#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0p s GLU 2 N 0.00 2.45 0.28 3.69 0.41 -1.26 -4.84 118.70 119.43 1t0p s GLU 2 Ca 0.00 -1.25 0.05 0.00 -0.41 0.00 0.00 54.97 53.36 1t0p s GLU 2 Cb 0.00 -3.16 -0.06 0.00 -1.78 0.00 0.00 34.13 29.13 1t0p s GLU 2 CO 0.00 -0.60 -0.01 -0.06 -0.49 0.00 0.00 175.26 174.10 1t0p s PHE 3 N 1.25 1.84 0.12 1.61 0.40 -1.26 -5.10 117.98 116.85 1t0p s PHE 3 Ca -0.05 -0.84 0.05 0.00 -0.60 0.00 0.00 56.93 55.49 1t0p s PHE 3 Cb -0.20 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1t0p s PHE 3 CO -0.01 0.11 0.05 -0.51 0.70 0.00 0.00 175.22 175.56 1t0p s LEU 4 N -3.42 3.60 -0.37 -0.37 1.43 -1.26 -5.00 118.68 113.29 1t0p s LEU 4 Ca 0.31 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1t0p s LEU 4 Cb 0.06 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 44.08 1t0p s LEU 4 CO 0.12 0.13 0.16 -0.22 0.23 0.00 0.00 176.35 176.76 1t0p s LEU 5 N -2.67 4.71 0.14 1.79 2.96 -1.26 -4.34 118.68 120.02 1t0p s LEU 5 Ca 0.28 -1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 52.44 1t0p s LEU 5 Cb -0.11 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 1t0p s LEU 5 CO 0.21 -0.43 0.88 -0.60 -1.32 0.00 0.00 176.35 175.09 1t0p s ARG 6 N 1.33 4.68 -0.24 1.98 3.52 0.62 -4.15 118.95 126.68 1t0p s ARG 6 Ca 0.01 1.33 0.03 0.00 -0.13 0.00 0.00 55.73 56.97 1t0p s ARG 6 Cb -0.21 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1t0p s ARG 6 CO 0.00 0.38 -0.12 0.08 -0.81 0.00 0.00 175.30 174.83 1t0p s VAL 7 N -0.54 2.11 -0.10 7.11 1.01 -1.26 -1.29 120.40 127.44 1t0p s VAL 7 Ca 0.42 -1.49 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1t0p s VAL 7 Cb -0.23 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1t0p s VAL 7 CO 0.28 0.07 -0.19 -0.70 0.00 0.00 0.00 175.10 174.57 1t0p s GLU 8 N 1.15 3.10 0.45 2.72 2.56 -0.21 -3.09 118.70 125.38 1t0p s GLU 8 Ca -0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 54.97 53.91 1t0p s GLU 8 Cb -0.19 -2.44 -0.09 0.00 2.00 0.00 0.00 34.13 33.41 1t0p s GLU 8 CO -0.06 0.25 1.02 -1.25 -0.56 0.00 0.00 175.26 174.65 1t0p s PRO 9 N 0.20 4.01 -0.19 4.30 0.04 -1.26 0.11 135.00 142.21 1t0p s PRO 9 Ca -0.11 1.34 -0.21 0.00 0.04 0.00 0.00 61.00 62.05 1t0p s PRO 9 Cb -0.16 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1t0p s PRO 9 CO 0.06 -0.24 0.66 -1.14 0.04 0.00 0.00 177.00 176.37 1t0p s GLN 10 N -3.00 4.22 -1.24 4.56 2.00 -1.18 -4.39 119.66 120.63 1t0p s GLN 10 Ca 0.63 0.67 -0.24 0.00 -2.00 0.00 0.00 55.36 54.42 1t0p s GLN 10 Cb -0.16 -3.58 0.02 0.00 0.80 0.00 0.00 33.01 30.09 1t0p s GLN 10 CO 0.20 -0.25 0.63 0.09 -0.50 0.00 0.00 175.29 175.46 1t0p n ASN 11 N 5.06 -3.64 -4.78 6.67 5.03 -1.26 -4.92 115.26 117.42 1t0p n ASN 11 Ca -0.01 -1.19 -0.36 0.00 0.87 0.00 0.00 54.58 53.90 1t0p n ASN 11 Cb 0.50 -2.30 -0.03 0.00 -1.02 0.00 0.00 39.78 36.93 1t0p n ASN 11 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1t0p s PRO 12 N -6.92 3.90 -0.27 3.52 0.04 -1.23 -4.88 135.00 129.16 1t0p s PRO 12 Ca 0.40 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1t0p s PRO 12 Cb -0.19 -2.35 0.07 0.00 0.04 0.00 0.00 34.50 32.07 1t0p s PRO 12 CO 0.94 -0.38 -0.04 0.08 0.04 0.00 0.00 177.00 177.64 1t0p s VAL 13 N -1.72 1.87 0.48 -0.36 1.01 -1.26 -1.25 120.40 119.18 1t0p s VAL 13 Ca 0.63 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1t0p s VAL 13 Cb -0.22 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1t0p s VAL 13 CO 0.27 -0.22 0.06 -1.48 0.00 0.00 0.00 175.10 173.74 1t0p s LEU 14 N 1.20 2.11 0.00 3.92 2.34 -0.01 -5.00 118.68 123.24 1t0p s LEU 14 Ca -0.02 -1.71 0.00 0.00 0.06 0.00 0.00 54.13 52.45 1t0p s LEU 14 Cb -0.19 -0.43 0.00 0.00 -0.56 0.00 0.00 46.19 45.01 1t0p s LEU 14 CO -0.07 -0.95 0.00 -1.54 -1.06 0.00 0.00 176.35 172.73 1t0p n SER 15 N -1.37 1.99 0.00 1.48 3.41 -1.26 -1.42 113.62 116.45 1t0p n SER 15 Ca -0.15 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1t0p n SER 15 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1t0p n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t0p n ALA 16 N -3.00 0.00 0.00 7.33 0.00 -1.26 -4.56 120.51 119.02 1t0p n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t0p n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t0p n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0p n GLY 17 N 0.00 -0.65 0.00 0.00 0.00 -1.26 -4.79 105.19 98.50 1t0p n GLY 17 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1t0p n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t0p n GLY 18 N 0.00 0.22 3.35 -0.02 0.00 -1.26 -3.97 105.19 103.51 1t0p n GLY 18 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1t0p n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t0p s SER 19 N -1.00 1.96 -0.12 1.61 0.01 -1.26 -2.10 113.70 112.80 1t0p s SER 19 Ca 0.00 -1.23 -0.09 0.00 1.31 0.00 0.00 55.95 55.95 1t0p s SER 19 Cb 0.00 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.25 1t0p s SER 19 CO 0.00 -0.50 0.30 -0.22 0.41 0.00 0.00 173.24 173.23 1t0p s LEU 20 N -3.33 0.56 -0.32 2.44 2.96 -0.33 -4.97 118.68 115.70 1t0p s LEU 20 Ca 0.29 0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 1t0p s LEU 20 Cb 0.06 0.98 -0.02 0.00 0.50 0.00 0.00 46.19 47.71 1t0p s LEU 20 CO 0.09 -0.14 0.37 -0.36 -1.32 0.00 0.00 176.35 175.00 1t0p s PHE 21 N 0.71 3.22 -0.11 5.38 0.08 -1.26 -0.87 117.98 125.12 1t0p s PHE 21 Ca -0.05 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1t0p s PHE 21 Cb -0.06 -2.65 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 1t0p s PHE 21 CO -0.05 -0.37 -0.12 0.08 -0.10 0.00 0.00 175.22 174.67 1t0p s VAL 22 N 2.06 3.16 -0.19 -0.44 1.01 -0.19 -4.28 120.40 121.53 1t0p s VAL 22 Ca 0.13 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1t0p s VAL 22 Cb -0.16 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1t0p s VAL 22 CO 0.11 0.54 -0.19 0.21 0.00 0.00 0.00 175.10 175.77 1t0p s ASN 23 N 0.10 3.25 -0.25 3.32 3.84 0.12 -0.36 114.94 124.95 1t0p s ASN 23 Ca -0.05 -0.72 -0.07 0.00 0.21 0.00 0.00 52.86 52.22 1t0p s ASN 23 Cb -0.15 -1.47 -0.03 0.00 -0.55 0.00 0.00 41.25 39.06 1t0p s ASN 23 CO 0.04 -0.03 0.07 0.00 -2.79 0.00 0.00 177.10 174.40 1t0p s SER 25 N 1.62 0.45 0.01 0.00 1.04 -0.41 -1.45 113.70 114.97 1t0p s SER 25 Ca 0.06 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.42 1t0p s SER 25 Cb -0.15 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1t0p s SER 25 CO 0.04 -0.56 0.33 0.28 0.98 0.00 0.00 173.24 174.30 1t0p s THR 26 N -3.58 0.07 -2.15 2.02 -1.32 0.13 -0.28 115.64 110.53 1t0p s THR 26 Ca 0.04 -0.55 0.21 0.00 -1.21 0.00 0.00 61.69 60.18 1t0p s THR 26 Cb 0.05 -0.79 0.53 0.00 -1.51 0.00 0.00 72.50 70.78 1t0p s THR 26 CO -0.09 -0.30 1.47 -0.90 -2.21 0.00 0.00 174.62 172.59 1t0p n ASP 27 N 0.91 3.36 -4.69 8.08 3.85 -1.26 -4.69 116.55 122.12 1t0p n ASP 27 Ca -0.20 -1.98 -0.42 0.00 -0.71 0.00 0.00 54.79 51.48 1t0p n ASP 27 Cb 0.58 -0.36 -0.03 0.00 -1.35 0.00 0.00 41.12 39.95 1t0p n ASP 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1t0p s PRO 29 N 2.83 4.13 -1.30 0.00 0.02 -1.26 -3.12 135.00 136.30 1t0p s PRO 29 Ca 0.74 2.58 -0.03 0.00 0.02 0.00 0.00 61.00 64.32 1t0p s PRO 29 Cb -0.39 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.06 1t0p s PRO 29 CO 0.32 -0.71 0.66 0.43 -0.33 0.00 0.00 177.00 177.37 1t0p n SER 30 N 3.44 -1.71 -4.76 2.53 7.64 -1.26 -4.75 113.62 114.75 1t0p n SER 30 Ca 0.13 -0.88 -0.34 0.00 1.01 0.00 0.00 58.87 58.80 1t0p n SER 30 Cb 0.36 -3.81 0.05 0.00 -1.01 0.00 0.00 64.21 59.80 1t0p n SER 30 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1t0p s SER 31 N -4.22 4.96 -0.02 6.43 1.04 -1.18 -4.79 113.70 115.92 1t0p s SER 31 Ca 0.08 2.13 0.04 0.00 0.48 0.00 0.00 55.95 58.68 1t0p s SER 31 Cb -0.02 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1t0p s SER 31 CO 0.83 -1.73 -0.14 -1.61 0.98 0.00 0.00 173.24 171.57 1t0p s GLU 32 N -3.90 1.24 -0.29 4.02 2.02 -0.52 -4.87 118.70 116.39 1t0p s GLU 32 Ca 0.70 -0.49 -0.17 0.00 0.02 0.00 0.00 54.97 55.03 1t0p s GLU 32 Cb -0.24 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 32.86 1t0p s GLU 32 CO 0.40 0.26 0.35 1.17 0.02 0.00 0.00 175.26 177.47 1t0p n LYS 33 N 2.90 -1.81 -2.91 1.61 4.81 -1.26 -0.70 118.16 120.80 1t0p n LYS 33 Ca -0.16 1.61 -0.41 0.00 -0.87 0.00 0.00 58.31 58.49 1t0p n LYS 33 Cb 0.55 -3.02 -0.04 0.00 0.02 0.00 0.00 35.03 32.54 1t0p n LYS 33 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1t0p s ILE 34 N -1.59 4.97 0.05 3.15 1.01 -1.26 -4.15 121.20 123.38 1t0p s ILE 34 Ca 0.19 1.69 0.03 0.00 0.00 0.00 0.00 60.65 62.56 1t0p s ILE 34 Cb -0.03 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1t0p s ILE 34 CO 0.59 0.21 -0.10 0.00 0.00 0.00 0.00 174.94 175.65 1t0p s ALA 35 N 0.91 0.74 -0.17 9.38 0.00 -0.35 -4.98 121.76 127.30 1t0p s ALA 35 Ca 0.43 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1t0p s ALA 35 Cb -0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1t0p s ALA 35 CO 0.22 0.05 -0.11 -1.17 0.00 0.00 0.00 175.76 174.75 1t0p s LEU 36 N -1.48 2.68 -0.34 0.00 2.96 -1.26 -0.98 118.68 120.26 1t0p s LEU 36 Ca -0.06 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.32 1t0p s LEU 36 Cb -0.09 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1t0p s LEU 36 CO 0.01 0.07 0.22 -0.70 -1.32 0.00 0.00 176.35 174.63 1t0p s GLU 37 N 0.90 3.37 -0.03 1.98 2.56 0.25 -4.98 118.70 122.75 1t0p s GLU 37 Ca -0.03 -0.72 -0.30 0.00 0.00 0.00 0.00 54.97 53.92 1t0p s GLU 37 Cb -0.15 -3.75 0.07 0.00 2.00 0.00 0.00 34.13 32.31 1t0p s GLU 37 CO -0.00 -0.47 0.68 -0.08 -0.56 0.00 0.00 175.26 174.82 1t0p s THR 38 N 1.68 0.00 -1.68 -1.70 -1.32 -1.26 -1.35 115.64 110.00 1t0p s THR 38 Ca 0.05 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.80 1t0p s THR 38 Cb -0.18 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.12 1t0p s THR 38 CO 0.09 0.00 1.65 -1.54 -2.21 0.00 0.00 174.62 172.61 1t0p n SER 39 N 0.79 0.84 -4.87 8.08 3.41 -1.26 -4.91 113.62 115.70 1t0p n SER 39 Ca -0.19 -0.76 -0.31 0.00 -0.26 0.00 0.00 58.87 57.36 1t0p n SER 39 Cb 0.58 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1t0p n SER 39 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1t0p s LEU 40 N -2.52 3.62 0.14 1.04 1.43 -1.26 -5.01 118.68 116.12 1t0p s LEU 40 Ca 0.25 1.31 -0.31 0.00 -1.03 0.00 0.00 54.13 54.34 1t0p s LEU 40 Cb 0.19 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 42.07 1t0p s LEU 40 CO 0.52 -0.58 1.55 -0.44 0.23 0.00 0.00 176.35 177.63 1t0p s SER 41 N -3.45 6.64 0.08 2.29 0.01 -1.24 -4.94 113.70 113.08 1t0p s SER 41 Ca 0.54 2.53 0.04 0.00 1.31 0.00 0.00 55.95 60.37 1t0p s SER 41 Cb -0.10 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1t0p s SER 41 CO 0.37 -0.80 -0.11 -1.59 0.41 0.00 0.00 173.24 171.52 1t0p s LYS 42 N 1.41 0.79 -0.07 12.44 -2.85 -1.26 -1.70 119.74 128.50 1t0p s LYS 42 Ca 0.70 -1.03 -0.03 0.00 -1.00 0.00 0.00 55.97 54.61 1t0p s LYS 42 Cb -0.42 -0.60 0.04 0.00 -2.06 0.00 0.00 37.83 34.79 1t0p s LYS 42 CO 0.31 0.11 0.13 -2.00 0.10 0.00 0.00 175.35 174.01 1t0p s GLU 43 N -2.26 0.04 -0.06 1.78 2.12 -0.88 -4.98 118.70 114.47 1t0p s GLU 43 Ca 0.01 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.47 1t0p s GLU 43 Cb -0.06 -0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 1t0p s GLU 43 CO 0.01 -0.24 1.43 -1.17 -0.54 0.00 0.00 175.26 174.76 1t0p s LEU 44 N 1.68 4.28 -0.01 2.70 2.96 -1.26 -0.87 118.68 128.16 1t0p s LEU 44 Ca -0.03 2.03 0.08 0.00 -0.22 0.00 0.00 54.13 55.99 1t0p s LEU 44 Cb -0.12 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 1t0p s LEU 44 CO -0.05 -0.79 0.20 1.33 -1.32 0.00 0.00 176.35 175.72 1t0p n VAL 45 N 5.10 0.00 -3.50 1.68 0.24 -0.41 -4.94 118.33 116.50 1t0p n VAL 45 Ca 0.14 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1t0p n VAL 45 Cb 0.44 0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 33.18 1t0p n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t0p s ALA 46 N -2.45 -1.76 -0.02 2.33 0.00 -1.10 -5.01 121.76 113.75 1t0p s ALA 46 Ca -0.02 1.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 1t0p s ALA 46 Cb 0.05 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.44 1t0p s ALA 46 CO 0.34 -0.53 0.62 -1.54 0.00 0.00 0.00 175.76 174.65 1t0p s SER 47 N -1.83 -0.58 0.00 0.00 1.04 -1.26 -0.32 113.70 110.75 1t0p s SER 47 Ca -0.04 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1t0p s SER 47 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1t0p s SER 47 CO -0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1t0p n GLY 48 N 0.81 2.85 3.61 7.32 0.00 -0.67 -5.00 105.19 114.11 1t0p n GLY 48 Ca -0.19 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1t0p n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t0p s MET 49 N -1.81 3.60 0.00 1.61 1.75 -1.26 -2.75 119.30 120.44 1t0p s MET 49 Ca 0.00 1.37 0.00 0.00 -1.25 0.00 0.00 55.69 55.81 1t0p s MET 49 Cb 0.00 -4.07 0.00 0.00 2.84 0.00 0.00 34.83 33.60 1t0p s MET 49 CO 0.00 -1.53 0.00 0.41 -0.65 0.00 0.00 175.02 173.25 1t0p n GLY 50 N 4.99 0.62 3.35 2.11 0.00 -1.26 -4.96 105.19 110.04 1t0p n GLY 50 Ca 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1t0p n GLY 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1t0p s TRP 51 N -2.00 -0.31 -0.13 1.61 1.48 -1.11 -0.70 118.94 117.78 1t0p s TRP 51 Ca 0.00 0.10 -0.09 0.00 -1.06 0.00 0.00 56.10 55.05 1t0p s TRP 51 Cb 0.00 0.33 0.04 0.00 -1.16 0.00 0.00 33.47 32.68 1t0p s TRP 51 CO 0.00 -0.71 0.33 0.00 -4.06 0.00 0.00 176.95 172.51 1t0p s ALA 52 N -3.46 -0.81 -0.06 2.67 0.00 -0.52 -1.67 121.76 117.90 1t0p s ALA 52 Ca 0.01 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1t0p s ALA 52 Cb 0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1t0p s ALA 52 CO -0.10 -0.20 -0.16 0.00 0.00 0.00 0.00 175.76 175.31 1t0p s ALA 53 N 0.80 2.58 0.11 0.00 0.00 0.56 -1.28 121.76 124.54 1t0p s ALA 53 Ca -0.05 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.00 1t0p s ALA 53 Cb -0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1t0p s ALA 53 CO -0.06 0.48 -0.18 -0.06 0.00 0.00 0.00 175.76 175.95 1t0p s PHE 54 N -0.46 1.59 -0.29 0.00 0.08 0.52 -1.29 117.98 118.13 1t0p s PHE 54 Ca 0.06 -0.46 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1t0p s PHE 54 Cb -0.12 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1t0p s PHE 54 CO 0.02 0.17 0.06 1.21 -0.10 0.00 0.00 175.22 176.58 1t0p s ASN 55 N -2.04 5.00 -0.26 1.36 2.47 -0.05 -1.02 114.94 120.39 1t0p s ASN 55 Ca 0.06 -0.73 -0.13 0.00 0.42 0.00 0.00 52.86 52.48 1t0p s ASN 55 Cb -0.09 -1.85 -0.04 0.00 -1.45 0.00 0.00 41.25 37.82 1t0p s ASN 55 CO 0.04 -0.18 0.28 -0.76 -3.72 0.00 0.00 177.10 172.76 1t0p s LEU 56 N 1.47 4.05 0.31 3.21 1.43 -0.05 -2.06 118.68 127.04 1t0p s LEU 56 Ca 0.02 0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1t0p s LEU 56 Cb -0.17 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1t0p s LEU 56 CO 0.01 -0.09 0.06 -0.94 0.23 0.00 0.00 176.35 175.63 1t0p s SER 57 N 1.55 4.56 -1.05 2.29 1.04 -0.69 -1.18 113.70 120.22 1t0p s SER 57 Ca 0.11 -0.75 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 1t0p s SER 57 Cb -0.15 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.22 1t0p s SER 57 CO 0.09 -0.17 0.86 0.59 0.98 0.00 0.00 173.24 175.60 1t0p n ASN 58 N -1.02 -5.32 -4.57 7.02 4.13 -0.89 -3.62 115.26 110.99 1t0p n ASN 58 Ca -0.05 -0.39 -0.43 0.00 1.68 0.00 0.00 54.58 55.39 1t0p n ASN 58 Cb 0.60 -3.95 -0.00 0.00 -1.54 0.00 0.00 39.78 34.89 1t0p n ASN 58 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1t0p s VAL 59 N -3.22 4.13 -0.73 2.41 1.01 -1.19 -4.73 120.40 118.08 1t0p s VAL 59 Ca 0.43 -1.81 0.25 0.00 0.00 0.00 0.00 61.98 60.84 1t0p s VAL 59 Cb -0.19 -5.17 0.05 0.00 0.00 0.00 0.00 36.38 31.07 1t0p s VAL 59 CO 0.53 -2.00 1.36 0.35 0.00 0.00 0.00 175.10 175.34 1t0p n THR 60 N 6.39 0.27 -4.05 3.92 -2.24 -1.26 -4.03 114.28 113.28 1t0p n THR 60 Ca 0.47 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1t0p n THR 60 Cb 0.46 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 1t0p n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1t0p s GLY 61 N -3.50 1.25 0.33 3.38 0.00 -1.26 -4.99 107.32 102.53 1t0p s GLY 61 Ca 0.07 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.14 1t0p s GLY 61 CO 0.71 -0.89 1.44 -1.31 0.00 0.00 0.00 173.10 173.05 1t0p s ASN 62 N -3.19 6.54 -0.19 1.64 0.01 -1.26 -4.66 114.94 113.83 1t0p s ASN 62 Ca 0.28 2.85 -0.14 0.00 -0.71 0.00 0.00 52.86 55.15 1t0p s ASN 62 Cb -0.01 -2.65 0.06 0.00 0.41 0.00 0.00 41.25 39.06 1t0p s ASN 62 CO 0.18 -0.74 0.48 -0.55 -1.51 0.00 0.00 177.10 174.95 1t0p s SER 63 N -0.07 -0.56 -0.09 -1.22 0.15 -0.69 -5.01 113.70 106.22 1t0p s SER 63 Ca 0.54 1.00 -0.11 0.00 0.70 0.00 0.00 55.95 58.08 1t0p s SER 63 Cb -0.44 0.94 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1t0p s SER 63 CO 0.54 -0.19 0.27 -0.60 1.20 0.00 0.00 173.24 174.47 1t0p s ARG 64 N 0.86 3.84 0.15 5.44 3.52 -1.26 -1.04 118.95 130.46 1t0p s ARG 64 Ca -0.05 0.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.76 1t0p s ARG 64 Cb -0.06 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1t0p s ARG 64 CO -0.07 0.59 -0.25 0.96 -0.81 0.00 0.00 175.30 175.73 1t0p s ILE 65 N -0.60 2.17 0.01 4.11 -4.36 -0.43 -4.72 121.20 117.39 1t0p s ILE 65 Ca 0.18 -1.82 0.03 0.00 -0.26 0.00 0.00 60.65 58.79 1t0p s ILE 65 Cb -0.14 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 1t0p s ILE 65 CO 0.07 -0.02 -0.11 -0.76 0.24 0.00 0.00 174.94 174.36 1t0p s LEU 66 N -2.26 2.10 0.13 0.37 1.43 -0.46 -2.00 118.68 117.99 1t0p s LEU 66 Ca 0.15 -0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1t0p s LEU 66 Cb -0.09 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1t0p s LEU 66 CO 0.07 0.05 -0.27 0.00 0.23 0.00 0.00 176.35 176.43 1t0p s SER 68 N -2.08 0.44 -0.12 0.00 1.04 -0.15 -1.03 113.70 111.80 1t0p s SER 68 Ca 0.14 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 1t0p s SER 68 Cb -0.10 0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.36 1t0p s SER 68 CO 0.06 -0.63 0.97 0.54 0.98 0.00 0.00 173.24 175.17 1t0p s VAL 69 N -3.93 0.00 -0.25 5.02 0.11 -0.87 -1.21 120.40 119.29 1t0p s VAL 69 Ca 0.08 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.99 1t0p s VAL 69 Cb 0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1t0p s VAL 69 CO -0.09 0.00 0.35 -0.31 -3.33 0.00 0.00 175.10 171.72 1t0p s TYR 70 N -1.75 3.29 -0.24 1.54 1.51 0.12 -0.73 117.35 121.10 1t0p s TYR 70 Ca 0.01 0.44 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 1t0p s TYR 70 Cb -0.01 -2.52 0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1t0p s TYR 70 CO -0.02 -0.13 -0.11 0.00 -1.11 0.00 0.00 175.55 174.19 1t0p n ASN 72 N 4.58 -6.17 0.00 0.00 2.85 -1.26 -1.64 115.26 113.62 1t0p n ASN 72 Ca -0.17 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 53.76 1t0p n ASN 72 Cb 0.46 -4.87 0.00 0.00 1.24 0.00 0.00 39.78 36.61 1t0p n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t0p n GLY 73 N -1.92 1.77 3.53 8.20 0.00 -1.26 -5.01 105.19 110.49 1t0p n GLY 73 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1t0p n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t0p s SER 74 N -3.39 4.26 -0.06 1.61 0.01 -0.65 -5.04 113.70 110.44 1t0p s SER 74 Ca 0.00 -0.22 -0.27 0.00 1.31 0.00 0.00 55.95 56.77 1t0p s SER 74 Cb 0.00 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 1t0p s SER 74 CO 0.00 0.30 0.85 -1.58 0.41 0.00 0.00 173.24 173.22 1t0p s GLN 75 N -1.21 4.45 0.20 12.44 0.74 -1.26 0.64 119.66 135.66 1t0p s GLN 75 Ca 0.15 1.14 0.11 0.00 0.05 0.00 0.00 55.36 56.81 1t0p s GLN 75 Cb -0.11 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1t0p s GLN 75 CO 0.05 -0.08 -0.23 0.96 -0.55 0.00 0.00 175.29 175.44 1t0p s ILE 76 N 1.22 2.43 0.06 -2.34 -4.36 0.09 -4.94 121.20 113.36 1t0p s ILE 76 Ca 0.44 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1t0p s ILE 76 Cb -0.19 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1t0p s ILE 76 CO 0.21 -0.15 -0.07 0.28 0.24 0.00 0.00 174.94 175.44 1t0p s THR 77 N -1.76 0.61 0.07 8.37 -1.32 -1.26 -2.04 115.64 118.31 1t0p s THR 77 Ca 0.22 -1.41 0.05 0.00 -1.21 0.00 0.00 61.69 59.33 1t0p s THR 77 Cb -0.08 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1t0p s THR 77 CO 0.11 -0.57 -0.13 -0.83 -2.21 0.00 0.00 174.62 170.99 1t0p s GLY 78 N -2.14 0.82 0.19 6.08 0.00 -0.20 -4.58 107.32 107.49 1t0p s GLY 78 Ca -0.01 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1t0p s GLY 78 CO -0.02 -1.04 -0.05 -1.35 0.00 0.00 0.00 173.10 170.64 1t0p s SER 79 N -1.85 1.82 -0.26 1.64 1.04 -1.26 -0.22 113.70 114.61 1t0p s SER 79 Ca -0.02 -1.12 -0.11 0.00 0.48 0.00 0.00 55.95 55.19 1t0p s SER 79 Cb -0.09 -0.00 0.10 0.00 0.10 0.00 0.00 66.02 66.14 1t0p s SER 79 CO 0.02 -0.42 0.59 -0.55 0.98 0.00 0.00 173.24 173.86 1t0p s SER 80 N -3.24 -0.87 -0.40 7.02 0.15 -0.85 -4.74 113.70 110.77 1t0p s SER 80 Ca 0.23 1.39 -0.17 0.00 0.70 0.00 0.00 55.95 58.10 1t0p s SER 80 Cb 0.04 1.78 0.01 0.00 -1.71 0.00 0.00 66.02 66.14 1t0p s SER 80 CO 0.05 -0.22 0.44 0.20 1.20 0.00 0.00 173.24 174.91 1t0p s ASN 81 N 2.44 6.21 -0.15 5.45 0.01 -1.26 -1.31 114.94 126.32 1t0p s ASN 81 Ca -0.06 -0.49 -0.25 0.00 -0.71 0.00 0.00 52.86 51.35 1t0p s ASN 81 Cb -0.10 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 1t0p s ASN 81 CO -0.17 -0.53 0.81 -0.63 -1.51 0.00 0.00 177.10 175.06 1t0p s ILE 82 N 2.19 4.91 -0.13 0.60 1.01 -0.20 -3.52 121.20 126.06 1t0p s ILE 82 Ca 0.13 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1t0p s ILE 82 Cb -0.17 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1t0p s ILE 82 CO 0.14 0.07 -0.14 -0.89 0.00 0.00 0.00 174.94 174.11 1t0p s THR 83 N 1.92 2.96 -0.11 2.92 2.01 -0.38 -1.70 115.64 123.27 1t0p s THR 83 Ca 0.38 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1t0p s THR 83 Cb -0.17 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1t0p s THR 83 CO 0.13 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.70 1t0p s VAL 84 N 0.38 2.45 0.13 3.82 1.01 -1.26 -0.83 120.40 126.10 1t0p s VAL 84 Ca -0.11 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.08 1t0p s VAL 84 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1t0p s VAL 84 CO 0.06 0.55 -0.17 -0.72 0.00 0.00 0.00 175.10 174.81 1t0p s TYR 85 N 0.33 2.54 0.00 5.22 1.13 -0.51 -4.71 117.35 121.35 1t0p s TYR 85 Ca -0.16 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1t0p s TYR 85 Cb -0.17 -1.33 0.00 0.00 -1.10 0.00 0.00 41.96 39.36 1t0p s TYR 85 CO 0.08 0.40 0.07 0.41 -2.51 0.00 0.00 175.55 174.00