#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 0.21 -0.01 1.61 1.04 -1.26 -5.15 113.70 110.15 2e5s s SER 2 Ca 0.00 0.65 -0.30 0.00 0.48 0.00 0.00 55.95 56.78 2e5s s SER 2 Cb 0.00 0.92 0.11 0.00 0.10 0.00 0.00 66.02 67.15 2e5s s SER 2 CO 0.00 -0.25 1.18 -0.55 0.98 0.00 0.00 173.24 174.60 2e5s s SER 3 N 2.48 -0.11 0.00 7.02 0.15 -1.26 -5.15 113.70 116.83 2e5s s SER 3 Ca 0.01 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2e5s s SER 3 Cb -0.12 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2e5s s SER 3 CO -0.11 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2e5s n GLY 4 N -0.41 -0.18 3.28 9.45 0.00 -1.26 -5.16 105.19 110.92 2e5s n GLY 4 Ca -0.07 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5s s SER 5 N 0.00 3.38 0.65 1.61 0.01 -1.26 -5.13 113.70 112.96 2e5s s SER 5 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2e5s s SER 5 Cb 0.00 -1.34 0.09 0.00 0.21 0.00 0.00 66.02 64.98 2e5s s SER 5 CO 0.00 0.19 0.91 -0.44 0.41 0.00 0.00 173.24 174.30 2e5s s SER 6 N 0.20 4.72 0.00 2.44 0.01 -1.26 -5.10 113.70 114.71 2e5s s SER 6 Ca -0.13 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2e5s s SER 6 Cb -0.16 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.73 2e5s s SER 6 CO 0.07 -1.58 0.00 0.61 0.41 0.00 0.00 173.24 172.75 2e5s n GLY 7 N -2.64 4.37 3.92 3.44 0.00 -1.26 -5.15 105.19 107.86 2e5s n GLY 7 Ca 0.12 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2e5s n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5s s SER 8 N 1.04 6.33 0.03 1.61 0.01 -1.26 -5.11 113.70 116.35 2e5s s SER 8 Ca 0.00 0.65 -0.21 0.00 1.31 0.00 0.00 55.95 57.70 2e5s s SER 8 Cb 0.00 -2.12 0.05 0.00 0.21 0.00 0.00 66.02 64.16 2e5s s SER 8 CO 0.00 -0.34 0.49 0.28 0.41 0.00 0.00 173.24 174.08 2e5s s THR 9 N -2.35 0.04 -0.29 1.44 -1.32 -1.26 -5.17 115.64 106.72 2e5s s THR 9 Ca 0.43 -0.30 -0.25 0.00 -1.21 0.00 0.00 61.69 60.37 2e5s s THR 9 Cb -0.10 -0.93 0.14 0.00 -1.51 0.00 0.00 72.50 70.10 2e5s s THR 9 CO 0.36 -0.16 1.15 0.00 -2.21 0.00 0.00 174.62 173.76 2e5s s ALA 10 N -2.15 -2.06 -0.16 11.08 0.00 -1.26 -5.16 121.76 122.06 2e5s s ALA 10 Ca -0.07 1.83 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2e5s s ALA 10 Cb -0.01 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.63 2e5s s ALA 10 CO 0.00 -0.20 0.31 0.99 0.00 0.00 0.00 175.76 176.87 2e5s s THR 11 N 0.22 -0.49 0.08 0.00 2.01 -1.26 -5.15 115.64 111.05 2e5s s THR 11 Ca 0.04 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2e5s s THR 11 Cb -0.05 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.87 2e5s s THR 11 CO -0.09 0.09 0.44 -1.10 -0.69 0.00 0.00 174.62 173.26 2e5s s GLN 12 N 2.48 3.84 -0.03 4.92 -0.21 -1.26 -4.97 119.66 124.43 2e5s s GLN 12 Ca 0.01 0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.66 2e5s s GLN 12 Cb -0.12 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 2e5s s GLN 12 CO -0.10 0.56 2.39 1.63 -2.12 0.00 0.00 175.29 177.65 2e5s n LYS 13 N 1.02 1.32 -3.68 2.91 5.02 -1.26 -4.67 118.16 118.81 2e5s n LYS 13 Ca -0.08 -0.39 -0.28 0.00 -2.02 0.00 0.00 58.31 55.53 2e5s n LYS 13 Cb 0.52 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.08 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2e5s s LEU 14 N -0.18 1.23 0.32 -0.35 1.43 -1.26 -5.12 118.68 114.74 2e5s s LEU 14 Ca 0.19 -1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 52.09 2e5s s LEU 14 Cb 0.10 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.76 2e5s s LEU 14 CO -0.01 -0.37 0.54 -0.76 0.23 0.00 0.00 176.35 175.99 2e5s s LEU 15 N 1.88 0.55 -0.13 1.79 1.02 -1.26 -5.16 118.68 117.36 2e5s s LEU 15 Ca 0.04 -1.21 -0.04 0.00 0.02 0.00 0.00 54.13 52.94 2e5s s LEU 15 Cb -0.17 1.86 0.07 0.00 0.02 0.00 0.00 46.19 47.97 2e5s s LEU 15 CO -0.19 -1.32 0.25 -0.13 0.02 0.00 0.00 176.35 174.98 2e5s s ARG 16 N -3.26 0.14 -0.02 1.70 3.00 -1.26 -5.01 118.95 114.24 2e5s s ARG 16 Ca 0.24 0.68 0.13 0.00 0.00 0.00 0.00 55.73 56.78 2e5s s ARG 16 Cb -0.02 -0.17 -0.20 0.00 0.00 0.00 0.00 34.95 34.56 2e5s s ARG 16 CO 0.14 -0.33 0.29 -2.37 0.00 0.00 0.00 175.30 173.04 2e5s n THR 17 N 5.35 0.00 -1.35 0.02 5.66 -1.26 -4.56 114.28 118.13 2e5s n THR 17 Ca -0.06 -0.29 -0.28 0.00 -3.05 0.00 0.00 64.05 60.38 2e5s n THR 17 Cb 0.50 0.25 0.01 0.00 -1.55 0.00 0.00 70.33 69.54 2e5s n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2e5s n ASP 18 N -1.91 6.88 -3.86 1.09 5.68 -1.26 -4.85 116.55 118.32 2e5s n ASP 18 Ca -0.02 -3.38 -0.26 0.00 -0.50 0.00 0.00 54.79 50.63 2e5s n ASP 18 Cb 0.33 -1.11 -0.17 0.00 -1.14 0.00 0.00 41.12 39.03 2e5s n ASP 18 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2e5s s LYS 19 N -2.53 1.22 -0.16 0.11 1.02 -1.26 0.50 119.74 118.64 2e5s s LYS 19 Ca 0.51 -0.23 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 2e5s s LYS 19 Cb 0.38 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.09 2e5s s LYS 19 CO -0.15 -0.33 0.11 -0.51 -0.92 0.00 0.00 175.35 173.54 2e5s s LEU 20 N 1.77 4.13 -0.46 3.17 1.43 0.26 -4.93 118.68 124.06 2e5s s LEU 20 Ca 0.04 0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 2e5s s LEU 20 Cb -0.13 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.08 2e5s s LEU 20 CO -0.07 0.27 1.03 -1.61 0.23 0.00 0.00 176.35 176.20 2e5s s GLU 21 N -0.20 3.67 0.16 1.70 2.02 -1.26 -1.26 118.70 123.52 2e5s s GLU 21 Ca 0.10 0.42 -0.31 0.00 0.02 0.00 0.00 54.97 55.20 2e5s s GLU 21 Cb -0.12 -3.90 -0.09 0.00 0.10 0.00 0.00 34.13 30.13 2e5s s GLU 21 CO 0.01 -1.27 1.42 0.08 0.02 0.00 0.00 175.26 175.52 2e5s s VAL 22 N 4.07 3.07 0.51 2.63 1.01 -1.19 -2.74 120.40 127.76 2e5s s VAL 22 Ca 0.43 0.80 -0.22 0.00 0.00 0.00 0.00 61.98 62.99 2e5s s VAL 22 Cb -0.09 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 2e5s s VAL 22 CO 0.28 0.08 1.29 0.00 0.00 0.00 0.00 175.10 176.75 2e5s n ARG 24 N -0.80 0.65 0.16 0.00 1.74 -1.26 -3.99 116.66 113.15 2e5s n ARG 24 Ca 0.09 0.27 -0.10 0.00 -0.77 0.00 0.00 57.85 57.35 2e5s n ARG 24 Cb 0.46 -1.77 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2e5s h GLU 25 N 0.01 -0.46 -0.94 5.56 3.07 -1.96 -3.27 114.58 116.58 2e5s h GLU 25 Ca -0.32 0.03 0.29 0.00 -0.50 0.00 0.00 59.36 58.86 2e5s h GLU 25 Cb 2.03 0.10 -0.15 0.00 -0.84 0.00 0.00 28.75 29.90 2e5s h GLU 25 CO 0.08 -0.21 0.35 0.35 -1.40 0.00 0.00 179.01 178.18 2e5s h PHE 26 N -1.06 0.55 -0.50 4.33 3.04 -1.86 0.23 116.94 121.67 2e5s h PHE 26 Ca -0.05 0.05 0.10 0.00 3.98 0.00 0.00 57.97 62.05 2e5s h PHE 26 Cb 0.47 -0.09 -0.10 0.00 2.56 0.00 0.00 35.95 38.79 2e5s h PHE 26 CO 0.02 -0.25 -0.14 1.96 -2.02 0.00 0.00 178.31 177.89 2e5s h GLN 27 N 0.21 -0.01 -0.59 1.11 4.20 -1.69 0.35 115.11 118.68 2e5s h GLN 27 Ca 0.65 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.36 2e5s h GLN 27 Cb 1.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2e5s h GLN 27 CO -0.68 -0.01 0.00 2.89 -0.67 0.00 0.00 178.83 180.36 2e5s n ARG 28 N -5.37 2.50 -3.35 1.46 1.85 0.67 -4.91 116.66 109.51 2e5s n ARG 28 Ca 0.05 -1.53 -0.16 0.00 -1.00 0.00 0.00 57.85 55.20 2e5s n ARG 28 Cb 0.27 -1.62 0.08 0.00 -1.05 0.00 0.00 32.46 30.15 2e5s n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2e5s n GLY 29 N 0.71 -0.78 0.00 2.89 0.00 0.12 -4.94 105.19 103.20 2e5s n GLY 29 Ca 0.14 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.17 3.36 -4.67 1.61 5.15 -0.56 -4.96 115.26 112.01 2e5s n ASN 30 Ca -0.18 0.00 -0.49 0.00 -0.60 0.00 0.00 54.58 53.32 2e5s n ASN 30 Cb 0.64 0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 40.00 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5s n ALA 32 N 5.15 2.11 0.25 0.00 0.00 -1.26 -4.19 120.51 122.57 2e5s n ALA 32 Ca 0.21 -0.82 0.11 0.00 0.00 0.00 0.00 53.44 52.93 2e5s n ALA 32 Cb 0.27 -0.60 0.65 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.81 0.00 3.08 -1.89 -3.48 114.38 109.28 2e5s h ARG 33 Ca -0.24 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.10 2e5s h ARG 33 Cb 1.60 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.52 2e5s h ARG 33 CO 0.02 0.16 -0.87 0.41 -1.07 0.00 0.00 179.97 178.62 2e5s n GLY 34 N -0.66 -2.82 0.20 0.04 0.00 -1.26 0.28 105.19 100.96 2e5s n GLY 34 Ca -0.02 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.95 2e5s n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2e5s h GLU 35 N -1.15 0.00 0.00 1.61 4.57 -1.86 0.60 114.58 118.35 2e5s h GLU 35 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2e5s h GLU 35 Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2e5s h GLU 35 CO 0.05 0.00 -0.14 1.79 -1.18 0.00 0.00 179.01 179.53 2e5s h THR 36 N 0.00 0.00 0.00 0.32 1.35 -1.94 -3.37 112.91 109.28 2e5s h THR 36 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2e5s h THR 36 Cb 0.45 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 2e5s h THR 36 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 2e5s n ASP 37 N -3.26 0.00 -4.42 5.36 2.03 0.14 -4.68 116.55 111.72 2e5s n ASP 37 Ca -0.02 -0.67 -0.33 0.00 0.52 0.00 0.00 54.79 54.30 2e5s n ASP 37 Cb 0.07 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.32 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s h ARG 39 N 5.72 0.02 -6.69 0.00 3.08 -1.84 -3.43 114.38 111.24 2e5s h ARG 39 Ca -0.40 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.10 2e5s h ARG 39 Cb 1.17 0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.25 2e5s h ARG 39 CO 0.51 0.96 0.57 -0.06 -1.07 0.00 0.00 179.97 180.88 2e5s s PHE 40 N -2.82 3.39 0.29 3.04 0.40 -1.26 -4.96 117.98 116.06 2e5s s PHE 40 Ca 0.00 1.42 -0.29 0.00 -0.60 0.00 0.00 56.93 57.46 2e5s s PHE 40 Cb 0.10 -3.46 -0.10 0.00 0.51 0.00 0.00 43.02 40.07 2e5s s PHE 40 CO 0.82 -1.28 1.37 0.00 0.70 0.00 0.00 175.22 176.83 2e5s s ALA 41 N -0.19 3.56 -0.44 5.36 0.00 -1.11 -4.63 121.76 124.32 2e5s s ALA 41 Ca 0.52 1.30 -0.06 0.00 0.00 0.00 0.00 51.96 53.73 2e5s s ALA 41 Cb -0.34 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.38 2e5s s ALA 41 CO 0.38 -0.71 0.27 -1.01 0.00 0.00 0.00 175.76 174.69 2e5s s HIS 42 N -0.60 3.51 -0.86 0.00 3.76 -1.26 -2.12 115.29 117.73 2e5s s HIS 42 Ca 0.54 -2.17 -0.25 0.00 -0.15 0.00 0.00 55.06 53.03 2e5s s HIS 42 Cb -0.41 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 29.89 2e5s s HIS 42 CO 0.49 -0.98 1.94 -1.25 -0.85 0.00 0.00 174.74 174.09 2e5s s PRO 43 N 1.24 2.56 -0.20 8.40 0.04 -1.26 -4.68 135.00 141.09 2e5s s PRO 43 Ca 0.07 -0.15 -0.01 0.00 0.04 0.00 0.00 61.00 60.95 2e5s s PRO 43 Cb -0.24 -4.96 -0.12 0.00 0.04 0.00 0.00 34.50 29.21 2e5s s PRO 43 CO -0.03 -3.30 -0.20 0.00 0.04 0.00 0.00 177.00 173.52 2e5s n ALA 44 N 13.85 1.57 -2.10 8.56 0.00 -1.26 -4.66 120.51 136.48 2e5s n ALA 44 Ca 0.37 -0.86 -0.25 0.00 0.00 0.00 0.00 53.44 52.70 2e5s n ALA 44 Cb 0.48 0.07 0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.26 4.99 -3.67 0.00 8.00 -1.26 -4.99 116.55 116.35 2e5s n ASP 45 Ca -0.37 -3.75 -0.10 0.00 0.71 0.00 0.00 54.79 51.28 2e5s n ASP 45 Cb 0.86 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 2e5s n ASP 45 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2e5s s SER 46 N -3.51 -0.70 -0.46 -2.24 1.04 -1.26 -5.05 113.70 101.52 2e5s s SER 46 Ca 0.51 1.22 0.03 0.00 0.48 0.00 0.00 55.95 58.19 2e5s s SER 46 Cb 0.41 1.14 0.47 0.00 0.10 0.00 0.00 66.02 68.14 2e5s s SER 46 CO -0.02 -0.21 1.60 0.35 0.98 0.00 0.00 173.24 175.94 2e5s n THR 47 N 3.75 3.02 -1.46 2.02 -2.24 -1.26 -4.69 114.28 113.42 2e5s n THR 47 Ca -0.19 -3.48 -0.33 0.00 -2.27 0.00 0.00 64.05 57.78 2e5s n THR 47 Cb 0.57 -1.05 0.07 0.00 -2.10 0.00 0.00 70.33 67.81 2e5s n THR 47 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2e5s n MET 48 N -0.85 2.85 -3.18 -0.78 2.81 -1.26 -4.98 117.12 111.73 2e5s n MET 48 Ca 0.51 -3.44 -0.39 0.00 -1.81 0.00 0.00 57.70 52.57 2e5s n MET 48 Cb 0.86 -2.29 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2e5s s ILE 49 N -4.80 5.03 -0.39 2.02 1.01 -1.26 -4.38 121.20 118.43 2e5s s ILE 49 Ca 0.62 1.24 -0.25 0.00 0.00 0.00 0.00 60.65 62.26 2e5s s ILE 49 Cb 0.49 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 39.04 2e5s s ILE 49 CO -0.01 0.33 0.89 -1.81 0.00 0.00 0.00 174.94 174.34 2e5s s ASP 50 N 0.38 6.60 0.00 3.58 1.11 0.24 -4.89 116.67 123.69 2e5s s ASP 50 Ca 0.32 0.39 0.16 0.00 0.18 0.00 0.00 52.55 53.61 2e5s s ASP 50 Cb -0.17 -2.44 0.97 0.00 1.07 0.00 0.00 42.92 42.34 2e5s s ASP 50 CO 0.16 -0.87 1.38 0.35 1.18 0.00 0.00 175.17 177.36 2e5s n THR 51 N 6.04 0.00 -0.06 -1.27 -2.24 -1.26 0.16 114.28 115.65 2e5s n THR 51 Ca 0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 2e5s n THR 51 Cb 0.48 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.84 2e5s n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2e5s n SER 52 N -1.00 1.98 -0.62 3.42 2.88 -1.26 -4.59 113.62 114.43 2e5s n SER 52 Ca 0.12 0.33 0.04 0.00 -1.33 0.00 0.00 58.87 58.03 2e5s n SER 52 Cb 0.06 -0.93 0.06 0.00 -0.75 0.00 0.00 64.21 62.65 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e5s n ASP 53 N -4.02 1.00 -4.25 -3.46 8.00 -1.12 -4.99 116.55 107.71 2e5s n ASP 53 Ca -0.32 -2.50 -0.37 0.00 0.71 0.00 0.00 54.79 52.31 2e5s n ASP 53 Cb 0.84 -0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 2e5s n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2e5s n ASN 54 N -0.38 -1.70 -4.62 -2.24 6.94 0.41 -4.89 115.26 108.78 2e5s n ASN 54 Ca 0.08 -1.01 -0.24 0.00 -0.02 0.00 0.00 54.58 53.39 2e5s n ASN 54 Cb 0.78 -1.51 -0.08 0.00 -2.36 0.00 0.00 39.78 36.61 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2e5s s THR 55 N -3.06 2.83 0.07 5.53 -4.23 -1.21 -3.18 115.64 112.40 2e5s s THR 55 Ca 0.72 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 2e5s s THR 55 Cb -0.42 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 2e5s s THR 55 CO 0.89 -0.27 -0.20 0.68 -0.54 0.00 0.00 174.62 175.17 2e5s s VAL 56 N -2.46 1.65 0.45 2.29 -7.23 -0.39 -0.59 120.40 114.12 2e5s s VAL 56 Ca 0.33 -1.37 -0.22 0.00 -1.81 0.00 0.00 61.98 58.92 2e5s s VAL 56 Cb -0.02 -1.48 -0.09 0.00 0.56 0.00 0.00 36.38 35.35 2e5s s VAL 56 CO 0.19 0.05 1.02 -0.89 -0.31 0.00 0.00 175.10 175.16 2e5s s THR 57 N -1.00 3.88 -0.09 5.32 2.01 -1.26 -0.57 115.64 123.93 2e5s s THR 57 Ca 0.06 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.36 2e5s s THR 57 Cb -0.09 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 2e5s s THR 57 CO 0.03 -0.17 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.87 2e5s s VAL 58 N -1.91 2.22 -0.33 3.82 1.01 0.18 -2.20 120.40 123.18 2e5s s VAL 58 Ca 0.63 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2e5s s VAL 58 Cb -0.17 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2e5s s VAL 58 CO 0.21 0.56 1.72 0.00 0.00 0.00 0.00 175.10 177.59 2e5s h MET 60 N 12.33 -0.10 0.01 0.00 4.05 -1.95 -2.96 114.93 126.31 2e5s h MET 60 Ca -0.33 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.11 2e5s h MET 60 Cb 1.16 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 2e5s h MET 60 CO 1.04 -0.07 -0.35 -0.44 0.23 0.00 0.00 176.91 177.32 2e5s h ASP 61 N -0.11 -1.07 -0.89 1.39 5.19 -1.90 -2.27 116.42 116.78 2e5s h ASP 61 Ca 0.00 0.12 0.15 0.00 -0.62 0.00 0.00 57.03 56.68 2e5s h ASP 61 Cb 0.10 0.40 -0.15 0.00 0.18 0.00 0.00 39.33 39.86 2e5s h ASP 61 CO -0.01 -0.34 -0.31 0.00 -3.12 0.00 0.00 179.24 175.46 2e5s n TYR 62 N -4.40 0.10 -0.30 4.55 9.36 -1.20 0.13 117.16 125.41 2e5s n TYR 62 Ca -0.05 1.09 0.13 0.00 3.32 0.00 0.00 57.90 62.39 2e5s n TYR 62 Cb 0.26 -0.88 0.29 0.00 -0.63 0.00 0.00 39.34 38.37 2e5s n TYR 62 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2e5s h ILE 63 N 0.00 0.37 0.00 2.97 1.08 -1.24 1.03 117.51 121.72 2e5s h ILE 63 Ca 0.34 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.69 2e5s h ILE 63 Cb 0.56 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2e5s h ILE 63 CO -0.89 0.05 -0.12 0.11 -0.69 0.00 0.00 178.15 176.60 2e5s h LYS 64 N 0.26 0.00 0.00 2.37 1.57 0.12 -3.46 116.57 117.43 2e5s h LYS 64 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2e5s h LYS 64 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2e5s h LYS 64 CO -0.61 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 178.81 2e5s n GLY 65 N -0.88 1.30 3.03 3.86 0.00 0.35 -5.07 105.19 107.79 2e5s n GLY 65 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.94 -0.41 1.61 0.52 -1.24 -4.92 118.95 116.45 2e5s s ARG 66 Ca 0.00 -1.39 -0.07 0.00 -0.52 0.00 0.00 55.73 53.75 2e5s s ARG 66 Cb 0.00 -2.88 0.08 0.00 0.52 0.00 0.00 34.95 32.67 2e5s s ARG 66 CO 0.00 -0.66 0.24 0.00 0.02 0.00 0.00 175.30 174.89 2e5s n MET 68 N 4.84 0.63 -1.71 0.00 0.00 -1.26 -4.93 117.12 114.70 2e5s n MET 68 Ca -0.09 -2.19 -0.43 0.00 0.00 0.00 0.00 57.70 55.00 2e5s n MET 68 Cb 0.42 -0.81 -0.03 0.00 0.00 0.00 0.00 33.22 32.81 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2e5s n ARG 69 N -0.39 2.62 -1.42 2.12 1.74 -1.26 -4.80 116.66 115.27 2e5s n ARG 69 Ca 0.10 0.94 -0.55 0.00 -0.77 0.00 0.00 57.85 57.57 2e5s n ARG 69 Cb 0.83 -2.76 -0.09 0.00 -1.02 0.00 0.00 32.46 29.42 2e5s n ARG 69 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2e5s n GLU 70 N 3.61 0.75 -3.73 5.56 2.13 -1.26 -0.28 120.64 127.42 2e5s n GLU 70 Ca 0.15 0.22 -0.23 0.00 0.66 0.00 0.00 57.16 57.96 2e5s n GLU 70 Cb 0.34 -2.12 0.04 0.00 0.27 0.00 0.00 31.44 29.96 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2e5s n LYS 71 N 7.60 -5.34 -1.41 5.31 5.02 -1.26 -4.78 118.16 123.30 2e5s n LYS 71 Ca 0.43 0.64 -0.55 0.00 -2.02 0.00 0.00 58.31 56.81 2e5s n LYS 71 Cb 0.13 -5.34 -0.08 0.00 -0.02 0.00 0.00 35.03 29.73 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e5s n LYS 73 N 2.01 2.28 -4.43 0.00 0.00 -1.26 -5.08 118.16 111.68 2e5s n LYS 73 Ca 0.21 -3.71 -0.25 0.00 -0.00 0.00 0.00 58.31 54.57 2e5s n LYS 73 Cb 0.03 -1.80 -0.11 0.00 -0.00 0.00 0.00 35.03 33.15 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2e5s s TYR 74 N -3.73 2.23 0.36 5.58 2.02 -1.26 -5.05 117.35 117.50 2e5s s TYR 74 Ca 0.34 -0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 56.41 2e5s s TYR 74 Cb 0.35 -1.04 -0.09 0.00 -0.40 0.00 0.00 41.96 40.78 2e5s s TYR 74 CO -0.02 0.58 1.19 0.12 -1.57 0.00 0.00 175.55 175.85 2e5s s PHE 75 N -2.14 3.16 -0.33 2.71 2.19 -0.94 -4.73 117.98 117.91 2e5s s PHE 75 Ca 0.25 1.55 -0.03 0.00 0.33 0.00 0.00 56.93 59.02 2e5s s PHE 75 Cb -0.06 -3.45 0.06 0.00 -1.31 0.00 0.00 43.02 38.26 2e5s s PHE 75 CO 0.12 -1.30 0.06 -1.01 1.83 0.00 0.00 175.22 174.92 2e5s s HIS 76 N -1.29 3.31 0.81 10.12 3.76 -1.26 -2.68 115.29 128.07 2e5s s HIS 76 Ca 0.52 -1.83 -0.11 0.00 -0.15 0.00 0.00 55.06 53.49 2e5s s HIS 76 Cb -0.33 -2.34 0.08 0.00 1.11 0.00 0.00 32.58 31.10 2e5s s HIS 76 CO 0.43 -0.81 1.09 -1.25 -0.85 0.00 0.00 174.74 173.35 2e5s s PRO 77 N 1.28 1.93 1.18 8.40 0.04 -1.26 -5.05 135.00 141.52 2e5s s PRO 77 Ca -0.02 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 2e5s s PRO 77 Cb -0.20 -1.87 0.29 0.00 0.04 0.00 0.00 34.50 32.76 2e5s s PRO 77 CO -0.00 -1.84 1.05 -0.35 0.04 0.00 0.00 177.00 175.89 2e5s n PRO 78 N -3.64 -3.08 0.30 0.56 -0.04 -1.26 -4.63 135.00 123.21 2e5s n PRO 78 Ca 0.08 -1.68 -0.12 0.00 -0.04 0.00 0.00 63.50 61.75 2e5s n PRO 78 Cb 0.54 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.72 -1.07 -0.94 0.55 0.00 -1.98 0.26 119.26 113.35 2e5s h ALA 79 Ca -0.40 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.57 2e5s h ALA 79 Cb 1.21 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 19.12 2e5s h ALA 79 CO 0.26 -1.02 -0.09 1.12 0.00 0.00 0.00 179.25 179.52 2e5s h HIS 80 N -0.87 -0.25 0.48 0.00 2.07 -1.99 -0.90 115.15 113.70 2e5s h HIS 80 Ca -0.08 0.08 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 2e5s h HIS 80 Cb 0.60 0.26 0.00 0.00 2.57 0.00 0.00 27.41 30.84 2e5s h HIS 80 CO 0.07 -0.40 -0.23 -0.07 -3.07 0.00 0.00 177.93 174.23 2e5s h LEU 81 N 0.02 -0.55 -0.73 6.12 3.38 -1.91 -3.19 115.31 118.45 2e5s h LEU 81 Ca 0.51 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.66 2e5s h LEU 81 Cb 0.94 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 2e5s h LEU 81 CO -0.92 -0.15 0.16 0.00 0.09 0.00 0.00 178.44 177.63 2e5s n GLN 82 N -5.23 -0.05 0.33 1.13 6.02 0.92 0.89 117.38 121.39 2e5s n GLN 82 Ca -0.10 1.05 -0.17 0.00 -0.01 0.00 0.00 57.00 57.78 2e5s n GLN 82 Cb 0.30 -1.76 -0.09 0.00 1.02 0.00 0.00 30.24 29.72 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 1.45 -0.84 -0.75 -1.58 0.00 -1.35 -1.89 119.26 114.31 2e5s h ALA 83 Ca 0.51 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.39 2e5s h ALA 83 Cb 1.19 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 2e5s h ALA 83 CO -0.63 -0.98 -0.22 1.63 0.00 0.00 0.00 179.25 179.05 2e5s n LYS 84 N -5.46 -0.10 -0.02 0.00 5.02 0.26 0.70 118.16 118.56 2e5s n LYS 84 Ca -0.12 1.16 -0.13 0.00 -2.02 0.00 0.00 58.31 57.20 2e5s n LYS 84 Cb 0.35 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 2e5s n LYS 84 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2e5s h ILE 85 N 0.00 1.31 -1.00 -0.18 5.03 -1.44 -3.16 117.51 118.08 2e5s h ILE 85 Ca 0.33 -0.98 0.31 0.00 -0.12 0.00 0.00 64.86 64.40 2e5s h ILE 85 Cb 0.52 1.84 -0.19 0.00 -3.03 0.00 0.00 36.82 35.96 2e5s h ILE 85 CO -0.76 0.27 0.13 0.29 -0.68 0.00 0.00 178.15 177.40 2e5s n LYS 86 N -4.81 -0.08 -0.28 2.37 5.02 0.22 -0.03 118.16 120.59 2e5s n LYS 86 Ca -0.07 1.47 -0.02 0.00 -2.02 0.00 0.00 58.31 57.67 2e5s n LYS 86 Cb 0.24 -2.40 0.03 0.00 -0.02 0.00 0.00 35.03 32.88 2e5s n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e5s h ALA 87 N 2.00 0.13 -0.82 7.82 0.00 -1.31 0.31 119.26 127.39 2e5s h ALA 87 Ca 0.66 0.23 0.20 0.00 0.00 0.00 0.00 54.91 56.00 2e5s h ALA 87 Cb 1.47 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 19.95 2e5s h ALA 87 CO -0.90 -0.61 0.11 0.00 0.00 0.00 0.00 179.25 177.85 2e5s h ALA 88 N 1.27 1.02 -0.10 0.00 0.00 -0.61 -0.39 119.26 120.45 2e5s h ALA 88 Ca 0.30 0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.33 2e5s h ALA 88 Cb 0.57 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2e5s h ALA 88 CO -0.81 -0.44 -0.39 1.96 0.00 0.00 0.00 179.25 179.57 2e5s h GLN 89 N 0.15 0.45 -6.23 0.00 7.50 -0.62 -3.42 115.11 112.95 2e5s h GLN 89 Ca 0.48 -0.34 -0.54 0.00 0.50 0.00 0.00 58.65 58.75 2e5s h GLN 89 Cb 0.91 0.06 -0.04 0.00 0.05 0.00 0.00 27.48 28.47 2e5s h GLN 89 CO -0.67 0.97 1.25 -1.58 -1.50 0.00 0.00 178.83 177.30 2e5s s HIS 90 N -3.76 1.91 -0.33 2.96 2.46 0.67 -4.91 115.29 114.30 2e5s s HIS 90 Ca -0.13 0.66 -0.42 0.00 0.47 0.00 0.00 55.06 55.64 2e5s s HIS 90 Cb 0.05 -4.18 -0.17 0.00 -0.13 0.00 0.00 32.58 28.15 2e5s s HIS 90 CO 0.80 -2.45 1.69 1.04 -2.47 0.00 0.00 174.74 173.35 2e5s n GLN 91 N 8.67 0.82 -3.65 2.88 6.02 -1.26 -4.79 117.38 126.08 2e5s n GLN 91 Ca 0.20 0.30 -0.05 0.00 -0.01 0.00 0.00 57.00 57.44 2e5s n GLN 91 Cb 0.49 -1.93 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s s ALA 92 N 3.31 -1.75 -1.22 -1.58 0.00 -1.26 -5.09 121.76 114.17 2e5s s ALA 92 Ca 1.00 2.13 -0.13 0.00 0.00 0.00 0.00 51.96 54.95 2e5s s ALA 92 Cb -1.19 -1.54 0.17 0.00 0.00 0.00 0.00 23.12 20.56 2e5s s ALA 92 CO 0.70 -0.72 1.48 0.27 0.00 0.00 0.00 175.76 177.48 2e5s n ASN 93 N 5.10 5.21 -3.97 0.00 6.94 -1.26 -4.94 115.26 122.34 2e5s n ASN 93 Ca -0.14 -2.99 -0.16 0.00 -0.02 0.00 0.00 54.58 51.28 2e5s n ASN 93 Cb 0.52 -1.57 -0.09 0.00 -2.36 0.00 0.00 39.78 36.28 2e5s n ASN 93 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2e5s s GLN 94 N 1.54 1.45 -0.17 -3.83 -1.52 -1.26 -5.13 119.66 110.74 2e5s s GLN 94 Ca 0.43 -1.81 -0.28 0.00 -1.95 0.00 0.00 55.36 51.76 2e5s s GLN 94 Cb -0.02 0.13 -0.01 0.00 -0.22 0.00 0.00 33.01 32.90 2e5s s GLN 94 CO 0.00 -0.46 0.95 0.00 -0.25 0.00 0.00 175.29 175.54 2e5s s ALA 95 N -3.81 3.54 -0.20 6.09 0.00 -1.26 -5.01 121.76 121.11 2e5s s ALA 95 Ca 0.38 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 2e5s s ALA 95 Cb 0.05 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.89 2e5s s ALA 95 CO 0.17 -0.78 0.96 0.00 0.00 0.00 0.00 175.76 176.11 2e5s s ALA 96 N 2.48 -1.92 0.09 0.00 0.00 -1.26 -5.15 121.76 116.00 2e5s s ALA 96 Ca 0.43 1.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 2e5s s ALA 96 Cb -0.17 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2e5s s ALA 96 CO 0.12 -0.29 1.04 0.08 0.00 0.00 0.00 175.76 176.71 2e5s s VAL 97 N -0.50 4.37 -2.00 0.00 1.01 -1.26 -5.22 120.40 116.81 2e5s s VAL 97 Ca -0.01 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.87 2e5s s VAL 97 Cb -0.02 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.27 2e5s s VAL 97 CO -0.01 0.23 0.71 0.00 0.00 0.00 0.00 175.10 176.04