#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s s SER 2 N 0.00 -0.41 0.30 1.61 0.01 -1.26 -5.17 113.70 108.79 2e5s s SER 2 Ca 0.00 0.74 0.11 0.00 1.31 0.00 0.00 55.95 58.11 2e5s s SER 2 Cb 0.00 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 66.81 2e5s s SER 2 CO 0.00 -0.17 -0.17 -0.44 0.41 0.00 0.00 173.24 172.87 2e5s s SER 3 N 1.17 3.61 0.03 2.44 0.01 -1.26 -5.15 113.70 114.55 2e5s s SER 3 Ca -0.08 -1.08 -0.24 0.00 1.31 0.00 0.00 55.95 55.86 2e5s s SER 3 Cb -0.08 -0.31 0.06 0.00 0.21 0.00 0.00 66.02 65.89 2e5s s SER 3 CO -0.09 -0.04 0.55 -0.83 0.41 0.00 0.00 173.24 173.23 2e5s s GLY 4 N -3.54 -0.46 -0.57 3.44 0.00 -1.26 -5.05 107.32 99.89 2e5s s GLY 4 Ca 0.31 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2e5s s GLY 4 CO 0.15 0.43 1.72 -1.14 0.00 0.00 0.00 173.10 174.26 2e5s n SER 5 N 0.53 6.64 -4.52 1.64 3.41 -1.26 -4.97 113.62 115.09 2e5s n SER 5 Ca -0.19 -3.78 -0.42 0.00 -0.26 0.00 0.00 58.87 54.22 2e5s n SER 5 Cb 0.60 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 63.70 2e5s n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e5s s SER 6 N -2.37 6.29 -0.77 4.04 0.01 -1.26 -4.98 113.70 114.66 2e5s s SER 6 Ca 0.58 -0.30 -0.26 0.00 1.31 0.00 0.00 55.95 57.28 2e5s s SER 6 Cb 0.46 -2.28 -0.13 0.00 0.21 0.00 0.00 66.02 64.29 2e5s s SER 6 CO -0.07 -0.62 2.39 -0.83 0.41 0.00 0.00 173.24 174.52 2e5s s GLY 7 N 1.86 -0.75 0.26 3.44 0.00 -1.26 -4.79 107.32 106.09 2e5s s GLY 7 Ca 0.19 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 2e5s s GLY 7 CO 0.15 4.19 1.40 1.44 0.00 0.00 0.00 173.10 180.29 2e5s n SER 8 N 18.24 -0.26 0.03 1.64 7.64 -1.26 0.81 113.62 140.47 2e5s n SER 8 Ca 0.46 1.54 -0.03 0.00 1.01 0.00 0.00 58.87 61.84 2e5s n SER 8 Cb 0.44 -0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 2e5s n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e5s h THR 9 N 0.00 0.83 -1.19 0.44 1.03 -2.04 -3.36 112.91 108.61 2e5s h THR 9 Ca 0.47 -2.45 -0.60 0.00 -0.01 0.00 0.00 66.41 63.81 2e5s h THR 9 Cb 0.80 2.32 -0.17 0.00 -1.07 0.00 0.00 68.15 70.03 2e5s h THR 9 CO -0.90 0.47 1.11 0.00 -0.01 0.00 0.00 175.52 176.19 2e5s n ALA 10 N -2.42 6.56 -3.76 0.00 0.00 0.24 -4.83 120.51 116.31 2e5s n ALA 10 Ca -0.09 -3.50 -0.35 0.00 0.00 0.00 0.00 53.44 49.49 2e5s n ALA 10 Cb 0.91 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 2e5s n ALA 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2e5s s THR 11 N -2.11 3.50 -0.27 0.00 2.01 -0.96 -4.42 115.64 113.41 2e5s s THR 11 Ca 0.56 -2.98 0.01 0.00 0.31 0.00 0.00 61.69 59.59 2e5s s THR 11 Cb 0.31 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.57 2e5s s THR 11 CO -0.19 -0.86 -0.08 0.00 -0.69 0.00 0.00 174.62 172.81 2e5s s GLN 12 N -0.05 2.40 -1.18 4.92 0.00 -1.26 -5.04 119.66 119.46 2e5s s GLN 12 Ca 0.17 -1.26 -0.22 0.00 -0.00 0.00 0.00 55.36 54.05 2e5s s GLN 12 Cb -0.21 -2.97 -0.07 0.00 0.00 0.00 0.00 33.01 29.77 2e5s s GLN 12 CO -0.03 -0.55 1.90 0.36 0.00 0.00 0.00 175.29 176.98 2e5s n LYS 13 N 4.52 1.89 -3.74 9.60 2.85 -1.26 -4.79 118.16 127.23 2e5s n LYS 13 Ca -0.14 -2.56 -0.28 0.00 -1.05 0.00 0.00 58.31 54.28 2e5s n LYS 13 Cb 0.43 -3.61 -0.11 0.00 -0.65 0.00 0.00 35.03 31.09 2e5s n LYS 13 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2e5s n LEU 14 N 12.62 2.29 -3.59 -5.58 4.77 -1.26 -5.06 117.00 121.20 2e5s n LEU 14 Ca 0.46 -5.05 -0.08 0.00 -0.03 0.00 0.00 56.01 51.32 2e5s n LEU 14 Cb 0.46 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2e5s n LEU 14 CO 0.73 1.81 0.88 -0.22 -1.33 0.00 0.00 177.39 179.26 2e5s s LEU 15 N -1.23 -0.27 -0.11 2.23 0.20 -1.26 -5.17 118.68 113.07 2e5s s LEU 15 Ca 0.28 0.24 -0.06 0.00 0.69 0.00 0.00 54.13 55.29 2e5s s LEU 15 Cb -0.00 1.64 0.05 0.00 -0.43 0.00 0.00 46.19 47.45 2e5s s LEU 15 CO -0.16 -0.28 0.26 -0.13 -0.29 0.00 0.00 176.35 175.74 2e5s s ARG 16 N -1.40 0.22 0.00 1.98 1.81 -1.26 -5.02 118.95 115.28 2e5s s ARG 16 Ca 0.02 0.55 0.00 0.00 -1.72 0.00 0.00 55.73 54.59 2e5s s ARG 16 Cb -0.01 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.38 2e5s s ARG 16 CO -0.02 -0.17 0.00 -2.37 -0.68 0.00 0.00 175.30 172.06 2e5s n THR 17 N 4.26 0.00 -0.38 0.02 5.66 -1.26 -4.68 114.28 117.89 2e5s n THR 17 Ca -0.25 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.63 2e5s n THR 17 Cb 0.53 0.39 0.05 0.00 -1.55 0.00 0.00 70.33 69.76 2e5s n THR 17 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2e5s n ASP 18 N -1.44 4.80 -4.18 1.09 8.00 -1.26 -4.86 116.55 118.70 2e5s n ASP 18 Ca 0.00 -2.83 -0.11 0.00 0.71 0.00 0.00 54.79 52.56 2e5s n ASP 18 Cb 0.03 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2e5s s LYS 19 N -1.50 0.98 -0.09 -1.24 -2.85 -1.26 0.83 119.74 114.62 2e5s s LYS 19 Ca 0.26 -1.47 -0.04 0.00 -1.00 0.00 0.00 55.97 53.72 2e5s s LYS 19 Cb 0.21 0.03 0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2e5s s LYS 19 CO 0.02 -0.20 0.20 -0.51 0.10 0.00 0.00 175.35 174.96 2e5s s LEU 20 N -3.09 0.45 -0.21 2.77 1.43 0.38 -4.82 118.68 115.59 2e5s s LEU 20 Ca 0.23 0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 2e5s s LEU 20 Cb 0.07 0.54 -0.02 0.00 0.03 0.00 0.00 46.19 46.81 2e5s s LEU 20 CO 0.02 -0.17 1.50 -1.61 0.23 0.00 0.00 176.35 176.32 2e5s s GLU 21 N 1.38 3.92 0.11 1.70 2.02 -1.26 -1.31 118.70 125.27 2e5s s GLU 21 Ca -0.08 1.63 -0.30 0.00 0.02 0.00 0.00 54.97 56.24 2e5s s GLU 21 Cb -0.11 -3.96 -0.07 0.00 0.10 0.00 0.00 34.13 30.09 2e5s s GLU 21 CO -0.07 -1.13 1.21 0.08 0.02 0.00 0.00 175.26 175.37 2e5s s VAL 22 N 4.66 3.83 0.12 2.63 1.01 -1.00 -3.05 120.40 128.59 2e5s s VAL 22 Ca 0.66 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.71 2e5s s VAL 22 Cb -0.24 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 2e5s s VAL 22 CO 0.26 0.15 1.57 0.00 0.00 0.00 0.00 175.10 177.08 2e5s h ARG 24 N 7.43 0.12 0.47 0.00 3.08 -1.97 -3.26 114.38 120.25 2e5s h ARG 24 Ca -0.42 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 2e5s h ARG 24 Cb 1.20 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2e5s h ARG 24 CO 0.91 0.72 -0.22 0.93 -1.07 0.00 0.00 179.97 181.24 2e5s h GLU 25 N 0.08 -0.61 -0.82 0.04 3.07 -1.96 -3.31 114.58 111.08 2e5s h GLU 25 Ca -0.01 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 58.99 2e5s h GLU 25 Cb 1.15 0.14 -0.12 0.00 -0.84 0.00 0.00 28.75 29.09 2e5s h GLU 25 CO 0.09 -0.40 -0.39 0.34 -1.40 0.00 0.00 179.01 177.25 2e5s n PHE 26 N -4.71 -0.15 -0.33 4.33 7.35 -1.25 0.35 117.46 123.05 2e5s n PHE 26 Ca -0.08 1.01 -0.00 0.00 -0.76 0.00 0.00 57.45 57.62 2e5s n PHE 26 Cb 0.25 -0.70 0.05 0.00 0.35 0.00 0.00 39.48 39.43 2e5s n PHE 26 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2e5s n GLN 27 N -5.12 -0.19 0.14 -4.13 6.02 -1.23 0.22 117.38 113.09 2e5s n GLN 27 Ca 0.05 1.35 0.12 0.00 -0.01 0.00 0.00 57.00 58.52 2e5s n GLN 27 Cb 0.27 -2.01 0.25 0.00 1.02 0.00 0.00 30.24 29.77 2e5s n GLN 27 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2e5s h ARG 28 N 0.00 0.00 -1.31 -1.09 0.11 -0.29 -3.48 114.38 108.32 2e5s h ARG 28 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2e5s h ARG 28 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2e5s h ARG 28 CO -0.87 0.00 0.00 0.41 0.10 0.00 0.00 179.97 179.61 2e5s n GLY 29 N 1.23 0.54 0.00 0.08 0.00 0.60 -5.02 105.19 102.62 2e5s n GLY 29 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2e5s n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e5s n ASN 30 N -0.66 4.65 -4.64 1.61 2.85 -1.00 -4.94 115.26 113.13 2e5s n ASN 30 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2e5s n ASN 30 Cb 0.30 0.71 0.02 0.00 1.24 0.00 0.00 39.78 42.06 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e5s n ALA 32 N -0.75 2.04 0.34 0.00 0.00 -1.26 -4.58 120.51 116.30 2e5s n ALA 32 Ca 0.10 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2e5s n ALA 32 Cb 0.41 0.01 0.49 0.00 0.00 0.00 0.00 19.45 20.37 2e5s n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ARG 33 N 0.00 0.00 -2.74 0.00 3.08 -1.91 -3.49 114.38 109.32 2e5s h ARG 33 Ca -0.03 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.35 2e5s h ARG 33 Cb 0.56 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.53 2e5s h ARG 33 CO 0.00 0.00 -0.47 0.41 -1.07 0.00 0.00 179.97 178.84 2e5s n GLY 34 N 0.43 -1.64 0.21 0.04 0.00 -1.26 -0.19 105.19 102.78 2e5s n GLY 34 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2e5s n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2e5s n GLU 35 N -3.68 0.95 -0.02 1.61 2.13 -1.26 -0.16 120.64 120.21 2e5s n GLU 35 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 2e5s n GLU 35 Cb 0.64 -1.20 -0.04 0.00 0.27 0.00 0.00 31.44 31.11 2e5s n GLU 35 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2e5s n THR 36 N -0.29 0.23 -0.09 6.31 -2.24 -1.24 -4.71 114.28 112.26 2e5s n THR 36 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2e5s n THR 36 Cb 0.10 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 2e5s n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2e5s n ASP 37 N -2.01 0.38 -4.87 3.42 2.03 0.74 -5.04 116.55 111.19 2e5s n ASP 37 Ca -0.06 -0.68 -0.35 0.00 0.52 0.00 0.00 54.79 54.22 2e5s n ASP 37 Cb 0.48 0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 41.26 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s n ARG 39 N 0.92 1.93 -4.87 0.00 1.85 -1.26 -4.82 116.66 110.40 2e5s n ARG 39 Ca -0.08 -0.90 -0.31 0.00 -1.00 0.00 0.00 57.85 55.56 2e5s n ARG 39 Cb 0.52 -1.51 -0.14 0.00 -1.05 0.00 0.00 32.46 30.28 2e5s n ARG 39 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2e5s s PHE 40 N -1.60 2.51 -0.91 2.89 0.08 -1.26 -4.87 117.98 114.82 2e5s s PHE 40 Ca 0.16 -0.29 -0.22 0.00 0.12 0.00 0.00 56.93 56.70 2e5s s PHE 40 Cb 0.11 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 41.13 2e5s s PHE 40 CO 0.07 0.17 1.27 0.00 -0.10 0.00 0.00 175.22 176.63 2e5s s ALA 41 N -0.81 2.96 -0.27 5.36 0.00 -1.17 -4.76 121.76 123.06 2e5s s ALA 41 Ca 0.13 -2.23 -0.29 0.00 0.00 0.00 0.00 51.96 49.57 2e5s s ALA 41 Cb -0.10 -4.27 -0.02 0.00 0.00 0.00 0.00 23.12 18.72 2e5s s ALA 41 CO 0.03 -3.28 1.76 -1.01 0.00 0.00 0.00 175.76 173.25 2e5s s HIS 42 N 4.31 1.86 1.00 0.00 3.76 -1.26 -4.46 115.29 120.51 2e5s s HIS 42 Ca 0.38 0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 55.71 2e5s s HIS 42 Cb -0.05 -4.08 0.19 0.00 1.11 0.00 0.00 32.58 29.76 2e5s s HIS 42 CO -0.04 -3.10 1.09 -1.25 -0.85 0.00 0.00 174.74 170.59 2e5s s PRO 43 N 5.30 0.38 -0.02 8.40 0.04 -1.26 -4.94 135.00 142.89 2e5s s PRO 43 Ca 0.78 0.51 0.11 0.00 0.04 0.00 0.00 61.00 62.44 2e5s s PRO 43 Cb -0.25 -1.73 0.36 0.00 0.04 0.00 0.00 34.50 32.92 2e5s s PRO 43 CO 0.33 -2.76 1.26 0.00 0.04 0.00 0.00 177.00 175.86 2e5s n ALA 44 N -4.20 2.58 -3.60 8.56 0.00 -1.26 -4.90 120.51 117.69 2e5s n ALA 44 Ca 0.05 -0.73 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 2e5s n ALA 44 Cb 0.57 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 19.11 2e5s n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2e5s n ASP 45 N 0.57 -5.46 -3.65 0.00 8.00 -1.26 -4.95 116.55 109.80 2e5s n ASP 45 Ca 0.13 -0.58 -0.29 0.00 0.71 0.00 0.00 54.79 54.76 2e5s n ASP 45 Cb 0.40 -4.94 -0.08 0.00 -0.02 0.00 0.00 41.12 36.48 2e5s n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2e5s n SER 46 N -3.02 3.80 -3.34 -2.24 3.41 -1.26 -4.90 113.62 106.07 2e5s n SER 46 Ca -0.04 -3.36 -0.12 0.00 -0.26 0.00 0.00 58.87 55.10 2e5s n SER 46 Cb 0.58 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 2e5s n SER 46 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2e5s n THR 47 N 1.30 -0.48 -2.60 6.66 5.66 -1.26 -4.75 114.28 118.82 2e5s n THR 47 Ca 0.26 -0.17 -0.07 0.00 -3.05 0.00 0.00 64.05 61.03 2e5s n THR 47 Cb 0.38 -0.44 0.04 0.00 -1.55 0.00 0.00 70.33 68.76 2e5s n THR 47 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2e5s n MET 48 N -2.16 2.27 -4.43 1.09 0.00 -1.26 -5.06 117.12 107.56 2e5s n MET 48 Ca -0.08 -3.69 -0.21 0.00 0.00 0.00 0.00 57.70 53.71 2e5s n MET 48 Cb 0.20 -1.80 -0.16 0.00 0.00 0.00 0.00 33.22 31.47 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2e5s s ILE 49 N -4.02 0.86 -0.47 3.17 1.01 -1.26 -4.80 121.20 115.68 2e5s s ILE 49 Ca 0.34 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2e5s s ILE 49 Cb 0.35 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 42.07 2e5s s ILE 49 CO -0.02 0.27 1.20 -1.81 0.00 0.00 0.00 174.94 174.59 2e5s s ASP 50 N 0.31 6.55 0.00 3.58 1.01 -1.16 -4.86 116.67 122.10 2e5s s ASP 50 Ca -0.06 0.51 0.15 0.00 0.71 0.00 0.00 52.55 53.86 2e5s s ASP 50 Cb -0.10 -2.55 0.86 0.00 1.01 0.00 0.00 42.92 42.13 2e5s s ASP 50 CO 0.01 -1.32 1.32 0.35 0.21 0.00 0.00 175.17 175.75 2e5s n THR 51 N 6.89 0.12 -0.08 -1.27 -2.24 -1.26 0.12 114.28 116.57 2e5s n THR 51 Ca 0.13 0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.82 2e5s n THR 51 Cb 0.49 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 2e5s n THR 51 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2e5s h SER 52 N 0.00 0.00 -0.03 3.42 0.87 -1.96 -3.41 113.55 112.45 2e5s h SER 52 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2e5s h SER 52 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2e5s h SER 52 CO 0.00 1.04 0.00 0.47 -0.53 0.00 0.00 176.83 177.81 2e5s n ASP 53 N -4.56 2.41 -4.38 6.23 9.92 -1.17 -4.98 116.55 120.01 2e5s n ASP 53 Ca -0.16 -2.83 -0.38 0.00 -0.53 0.00 0.00 54.79 50.88 2e5s n ASP 53 Cb 0.42 -0.35 -0.08 0.00 -0.64 0.00 0.00 41.12 40.47 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2e5s n ASN 54 N -1.13 -0.95 -4.18 -2.24 5.15 0.32 -4.88 115.26 107.35 2e5s n ASN 54 Ca 0.13 -1.21 -0.19 0.00 -0.60 0.00 0.00 54.58 52.71 2e5s n ASN 54 Cb 0.57 -1.54 -0.12 0.00 -0.53 0.00 0.00 39.78 38.17 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2e5s s THR 55 N -3.52 1.17 0.14 -0.44 -4.23 -1.23 -2.38 115.64 105.16 2e5s s THR 55 Ca 0.56 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 2e5s s THR 55 Cb -0.33 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2e5s s THR 55 CO 0.98 -0.23 -0.01 0.68 -0.54 0.00 0.00 174.62 175.51 2e5s s VAL 56 N -1.33 3.79 0.62 2.29 -7.23 -0.42 -2.98 120.40 115.13 2e5s s VAL 56 Ca -0.01 -1.28 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 2e5s s VAL 56 Cb -0.10 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 2e5s s VAL 56 CO 0.02 -0.02 1.05 -0.89 -0.31 0.00 0.00 175.10 174.95 2e5s s THR 57 N -1.56 4.07 -0.13 5.32 2.01 -1.26 -0.47 115.64 123.61 2e5s s THR 57 Ca 0.26 0.85 0.01 0.00 0.31 0.00 0.00 61.69 63.12 2e5s s THR 57 Cb -0.10 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2e5s s THR 57 CO 0.18 -0.71 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.56 2e5s s VAL 58 N -2.74 2.79 -0.07 3.82 1.01 0.24 -3.38 120.40 122.07 2e5s s VAL 58 Ca 0.60 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2e5s s VAL 58 Cb -0.14 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2e5s s VAL 58 CO 0.44 0.53 1.55 0.00 0.00 0.00 0.00 175.10 177.61 2e5s h MET 60 N 9.05 0.05 0.06 0.00 4.05 -1.96 -3.12 114.93 123.06 2e5s h MET 60 Ca -0.36 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.04 2e5s h MET 60 Cb 1.16 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.91 2e5s h MET 60 CO 0.95 0.60 -0.53 0.22 0.23 0.00 0.00 176.91 178.38 2e5s h ASP 61 N -0.49 -1.63 -0.77 1.39 3.58 -1.91 -2.09 116.42 114.51 2e5s h ASP 61 Ca 0.00 0.18 0.15 0.00 0.42 0.00 0.00 57.03 57.78 2e5s h ASP 61 Cb 0.59 0.61 -0.14 0.00 1.72 0.00 0.00 39.33 42.11 2e5s h ASP 61 CO 0.01 -0.54 -0.23 0.22 -2.88 0.00 0.00 179.24 175.82 2e5s h TYR 62 N -0.71 -0.53 -0.85 0.28 3.20 -1.74 0.28 116.97 116.88 2e5s h TYR 62 Ca 0.00 0.07 0.22 0.00 3.14 0.00 0.00 58.73 62.17 2e5s h TYR 62 Cb 0.74 0.35 -0.13 0.00 1.54 0.00 0.00 36.73 39.23 2e5s h TYR 62 CO -0.49 -0.35 0.24 0.82 -1.64 0.00 0.00 178.16 176.75 2e5s h ILE 63 N -0.03 0.37 0.00 1.81 1.08 -1.31 0.98 117.51 120.42 2e5s h ILE 63 Ca 0.35 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 2e5s h ILE 63 Cb 0.57 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2e5s h ILE 63 CO -0.80 0.04 -0.06 0.11 -0.69 0.00 0.00 178.15 176.75 2e5s h LYS 64 N 0.24 0.00 0.00 2.37 1.57 -0.20 -3.46 116.57 117.10 2e5s h LYS 64 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2e5s h LYS 64 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2e5s h LYS 64 CO -0.61 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 178.74 2e5s n GLY 65 N -1.14 1.85 2.80 3.86 0.00 0.34 -5.06 105.19 107.84 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2e5s n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e5s s ARG 66 N -0.16 0.90 -0.28 1.61 0.52 -1.23 -4.96 118.95 115.34 2e5s s ARG 66 Ca 0.00 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 54.00 2e5s s ARG 66 Cb 0.00 -2.25 0.03 0.00 0.52 0.00 0.00 34.95 33.25 2e5s s ARG 66 CO 0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 175.30 174.37 2e5s n MET 68 N 4.69 0.41 -1.68 0.00 2.81 -1.26 -4.93 117.12 117.16 2e5s n MET 68 Ca -0.15 -1.55 -0.42 0.00 -1.81 0.00 0.00 57.70 53.77 2e5s n MET 68 Cb 0.46 -0.80 -0.03 0.00 -0.71 0.00 0.00 33.22 32.14 2e5s n MET 68 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2e5s s ARG 69 N -0.92 4.07 -0.50 0.03 0.52 -1.26 -4.80 118.95 116.09 2e5s s ARG 69 Ca 0.12 2.56 -0.45 0.00 -0.52 0.00 0.00 55.73 57.44 2e5s s ARG 69 Cb 0.11 -4.17 -0.19 0.00 0.52 0.00 0.00 34.95 31.21 2e5s s ARG 69 CO 0.00 -1.03 1.96 -1.91 0.02 0.00 0.00 175.30 174.34 2e5s n GLU 70 N 7.62 0.02 -3.53 3.54 0.00 -1.26 0.29 120.64 127.32 2e5s n GLU 70 Ca 0.20 0.01 -0.19 0.00 0.00 0.00 0.00 57.16 57.18 2e5s n GLU 70 Cb 0.41 -1.51 0.06 0.00 0.00 0.00 0.00 31.44 30.40 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2e5s n LYS 71 N 6.32 -4.89 -0.88 5.31 4.76 -1.26 -4.67 118.16 122.86 2e5s n LYS 71 Ca 0.47 0.73 -0.35 0.00 -2.87 0.00 0.00 58.31 56.29 2e5s n LYS 71 Cb -0.04 -5.47 -0.09 0.00 -1.84 0.00 0.00 35.03 27.59 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e5s n LYS 73 N 5.15 2.01 -4.47 0.00 4.81 -1.26 -4.89 118.16 119.50 2e5s n LYS 73 Ca 0.39 -2.34 -0.22 0.00 -0.87 0.00 0.00 58.31 55.27 2e5s n LYS 73 Cb -0.01 -1.92 -0.14 0.00 0.02 0.00 0.00 35.03 32.99 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2e5s s TYR 74 N -2.59 1.40 0.68 5.64 1.51 -1.26 -5.00 117.35 117.73 2e5s s TYR 74 Ca 0.45 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 56.02 2e5s s TYR 74 Cb 0.37 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 2e5s s TYR 74 CO 0.07 0.05 1.10 0.12 -1.11 0.00 0.00 175.55 175.77 2e5s s PHE 75 N -0.78 2.66 -0.30 2.71 5.36 -1.22 -4.71 117.98 121.70 2e5s s PHE 75 Ca 0.04 1.54 0.03 0.00 -0.96 0.00 0.00 56.93 57.58 2e5s s PHE 75 Cb -0.08 -3.12 0.08 0.00 -0.34 0.00 0.00 43.02 39.56 2e5s s PHE 75 CO 0.01 -1.65 -0.01 -1.01 -1.46 0.00 0.00 175.22 171.10 2e5s s HIS 76 N -2.48 3.24 1.00 10.12 3.76 -1.26 -3.03 115.29 126.63 2e5s s HIS 76 Ca 0.65 -2.51 -0.12 0.00 -0.15 0.00 0.00 55.06 52.93 2e5s s HIS 76 Cb -0.19 -2.32 0.19 0.00 1.11 0.00 0.00 32.58 31.36 2e5s s HIS 76 CO 0.44 -0.90 1.09 -1.25 -0.85 0.00 0.00 174.74 173.28 2e5s s PRO 77 N 1.10 0.40 1.12 8.40 0.04 -1.26 -5.05 135.00 139.74 2e5s s PRO 77 Ca 0.02 0.52 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 2e5s s PRO 77 Cb -0.19 -1.73 0.28 0.00 0.04 0.00 0.00 34.50 32.89 2e5s s PRO 77 CO -0.08 -2.75 0.99 -0.35 0.04 0.00 0.00 177.00 174.85 2e5s n PRO 78 N -4.19 -2.97 0.17 0.56 -0.04 -1.26 -4.65 135.00 122.62 2e5s n PRO 78 Ca 0.05 -1.59 -0.13 0.00 -0.04 0.00 0.00 63.50 61.79 2e5s n PRO 78 Cb 0.57 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 2e5s n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s h ALA 79 N -2.68 -0.44 -0.84 0.55 0.00 -1.96 0.26 119.26 114.14 2e5s h ALA 79 Ca -0.37 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.54 2e5s h ALA 79 Cb 1.14 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 2e5s h ALA 79 CO 0.24 -0.58 0.35 1.12 0.00 0.00 0.00 179.25 180.38 2e5s h HIS 80 N -0.77 0.58 0.10 0.00 -0.00 -1.98 -2.21 115.15 110.86 2e5s h HIS 80 Ca -0.05 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2e5s h HIS 80 Cb 0.51 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 2e5s h HIS 80 CO 0.02 -0.01 -0.05 -0.07 -0.00 0.00 0.00 177.93 177.83 2e5s h LEU 81 N 0.42 -0.11 -1.23 6.12 3.38 -1.91 -3.23 115.31 118.74 2e5s h LEU 81 Ca 0.50 -0.48 0.40 0.00 0.09 0.00 0.00 57.88 58.40 2e5s h LEU 81 Cb 0.88 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 2e5s h LEU 81 CO -0.49 0.51 0.82 0.00 0.09 0.00 0.00 178.44 179.37 2e5s n GLN 82 N -4.85 -0.02 0.11 1.13 6.02 0.90 0.94 117.38 121.61 2e5s n GLN 82 Ca -0.08 0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 57.76 2e5s n GLN 82 Cb 0.29 -1.97 -0.07 0.00 1.02 0.00 0.00 30.24 29.51 2e5s n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s h ALA 83 N 1.13 -0.33 -0.78 -1.58 0.00 -1.50 -2.64 119.26 113.56 2e5s h ALA 83 Ca 0.71 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.75 2e5s h ALA 83 Cb 2.47 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 20.24 2e5s h ALA 83 CO -0.27 -0.40 0.41 1.63 0.00 0.00 0.00 179.25 180.62 2e5s n LYS 84 N -5.01 -0.05 -0.05 0.00 4.01 0.27 0.84 118.16 118.16 2e5s n LYS 84 Ca -0.08 1.07 -0.13 0.00 -0.51 0.00 0.00 58.31 58.66 2e5s n LYS 84 Cb 0.26 -1.92 -0.12 0.00 -0.51 0.00 0.00 35.03 32.73 2e5s n LYS 84 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2e5s h ILE 85 N 0.00 1.66 -0.88 -0.18 5.03 -1.55 -3.33 117.51 118.26 2e5s h ILE 85 Ca 0.65 -2.04 0.21 0.00 -0.12 0.00 0.00 64.86 63.56 2e5s h ILE 85 Cb 1.73 3.02 -0.16 0.00 -3.03 0.00 0.00 36.82 38.38 2e5s h ILE 85 CO -0.60 0.52 -0.06 0.11 -0.68 0.00 0.00 178.15 177.44 2e5s h LYS 86 N -0.89 0.04 -0.88 2.37 1.57 0.82 0.94 116.57 120.55 2e5s h LYS 86 Ca -0.00 -0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2e5s h LYS 86 Cb 0.86 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.99 2e5s h LYS 86 CO 0.00 0.03 -0.22 0.00 -0.57 0.00 0.00 179.45 178.69 2e5s n ALA 87 N -3.18 0.21 0.17 3.86 0.00 -0.56 0.14 120.51 121.15 2e5s n ALA 87 Ca 0.17 0.97 -0.14 0.00 0.00 0.00 0.00 53.44 54.43 2e5s n ALA 87 Cb 0.56 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 2e5s n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ALA 88 N 1.76 -0.52 -0.58 0.00 0.00 -0.99 -2.83 119.26 116.10 2e5s h ALA 88 Ca 0.42 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.37 2e5s h ALA 88 Cb 0.64 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2e5s h ALA 88 CO -0.90 -0.82 -0.20 1.96 0.00 0.00 0.00 179.25 179.29 2e5s h GLN 89 N -0.53 -0.05 -7.08 0.00 7.50 -0.31 -3.41 115.11 111.22 2e5s h GLN 89 Ca -0.01 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.60 2e5s h GLN 89 Cb 0.49 0.01 0.13 0.00 0.05 0.00 0.00 27.48 28.17 2e5s h GLN 89 CO -0.06 -0.04 0.53 -1.01 -1.50 0.00 0.00 178.83 176.76 2e5s s HIS 90 N -6.18 2.29 -0.19 2.96 3.76 -0.62 -4.88 115.29 112.43 2e5s s HIS 90 Ca -0.14 1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 56.21 2e5s s HIS 90 Cb 0.18 -3.65 0.09 0.00 1.11 0.00 0.00 32.58 30.31 2e5s s HIS 90 CO 0.72 -2.63 2.17 1.04 -0.85 0.00 0.00 174.74 175.19 2e5s n GLN 91 N -1.42 1.56 -4.37 1.40 1.13 -1.26 -4.87 117.38 109.55 2e5s n GLN 91 Ca 0.13 -1.01 -0.24 0.00 -1.94 0.00 0.00 57.00 53.94 2e5s n GLN 91 Cb 0.47 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.29 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2e5s s ALA 92 N -0.97 3.01 -0.81 -1.58 0.00 -1.26 -5.09 121.76 115.07 2e5s s ALA 92 Ca 0.24 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 2e5s s ALA 92 Cb 0.17 -0.53 0.20 0.00 0.00 0.00 0.00 23.12 22.96 2e5s s ALA 92 CO -0.02 0.25 0.68 1.21 0.00 0.00 0.00 175.76 177.88 2e5s s ASN 93 N -3.62 5.87 -0.11 0.00 3.84 -1.26 -4.82 114.94 114.84 2e5s s ASN 93 Ca 0.31 -3.33 -0.09 0.00 0.21 0.00 0.00 52.86 49.97 2e5s s ASN 93 Cb -0.05 -1.93 -0.05 0.00 -0.55 0.00 0.00 41.25 38.66 2e5s s ASN 93 CO 0.18 -0.29 -0.20 0.00 -2.79 0.00 0.00 177.10 174.00 2e5s n GLN 94 N 2.89 0.32 -3.86 0.43 1.13 -1.26 -4.90 117.38 112.13 2e5s n GLN 94 Ca 0.16 0.13 -0.29 0.00 -1.94 0.00 0.00 57.00 55.06 2e5s n GLN 94 Cb 0.38 -1.05 -0.13 0.00 0.11 0.00 0.00 30.24 29.55 2e5s n GLN 94 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2e5s s ALA 95 N -2.40 3.12 -0.16 -1.58 0.00 -1.26 -4.88 121.76 114.61 2e5s s ALA 95 Ca -0.20 -3.25 0.18 0.00 0.00 0.00 0.00 51.96 48.70 2e5s s ALA 95 Cb 0.06 -2.08 -0.26 0.00 0.00 0.00 0.00 23.12 20.84 2e5s s ALA 95 CO 0.26 -2.05 0.22 0.00 0.00 0.00 0.00 175.76 174.20 2e5s n ALA 96 N 2.89 1.76 0.33 0.00 0.00 -1.26 -4.26 120.51 119.97 2e5s n ALA 96 Ca 0.11 -1.11 0.12 0.00 0.00 0.00 0.00 53.44 52.55 2e5s n ALA 96 Cb 0.34 -0.37 0.63 0.00 0.00 0.00 0.00 19.45 20.06 2e5s n ALA 96 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2e5s h VAL 97 N 0.00 0.00 -0.02 0.00 -1.51 -2.02 -3.55 116.25 109.15 2e5s h VAL 97 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2e5s h VAL 97 Cb 1.98 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2e5s h VAL 97 CO 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.37