g3p h PRO 121 CO 0.95 0.00 0.83 1.21 -0.23 0.00 0.00 178.00 180.76 1g3p s ASN 122 N -4.68 7.01 0.57 1.44 3.04 -1.26 -4.71 114.94 116.35 1g3p s ASN 122 Ca 0.05 1.63 -0.19 0.00 0.04 0.00 0.00 52.86 54.39 1g3p s ASN 122 Cb 0.09 -2.54 -0.06 0.00 -1.54 0.00 0.00 41.25 37.20 1g3p s ASN 122 CO 0.47 -0.70 0.93 -2.65 -3.04 0.00 0.00 177.10 172.10 1g3p n PRO 123 N 6.25 0.93 -3.15 0.43 -0.02 -1.26 -4.82 135.00 133.36 1g3p n PRO 123 Ca 0.13 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1g3p n PRO 123 Cb 0.45 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1g3p n PRO 123 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1g3p s SER 124 N -1.17 6.86 -0.30 2.55 0.01 0.81 -4.89 113.70 117.58 1g3p s SER 124 Ca 0.73 1.03 -0.10 0.00 1.31 0.00 0.00 55.95 58.93 1g3p s SER 124 Cb -0.44 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 1g3p s SER 124 CO 0.49 -0.08 0.15 -0.76 0.41 0.00 0.00 173.24 173.45 1g3p s LEU 125 N 0.79 4.01 -0.13 2.44 1.43 -1.26 -0.27 118.68 125.68 1g3p s LEU 125 Ca 0.33 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1g3p s LEU 125 Cb -0.17 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1g3p s LEU 125 CO 0.15 -0.15 -0.04 -1.61 0.23 0.00 0.00 176.35 174.92 1g3p s GLU 126 N 1.64 3.43 0.27 1.70 0.41 0.21 -4.90 118.70 121.46 1g3p s GLU 126 Ca 0.05 -0.52 0.25 0.00 -0.41 0.00 0.00 54.97 54.35 1g3p s GLU 126 Cb -0.17 -2.84 0.92 0.00 -1.78 0.00 0.00 34.13 30.26 1g3p s GLU 126 CO 0.07 0.37 1.75 1.05 -0.49 0.00 0.00 175.26 178.00 1g3p h GLU 127 N 6.28 0.00 -3.48 1.61 4.11 -1.86 0.31 114.58 121.55 1g3p h GLU 127 Ca -0.36 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.91 1g3p h GLU 127 Cb 1.19 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 1g3p h GLU 127 CO 0.60 0.00 -0.51 -1.54 0.07 0.00 0.00 179.01 177.63 1g3p s SER 128 N -4.53 -0.03 0.22 3.06 1.04 -1.26 -4.85 113.70 107.34 1g3p s SER 128 Ca 0.07 -0.05 -0.32 0.00 0.48 0.00 0.00 55.95 56.12 1g3p s SER 128 Cb 0.10 0.24 -0.12 0.00 0.10 0.00 0.00 66.02 66.34 1g3p s SER 128 CO 0.49 -0.27 1.66 0.00 0.98 0.00 0.00 173.24 176.10 1g3p n GLN 129 N 1.94 2.61 -1.40 4.02 1.13 -1.26 -4.89 117.38 119.54 1g3p n GLN 129 Ca -0.20 0.94 -0.32 0.00 -1.94 0.00 0.00 57.00 55.49 1g3p n GLN 129 Cb 0.57 -2.75 0.08 0.00 0.11 0.00 0.00 30.24 28.24 1g3p n GLN 129 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1g3p s PRO 130 N 0.75 2.39 0.55 -1.09 0.04 -1.26 -5.03 135.00 131.35 1g3p s PRO 130 Ca 0.74 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.95 1g3p s PRO 130 Cb -0.54 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1g3p s PRO 130 CO 0.37 -1.55 0.88 -0.51 0.04 0.00 0.00 177.00 176.23 1g3p s LEU 131 N -5.62 3.40 -1.48 -3.56 1.43 -1.26 -4.39 118.68 107.20 1g3p s LEU 131 Ca 0.63 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1g3p s LEU 131 Cb -0.18 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1g3p s LEU 131 CO 0.52 -0.81 0.00 0.59 0.23 0.00 0.00 176.35 176.88 1g3p n ASN 132 N -2.49 -4.83 -4.83 2.29 3.02 -1.26 -5.01 115.26 102.15 1g3p n ASN 132 Ca 0.03 0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 54.40 1g3p n ASN 132 Cb 0.56 -3.88 0.06 0.00 -0.61 0.00 0.00 39.78 35.91 1g3p n ASN 132 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g3p s THR 133 N -2.73 3.74 0.04 3.41 -4.23 -1.26 -4.74 115.64 109.87 1g3p s THR 133 Ca 0.00 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1g3p s THR 133 Cb 0.00 -3.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1g3p s THR 133 CO 0.00 -0.74 -0.09 0.72 -0.54 0.00 0.00 174.62 173.97 1g3p s PHE 134 N -3.15 0.81 -0.17 3.99 -0.71 -0.20 -4.04 117.98 114.52 1g3p s PHE 134 Ca 0.58 -0.44 -0.11 0.00 -1.04 0.00 0.00 56.93 55.92 1g3p s PHE 134 Cb -0.13 -0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 41.15 1g3p s PHE 134 CO 0.54 -0.04 0.21 -1.64 -1.34 0.00 0.00 175.22 172.95 1g3p s MET 135 N -1.45 4.12 -0.13 1.99 -1.94 0.82 -0.36 119.30 122.35 1g3p s MET 135 Ca -0.06 -0.05 -0.04 0.00 -1.71 0.00 0.00 55.69 53.83 1g3p s MET 135 Cb -0.09 -3.39 0.06 0.00 2.01 0.00 0.00 34.83 33.42 1g3p s MET 135 CO 0.01 0.35 0.14 0.12 -0.01 0.00 0.00 175.02 175.62 1g3p s PHE 136 N 0.18 -0.05 -1.46 -0.03 5.36 -0.36 -1.09 117.98 120.53 1g3p s PHE 136 Ca 0.13 0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 56.18 1g3p s PHE 136 Cb -0.12 -0.45 0.05 0.00 -0.34 0.00 0.00 43.02 42.16 1g3p s PHE 136 CO 0.02 -0.40 1.04 1.04 -1.46 0.00 0.00 175.22 175.46 1g3p n GLN 137 N 5.31 -6.47 -1.01 10.12 6.02 -1.26 -0.92 117.38 129.16 1g3p n GLN 137 Ca -0.05 0.70 -0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1g3p n GLN 137 Cb 0.50 -5.66 -0.00 0.00 1.02 0.00 0.00 30.24 26.09 1g3p n GLN 137 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1g3p n ASN 138 N -2.88 -4.92 -4.89 1.08 5.03 -1.26 -5.00 115.26 102.42 1g3p n ASN 138 Ca 0.02 0.01 -0.35 0.00 0.87 0.00 0.00 54.58 55.13 1g3p n ASN 138 Cb 0.54 -2.46 -0.05 0.00 -1.02 0.00 0.00 39.78 36.79 1g3p n ASN 138 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1g3p s ASN 139 N -2.03 6.40 -0.34 6.41 0.01 -0.10 -5.08 114.94 120.22 1g3p s ASN 139 Ca 0.00 0.44 -0.09 0.00 -0.71 0.00 0.00 52.86 52.49 1g3p s ASN 139 Cb 0.00 -2.05 0.01 0.00 0.41 0.00 0.00 41.25 39.63 1g3p s ASN 139 CO 0.00 0.33 0.16 -0.60 -1.51 0.00 0.00 177.10 175.48 1g3p s ARG 140 N -1.48 3.03 0.21 -0.60 3.52 -1.26 -1.22 118.95 121.14 1g3p s ARG 140 Ca 0.22 -0.93 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1g3p s ARG 140 Cb -0.12 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1g3p s ARG 140 CO 0.12 -0.55 0.11 -0.06 -0.81 0.00 0.00 175.30 174.10 1g3p s PHE 141 N 1.55 3.01 -0.06 5.12 0.40 0.52 -0.76 117.98 127.76 1g3p s PHE 141 Ca 0.03 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1g3p s PHE 141 Cb -0.18 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 41.96 1g3p s PHE 141 CO 0.05 0.53 -0.10 0.50 0.70 0.00 0.00 175.22 176.91 1g3p s ARG 142 N -3.39 1.47 -0.26 0.44 3.52 -0.27 -1.03 118.95 119.42 1g3p s ARG 142 Ca 0.31 -0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 1g3p s ARG 142 Cb -0.09 -1.26 -0.00 0.00 -1.56 0.00 0.00 34.95 32.04 1g3p s ARG 142 CO 0.22 -0.01 0.03 1.21 -0.81 0.00 0.00 175.30 175.95 1g3p s ASN 143 N 0.76 4.85 -0.50 -2.12 2.47 -1.26 -1.42 114.94 117.72 1g3p s ASN 143 Ca -0.13 -0.54 0.04 0.00 0.42 0.00 0.00 52.86 52.64 1g3p s ASN 143 Cb -0.15 -1.83 0.13 0.00 -1.45 0.00 0.00 41.25 37.94 1g3p s ASN 143 CO 0.02 -0.11 0.24 -0.13 -3.72 0.00 0.00 177.10 173.40 1g3p s ARG 144 N 1.50 1.90 -1.46 0.43 0.52 0.02 -4.79 118.95 117.07 1g3p s ARG 144 Ca 0.04 -2.52 -0.10 0.00 -0.52 0.00 0.00 55.73 52.63 1g3p s ARG 144 Cb -0.16 -3.27 0.06 0.00 0.52 0.00 0.00 34.95 32.10 1g3p s ARG 144 CO 0.01 -1.09 0.95 1.04 0.02 0.00 0.00 175.30 176.22 1g3p n GLN 145 N 3.25 -5.72 0.00 3.54 6.02 -1.26 -1.37 117.38 121.84 1g3p n GLN 145 Ca 0.05 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1g3p n GLN 145 Cb 0.33 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.12 1g3p n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g3p n GLY 146 N -1.70 1.47 3.62 1.08 0.00 -1.26 -5.02 105.19 103.38 1g3p n GLY 146 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1g3p n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3p s ALA 147 N -2.32 3.60 -0.17 4.61 0.00 -0.47 -5.05 121.76 121.96 1g3p s ALA 147 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1g3p s ALA 147 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1g3p s ALA 147 CO 0.00 -0.82 0.10 -0.51 0.00 0.00 0.00 175.76 174.53 1g3p s LEU 148 N 2.46 4.04 0.16 0.00 1.43 -1.26 -0.80 118.68 124.72 1g3p s LEU 148 Ca 0.25 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.65 1g3p s LEU 148 Cb -0.15 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1g3p s LEU 148 CO 0.09 0.24 -0.18 0.42 0.23 0.00 0.00 176.35 177.15 1g3p s THR 149 N -0.02 1.82 -0.01 5.49 -4.23 -0.51 -0.87 115.64 117.31 1g3p s THR 149 Ca 0.08 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1g3p s THR 149 Cb -0.12 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 1g3p s THR 149 CO 0.00 -0.31 -0.15 0.54 -0.54 0.00 0.00 174.62 174.17 1g3p s VAL 150 N -2.03 1.16 0.05 2.29 0.11 0.98 -1.11 120.40 121.85 1g3p s VAL 150 Ca 0.16 -0.62 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 1g3p s VAL 150 Cb -0.06 -0.97 -0.08 0.00 -1.53 0.00 0.00 36.38 33.74 1g3p s VAL 150 CO 0.07 0.33 1.74 -0.47 -3.33 0.00 0.00 175.10 173.44 1g3p s TYR 151 N -0.30 2.08 -0.31 1.54 5.04 0.06 -0.83 117.35 124.64 1g3p s TYR 151 Ca 0.05 0.09 0.10 0.00 -2.44 0.00 0.00 57.07 54.87 1g3p s TYR 151 Cb -0.06 -4.04 0.46 0.00 0.35 0.00 0.00 41.96 38.67 1g3p s TYR 151 CO -0.00 -4.36 1.16 0.25 -1.34 0.00 0.00 175.55 171.26 1g3p n THR 152 N 5.02 2.24 -3.66 4.34 -2.24 0.04 -4.75 114.28 115.28 1g3p n THR 152 Ca 0.17 -4.05 0.00 0.00 -2.27 0.00 0.00 64.05 57.90 1g3p n THR 152 Cb 0.41 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1g3p n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g3p n GLY 153 N -0.64 -1.35 3.63 3.38 0.00 -1.24 -4.40 105.19 104.57 1g3p n GLY 153 Ca 0.36 -1.34 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1g3p n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g3p s THR 154 N 0.00 2.52 0.08 2.61 -4.23 -1.26 -0.57 115.64 114.79 1g3p s THR 154 Ca 0.00 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 1g3p s THR 154 Cb 0.00 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1g3p s THR 154 CO 0.00 -0.17 0.23 0.68 -0.54 0.00 0.00 174.62 174.82 1g3p s VAL 155 N -2.55 0.12 0.13 2.29 -7.23 -0.61 -4.89 120.40 107.67 1g3p s VAL 155 Ca 0.35 -1.01 0.09 0.00 -1.81 0.00 0.00 61.98 59.60 1g3p s VAL 155 Cb 0.01 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1g3p s VAL 155 CO 0.19 -0.56 -0.21 0.42 -0.31 0.00 0.00 175.10 174.63 1g3p s THR 156 N -3.50 1.87 -0.02 5.32 -4.23 -1.26 0.02 115.64 113.85 1g3p s THR 156 Ca 0.02 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1g3p s THR 156 Cb 0.03 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1g3p s THR 156 CO -0.09 -0.12 -0.07 -1.10 -0.54 0.00 0.00 174.62 172.70 1g3p s GLN 157 N -2.24 0.73 0.00 3.99 -0.21 -0.63 -4.98 119.66 116.31 1g3p s GLN 157 Ca 0.11 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.25 1g3p s GLN 157 Cb -0.09 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.22 1g3p s GLN 157 CO 0.06 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.73 1g3p n GLY 158 N 3.23 -0.67 0.00 3.09 0.00 -1.26 -1.50 105.19 108.09 1g3p n GLY 158 Ca -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1g3p n GLY 158 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1g3p n THR 159 N -0.16 0.00 -3.08 2.61 5.66 -1.26 -4.09 114.28 113.96 1g3p n THR 159 Ca 0.00 -0.10 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 1g3p n THR 159 Cb 0.00 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 1g3p n THR 159 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1g3p s ASP 160 N -1.01 -0.64 0.50 1.09 -1.08 -1.26 -3.97 116.67 110.30 1g3p s ASP 160 Ca 0.00 -1.61 -0.02 0.00 -0.52 0.00 0.00 52.55 50.40 1g3p s ASP 160 Cb 0.00 1.38 0.00 0.00 -1.46 0.00 0.00 42.92 42.84 1g3p s ASP 160 CO 0.00 -0.14 0.75 -2.16 0.52 0.00 0.00 175.17 174.15 1g3p s PRO 161 N 1.14 3.00 -0.02 4.34 0.04 -1.26 -5.13 135.00 137.10 1g3p s PRO 161 Ca 0.24 -0.33 -0.27 0.00 0.04 0.00 0.00 61.00 60.68 1g3p s PRO 161 Cb -0.03 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1g3p s PRO 161 CO -0.07 -0.43 0.85 0.08 0.04 0.00 0.00 177.00 177.47 1g3p s VAL 162 N -2.71 4.93 -0.10 -0.36 1.01 -1.25 -4.46 120.40 117.46 1g3p s VAL 162 Ca 0.51 1.78 0.01 0.00 0.00 0.00 0.00 61.98 64.28 1g3p s VAL 162 Cb -0.10 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1g3p s VAL 162 CO 0.40 0.21 -0.10 -0.75 0.00 0.00 0.00 175.10 174.86 1g3p s LYS 163 N 0.85 1.68 0.02 2.72 2.20 -0.56 -4.97 119.74 121.68 1g3p s LYS 163 Ca 0.45 -0.35 -0.19 0.00 -0.36 0.00 0.00 55.97 55.52 1g3p s LYS 163 Cb -0.20 -1.56 -0.06 0.00 -1.51 0.00 0.00 37.83 34.51 1g3p s LYS 163 CO 0.24 -0.14 0.55 0.99 -0.36 0.00 0.00 175.35 176.63 1g3p s THR 164 N 1.23 4.88 0.10 3.43 2.01 -1.26 -1.60 115.64 124.43 1g3p s THR 164 Ca -0.04 1.16 0.09 0.00 0.31 0.00 0.00 61.69 63.22 1g3p s THR 164 Cb -0.14 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1g3p s THR 164 CO -0.03 0.48 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.83 1g3p s TYR 165 N -0.60 2.09 -0.25 4.92 1.51 0.10 -4.75 117.35 120.38 1g3p s TYR 165 Ca 0.29 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.80 1g3p s TYR 165 Cb -0.18 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1g3p s TYR 165 CO 0.17 0.24 0.41 0.71 -1.11 0.00 0.00 175.55 175.97 1g3p s TYR 166 N -1.03 3.28 -0.17 2.71 2.02 0.11 -1.57 117.35 122.69 1g3p s TYR 166 Ca 0.11 0.50 -0.20 0.00 -0.37 0.00 0.00 57.07 57.11 1g3p s TYR 166 Cb -0.10 -2.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 1g3p s TYR 166 CO 0.04 -0.20 0.58 -1.14 -1.57 0.00 0.00 175.55 173.27 1g3p s GLN 167 N 1.97 4.25 -0.31 -0.62 0.74 0.27 -0.61 119.66 125.34 1g3p s GLN 167 Ca 0.17 0.56 0.02 0.00 0.05 0.00 0.00 55.36 56.16 1g3p s GLN 167 Cb -0.16 -3.54 0.08 0.00 1.10 0.00 0.00 33.01 30.50 1g3p s GLN 167 CO 0.09 -0.13 0.01 0.71 -0.55 0.00 0.00 175.29 175.42 1g3p s TYR 168 N 1.53 3.50 -0.04 1.67 1.51 0.63 -0.78 117.35 125.37 1g3p s TYR 168 Ca 0.28 -2.52 -0.19 0.00 -1.01 0.00 0.00 57.07 53.62 1g3p s TYR 168 Cb -0.16 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1g3p s TYR 168 CO 0.11 -0.91 0.54 0.99 -1.11 0.00 0.00 175.55 175.17 1g3p s THR 169 N 1.05 5.00 0.25 -0.71 2.01 -0.01 -0.14 115.64 123.11 1g3p s THR 169 Ca 0.01 1.12 -0.31 0.00 0.31 0.00 0.00 61.69 62.82 1g3p s THR 169 Cb -0.20 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.32 1g3p s THR 169 CO -0.05 0.41 1.62 -0.81 -0.69 0.00 0.00 174.62 175.09 1g3p n PRO 170 N 2.88 2.63 -1.82 4.92 -0.04 -1.26 -0.01 135.00 142.29 1g3p n PRO 170 Ca -0.08 0.94 -0.41 0.00 -0.04 0.00 0.00 63.50 63.91 1g3p n PRO 170 Cb 0.51 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 31.23 1g3p n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1g3p s VAL 171 N 0.39 2.19 -0.12 0.52 1.01 -0.05 -4.81 120.40 119.52 1g3p s VAL 171 Ca 0.69 0.16 0.17 0.00 0.00 0.00 0.00 61.98 62.99 1g3p s VAL 171 Cb -0.52 -3.10 0.28 0.00 0.00 0.00 0.00 36.38 33.03 1g3p s VAL 171 CO 0.43 0.02 1.14 -1.54 0.00 0.00 0.00 175.10 175.16 1g3p n SER 172 N 2.34 2.08 -4.51 3.32 3.41 0.54 -4.67 113.62 116.13 1g3p n SER 172 Ca 0.08 -3.06 -0.36 0.00 -0.26 0.00 0.00 58.87 55.28 1g3p n SER 172 Cb 0.38 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 1g3p n SER 172 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1g3p s SER 173 N -2.74 5.26 0.27 4.04 0.15 -1.06 -0.70 113.70 118.92 1g3p s SER 173 Ca 0.30 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1g3p s SER 173 Cb 0.26 -1.93 0.38 0.00 -1.71 0.00 0.00 66.02 63.03 1g3p s SER 173 CO 0.02 0.05 1.73 0.50 1.20 0.00 0.00 173.24 176.74 1g3p h LYS 174 N 7.63 0.62 -0.82 5.44 1.63 -1.89 -2.42 116.57 126.76 1g3p h LYS 174 Ca -0.37 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.20 1g3p h LYS 174 Cb 1.18 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.72 1g3p h LYS 174 CO 0.62 0.74 0.42 0.00 -3.45 0.00 0.00 179.45 177.78 1g3p h ALA 175 N 1.28 1.05 -0.13 5.00 0.00 -1.97 0.19 119.26 124.68 1g3p h ALA 175 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1g3p h ALA 175 Cb 0.58 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1g3p h ALA 175 CO 0.04 0.60 0.01 1.98 0.00 0.00 0.00 179.25 181.87 1g3p h MET 176 N 1.15 0.23 -0.41 0.00 1.85 -1.87 -2.17 114.93 113.72 1g3p h MET 176 Ca 0.28 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.26 1g3p h MET 176 Cb 0.08 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1g3p h MET 176 CO -0.04 0.46 0.06 1.88 -0.40 0.00 0.00 176.91 178.86 1g3p h TYR 177 N -0.02 0.64 -0.45 1.39 0.05 -1.21 -1.78 116.97 115.58 1g3p h TYR 177 Ca 0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1g3p h TYR 177 Cb 0.35 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1g3p h TYR 177 CO 0.03 0.58 0.20 -0.44 -1.05 0.00 0.00 178.16 177.48 1g3p h ASP 178 N 0.60 0.60 -0.65 3.88 3.32 -0.45 0.25 116.42 123.96 1g3p h ASP 178 Ca 0.13 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1g3p h ASP 178 Cb 0.29 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1g3p h ASP 178 CO 0.00 0.58 0.37 0.00 -1.72 0.00 0.00 179.24 178.47 1g3p h ALA 179 N 1.05 0.83 0.15 3.45 0.00 -1.04 -0.03 119.26 123.66 1g3p h ALA 179 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1g3p h ALA 179 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1g3p h ALA 179 CO -0.02 0.34 -0.07 -0.92 0.00 0.00 0.00 179.25 178.58 1g3p h TYR 180 N 0.89 -0.18 -0.16 0.00 3.20 -0.88 -1.23 116.97 118.60 1g3p h TYR 180 Ca 0.23 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1g3p h TYR 180 Cb 0.02 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1g3p h TYR 180 CO -0.01 -0.06 0.03 -1.49 -1.64 0.00 0.00 178.16 174.99 1g3p h TRP 181 N -0.26 0.22 -0.06 -3.82 6.55 -0.25 -1.48 115.95 116.85 1g3p h TRP 181 Ca -0.02 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1g3p h TRP 181 Cb 0.21 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1g3p h TRP 181 CO -0.05 0.21 0.00 0.09 -1.05 0.00 0.00 178.44 177.64 1g3p n ASN 182 N -4.43 0.38 -0.29 -3.49 5.03 -0.05 -4.88 115.26 107.53 1g3p n ASN 182 Ca -0.01 -2.00 -0.04 0.00 0.87 0.00 0.00 54.58 53.40 1g3p n ASN 182 Cb 0.14 -0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 38.82 1g3p n ASN 182 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g3p n GLY 183 N 0.55 0.66 0.30 7.41 0.00 -0.56 -4.92 105.19 108.63 1g3p n GLY 183 Ca 0.02 -0.43 0.19 0.00 0.00 0.00 0.00 46.02 45.80 1g3p n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3p h LYS 184 N 0.29 0.00 -0.28 1.61 1.79 -1.39 -3.04 116.57 115.55 1g3p h LYS 184 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1g3p h LYS 184 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1g3p h LYS 184 CO 0.11 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.68 1g3p n PHE 185 N -3.10 0.97 -0.10 -1.35 3.72 -1.26 -4.47 117.46 111.87 1g3p n PHE 185 Ca -0.01 -0.85 0.14 0.00 -0.05 0.00 0.00 57.45 56.68 1g3p n PHE 185 Cb 0.23 -0.31 0.52 0.00 -0.94 0.00 0.00 39.48 38.98 1g3p n PHE 185 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g3p h ARG 186 N 1.93 0.37 0.00 -1.08 3.08 -1.89 -0.07 114.38 116.71 1g3p h ARG 186 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1g3p h ARG 186 Cb 1.43 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1g3p h ARG 186 CO 0.22 0.24 0.00 -0.40 -1.07 0.00 0.00 179.97 178.96 1g3p n ASP 187 N -4.47 0.66 0.00 7.04 5.75 -1.26 -4.36 116.55 119.91 1g3p n ASP 187 Ca 0.11 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 1g3p n ASP 187 Cb 0.44 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1g3p n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g3p n ALA 189 N -0.75 2.50 -1.53 0.00 0.00 -0.17 -4.35 120.51 116.21 1g3p n ALA 189 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 53.44 52.88 1g3p n ALA 189 Cb 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 18.58 1g3p n ALA 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1g3p n PHE 190 N 0.67 0.00 -2.57 0.00 3.72 -1.26 -4.70 117.46 113.32 1g3p n PHE 190 Ca 0.17 -1.12 -0.36 0.00 -0.05 0.00 0.00 57.45 56.10 1g3p n PHE 190 Cb 0.43 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1g3p n PHE 190 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1g3p s HIS 191 N -2.56 3.23 0.03 1.38 3.76 -1.26 -5.06 115.29 114.82 1g3p s HIS 191 Ca 0.33 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.87 1g3p s HIS 191 Cb 0.31 -3.09 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1g3p s HIS 191 CO -0.04 -0.60 -0.04 0.45 -0.85 0.00 0.00 174.74 173.66 1g3p s SER 192 N -1.69 0.40 0.00 1.40 0.15 -1.26 -4.83 113.70 107.87 1g3p s SER 192 Ca 0.60 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1g3p s SER 192 Cb -0.20 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1g3p s SER 192 CO 0.25 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1g3p n GLY 193 N 1.15 1.50 3.55 9.45 0.00 -1.26 -4.81 105.19 114.77 1g3p n GLY 193 Ca -0.21 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 1g3p n GLY 193 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1g3p s PHE 194 N -1.63 2.94 -0.11 1.61 2.19 -1.26 -4.70 117.98 117.03 1g3p s PHE 194 Ca 0.00 -1.73 -0.05 0.00 0.33 0.00 0.00 56.93 55.48 1g3p s PHE 194 Cb 0.00 -4.65 -0.04 0.00 -1.31 0.00 0.00 43.02 37.02 1g3p s PHE 194 CO 0.00 -1.72 0.07 -0.80 1.83 0.00 0.00 175.22 174.61 1g3p s ASN 195 N 3.92 5.83 0.00 6.13 0.01 -1.26 -4.99 114.94 124.58 1g3p s ASN 195 Ca 0.51 0.30 0.23 0.00 -0.71 0.00 0.00 52.86 53.20 1g3p s ASN 195 Cb 0.02 -1.80 0.33 0.00 0.41 0.00 0.00 41.25 40.22 1g3p s ASN 195 CO 0.06 0.38 1.33 -0.62 -1.51 0.00 0.00 177.10 176.74 1g3p n GLU 196 N 2.13 2.39 -2.32 -0.60 1.02 -1.26 -4.54 120.64 117.46 1g3p n GLU 196 Ca -0.19 -2.13 -0.39 0.00 -0.02 0.00 0.00 57.16 54.43 1g3p n GLU 196 Cb 0.54 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 1g3p n GLU 196 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g3p s ASP 197 N -1.65 6.66 -0.77 1.62 1.11 -1.26 -4.96 116.67 117.42 1g3p s ASP 197 Ca 0.34 2.34 -0.14 0.00 0.18 0.00 0.00 52.55 55.27 1g3p s ASP 197 Cb 0.21 -2.62 0.20 0.00 1.07 0.00 0.00 42.92 41.79 1g3p s ASP 197 CO 0.30 -0.58 0.71 0.27 1.18 0.00 0.00 175.17 177.05 1g3p s ILE 198 N -1.38 5.52 0.14 0.77 -4.36 -1.26 -4.83 121.20 115.80 1g3p s ILE 198 Ca 0.55 -2.29 -0.31 0.00 -0.26 0.00 0.00 60.65 58.34 1g3p s ILE 198 Cb -0.31 -4.43 -0.08 0.00 1.25 0.00 0.00 42.46 38.89 1g3p s ILE 198 CO 0.39 -1.00 1.32 -0.36 0.24 0.00 0.00 174.94 175.54 1g3p s PHE 199 N 0.44 3.29 -0.12 1.37 0.08 -1.26 -4.94 117.98 116.84 1g3p s PHE 199 Ca 0.15 1.13 0.03 0.00 0.12 0.00 0.00 56.93 58.35 1g3p s PHE 199 Cb -0.14 -3.60 0.01 0.00 -0.57 0.00 0.00 43.02 38.72 1g3p s PHE 199 CO -0.07 -1.98 -0.20 0.08 -0.10 0.00 0.00 175.22 172.96 1g3p s VAL 200 N 0.66 1.84 0.44 -0.44 1.01 -1.26 -0.13 120.40 122.53 1g3p s VAL 200 Ca 0.60 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 1g3p s VAL 200 Cb -0.35 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1g3p s VAL 200 CO 0.33 0.51 1.22 0.00 0.00 0.00 0.00 175.10 177.16 1g3p h GLU 202 N 2.25 0.03 -5.82 0.00 5.08 -1.90 -3.42 114.58 110.81 1g3p h GLU 202 Ca -0.49 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.25 1g3p h GLU 202 Cb 1.25 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1g3p h GLU 202 CO 0.61 0.76 0.26 -0.47 -1.00 0.00 0.00 179.01 179.17 1g3p s TYR 203 N -3.33 3.41 -0.43 4.33 5.04 -1.26 -4.93 117.35 120.17 1g3p s TYR 203 Ca -0.01 1.11 0.07 0.00 -2.44 0.00 0.00 57.07 55.80 1g3p s TYR 203 Cb 0.12 -2.91 0.18 0.00 0.35 0.00 0.00 41.96 39.70 1g3p s TYR 203 CO 0.79 -0.20 1.14 1.04 -1.34 0.00 0.00 175.55 176.98 1g3p n GLN 204 N 5.09 2.85 0.00 4.97 1.13 -1.26 -4.87 117.38 125.28 1g3p n GLN 204 Ca 0.02 -1.88 0.00 0.00 -1.94 0.00 0.00 57.00 53.20 1g3p n GLN 204 Cb 0.49 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1g3p n GLN 204 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g3p n GLY 205 N -0.10 1.75 3.71 1.08 0.00 -1.26 -4.70 105.19 105.67 1g3p n GLY 205 Ca 0.07 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1g3p n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3p s GLN 206 N -1.49 4.32 0.27 1.61 -1.52 -1.26 -4.75 119.66 116.84 1g3p s GLN 206 Ca 0.00 2.06 -0.30 0.00 -1.95 0.00 0.00 55.36 55.17 1g3p s GLN 206 Cb 0.00 -3.27 -0.10 0.00 -0.22 0.00 0.00 33.01 29.41 1g3p s GLN 206 CO 0.00 -0.44 1.48 0.45 -0.25 0.00 0.00 175.29 176.53 1g3p s SER 207 N 1.16 6.57 0.00 5.90 0.15 -1.26 -0.63 113.70 125.59 1g3p s SER 207 Ca 0.64 2.76 0.00 0.00 0.70 0.00 0.00 55.95 60.05 1g3p s SER 207 Cb -0.36 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 1g3p s SER 207 CO 0.30 -0.76 0.00 -0.24 1.20 0.00 0.00 173.24 173.74 1g3p n SER 208 N 2.13 0.00 -3.92 5.45 2.88 -0.50 -4.86 113.62 114.80 1g3p n SER 208 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 1g3p n SER 208 Cb 0.39 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 1g3p n SER 208 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1g3p s ASP 209 N 1.83 0.03 -0.00 -3.46 -4.77 -1.26 -0.81 116.67 108.24 1g3p s ASP 209 Ca 0.00 -0.79 0.04 0.00 -3.30 0.00 0.00 52.55 48.50 1g3p s ASP 209 Cb 0.00 0.42 -0.01 0.00 -1.09 0.00 0.00 42.92 42.24 1g3p s ASP 209 CO 0.00 -0.87 -0.12 -0.76 0.70 0.00 0.00 175.17 174.12 1g3p s LEU 210 N -2.94 2.05 0.73 2.11 1.02 -0.11 -4.82 118.68 116.73 1g3p s LEU 210 Ca 0.14 -0.26 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 1g3p s LEU 210 Cb 0.03 -0.61 0.03 0.00 0.02 0.00 0.00 46.19 45.66 1g3p s LEU 210 CO -0.03 0.13 1.07 -2.16 0.02 0.00 0.00 176.35 175.38 1g3p s PRO 211 N -0.42 2.64 0.04 1.29 0.04 -1.26 -1.08 135.00 136.25 1g3p s PRO 211 Ca 0.04 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1g3p s PRO 211 Cb -0.05 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1g3p s PRO 211 CO -0.00 -1.32 -0.01 -0.65 0.04 0.00 0.00 177.00 175.06 1g3p s GLN 212 N -5.02 0.49 0.75 4.56 -1.52 -1.26 -4.60 119.66 113.07 1g3p s GLN 212 Ca 0.59 -0.92 -0.11 0.00 -1.95 0.00 0.00 55.36 52.98 1g3p s GLN 212 Cb -0.15 0.18 0.05 0.00 -0.22 0.00 0.00 33.01 32.87 1g3p s GLN 212 CO 0.55 -0.09 1.11 -1.25 -0.25 0.00 0.00 175.29 175.36 1g3p s PRO 213 N -2.78 2.30 0.33 2.91 0.04 -1.15 -3.68 135.00 132.97 1g3p s PRO 213 Ca -0.04 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 60.86 1g3p s PRO 213 Cb -0.00 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1g3p s PRO 213 CO -0.06 -1.33 1.25 -1.25 0.04 0.00 0.00 177.00 175.65 1g3p s PRO 214 N -5.43 4.37 0.49 0.56 0.04 -1.26 -4.78 135.00 128.99 1g3p s PRO 214 Ca 0.60 2.09 0.26 0.00 0.04 0.00 0.00 61.00 63.99 1g3p s PRO 214 Cb -0.11 -3.04 1.23 0.00 0.04 0.00 0.00 34.50 32.61 1g3p s PRO 214 CO 0.49 -0.13 1.96 -0.39 0.04 0.00 0.00 177.00 178.97 1g3p h VAL 215 N 2.95 0.55 -0.85 -0.36 -1.51 -1.41 -2.91 116.25 112.71 1g3p h VAL 215 Ca -0.48 -0.80 -0.46 0.00 -1.23 0.00 0.00 66.70 63.73 1g3p h VAL 215 Cb 1.22 1.53 -0.27 0.00 -2.13 0.00 0.00 31.29 31.65 1g3p h VAL 215 CO 0.65 0.16 0.49 -0.46 -1.23 0.00 0.00 177.57 177.18 1g3p n ASN 216 N -3.51 3.77 0.00 4.19 6.94 -1.26 -5.06 115.26 120.33 1g3p n ASN 216 Ca -0.01 -3.67 0.03 0.00 -0.02 0.00 0.00 54.58 50.92 1g3p n ASN 216 Cb 0.32 -0.80 0.21 0.00 -2.36 0.00 0.00 39.78 37.15 1g3p n ASN 216 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23