#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 0.30 0.01 1.61 1.04 -1.26 -5.09 113.70 110.31 2e5s s SER 2 Ca 0.00 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.51 2e5s s SER 2 Cb 0.00 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 2e5s s SER 2 CO 0.00 -0.68 -0.11 -1.54 0.98 0.00 0.00 173.24 171.89 2e5s n SER 3 N 0.01 1.33 -0.69 7.02 3.41 -1.26 -5.12 113.62 118.32 2e5s n SER 3 Ca -0.14 0.19 0.07 0.00 -0.26 0.00 0.00 58.87 58.74 2e5s n SER 3 Cb 0.62 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2e5s n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5s n GLY 4 N 2.83 -0.83 3.65 5.00 0.00 -1.26 -4.98 105.19 109.59 2e5s n GLY 4 Ca -0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5s s SER 5 N -4.16 -0.26 -0.28 1.61 0.15 -1.26 -5.18 113.70 104.32 2e5s s SER 5 Ca 0.00 0.45 -0.24 0.00 0.70 0.00 0.00 55.95 56.86 2e5s s SER 5 Cb 0.00 0.81 0.13 0.00 -1.71 0.00 0.00 66.02 65.25 2e5s s SER 5 CO 0.00 -0.07 1.03 -0.44 1.20 0.00 0.00 173.24 174.96 2e5s s SER 6 N 0.71 -0.45 0.00 5.45 0.01 -1.26 -5.17 113.70 112.99 2e5s s SER 6 Ca -0.02 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2e5s s SER 6 Cb -0.04 0.90 0.00 0.00 0.21 0.00 0.00 66.02 67.10 2e5s s SER 6 CO -0.12 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2e5s n GLY 7 N 2.37 4.16 3.43 3.44 0.00 -1.26 -5.10 105.19 112.23 2e5s n GLY 7 Ca -0.13 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 2e5s n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5s s SER 8 N 0.00 6.16 0.07 1.61 1.04 -1.26 -5.05 113.70 116.27 2e5s s SER 8 Ca 0.00 -1.03 -0.31 0.00 0.48 0.00 0.00 55.95 55.10 2e5s s SER 8 Cb 0.00 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.86 2e5s s SER 8 CO 0.00 -0.62 1.25 0.28 0.98 0.00 0.00 173.24 175.13 2e5s s THR 9 N 1.90 3.85 -0.15 2.02 -1.32 -1.26 -5.02 115.64 115.65 2e5s s THR 9 Ca 0.08 1.32 -0.06 0.00 -1.21 0.00 0.00 61.69 61.82 2e5s s THR 9 Cb -0.21 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 66.90 2e5s s THR 9 CO 0.10 0.10 0.06 0.00 -2.21 0.00 0.00 174.62 172.66 2e5s s ALA 10 N 1.14 3.44 -0.03 11.08 0.00 -1.26 -5.01 121.76 131.12 2e5s s ALA 10 Ca 0.60 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2e5s s ALA 10 Cb -0.31 -1.83 -0.32 0.00 0.00 0.00 0.00 23.12 20.65 2e5s s ALA 10 CO 0.29 0.33 0.91 1.79 0.00 0.00 0.00 175.76 179.07 2e5s h THR 11 N 4.61 1.44 -0.95 0.00 1.35 -2.06 -3.33 112.91 113.97 2e5s h THR 11 Ca -0.42 -2.57 -0.49 0.00 -0.55 0.00 0.00 66.41 62.38 2e5s h THR 11 Cb 1.18 3.15 -0.18 0.00 -1.73 0.00 0.00 68.15 70.57 2e5s h THR 11 CO 0.65 0.74 0.51 0.00 -0.25 0.00 0.00 175.52 177.17 2e5s n GLN 12 N -4.02 2.27 -1.13 4.72 6.02 -1.26 -4.60 117.38 119.39 2e5s n GLN 12 Ca -0.15 -2.29 -0.27 0.00 -0.01 0.00 0.00 57.00 54.28 2e5s n GLN 12 Cb 0.90 -2.00 0.07 0.00 1.02 0.00 0.00 30.24 30.23 2e5s n GLN 12 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2e5s n LYS 13 N 0.41 2.29 -1.92 -1.09 4.81 -1.25 -4.98 118.16 116.43 2e5s n LYS 13 Ca 0.45 -2.56 -0.33 0.00 -0.87 0.00 0.00 58.31 55.00 2e5s n LYS 13 Cb 0.54 -2.00 0.03 0.00 0.02 0.00 0.00 35.03 33.61 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2e5s s LEU 14 N -2.96 3.45 -0.15 3.14 -0.00 -1.26 -5.05 118.68 115.84 2e5s s LEU 14 Ca 0.50 1.89 -0.34 0.00 -0.00 0.00 0.00 54.13 56.18 2e5s s LEU 14 Cb 0.40 -4.54 0.13 0.00 -0.00 0.00 0.00 46.19 42.18 2e5s s LEU 14 CO 0.00 -1.36 1.20 -1.48 -0.00 0.00 0.00 176.35 174.71 2e5s s LEU 15 N -4.66 -0.14 0.50 1.48 0.05 -1.26 -5.18 118.68 109.47 2e5s s LEU 15 Ca 0.65 -0.02 0.03 0.00 0.05 0.00 0.00 54.13 54.84 2e5s s LEU 15 Cb -0.18 1.43 0.02 0.00 -2.05 0.00 0.00 46.19 45.41 2e5s s LEU 15 CO 0.39 -0.27 0.71 -0.13 -0.55 0.00 0.00 176.35 176.50 2e5s s ARG 16 N -2.47 2.66 -0.07 1.48 1.81 -1.26 -5.05 118.95 116.05 2e5s s ARG 16 Ca 0.10 -0.91 0.05 0.00 -1.72 0.00 0.00 55.73 53.25 2e5s s ARG 16 Cb -0.00 -2.58 -0.08 0.00 -0.45 0.00 0.00 34.95 31.85 2e5s s ARG 16 CO -0.05 -0.55 0.01 -2.37 -0.68 0.00 0.00 175.30 171.65 2e5s n THR 17 N -2.18 0.45 0.14 0.02 5.66 -1.26 -4.59 114.28 112.52 2e5s n THR 17 Ca 0.08 -0.26 -0.06 0.00 -3.05 0.00 0.00 64.05 60.75 2e5s n THR 17 Cb 0.59 -0.82 0.03 0.00 -1.55 0.00 0.00 70.33 68.59 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 -2.33 4.00 -4.23 1.09 5.75 -1.26 -4.82 116.55 114.75 2e5s n ASP 18 Ca -0.11 -2.47 -0.29 0.00 -0.01 0.00 0.00 54.79 51.91 2e5s n ASP 18 Cb 0.70 -0.74 -0.16 0.00 -1.03 0.00 0.00 41.12 39.90 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2e5s s LYS 19 N -0.77 1.99 -0.05 0.11 0.00 -1.26 0.13 119.74 119.89 2e5s s LYS 19 Ca 0.13 -0.79 0.05 0.00 0.00 0.00 0.00 55.97 55.36 2e5s s LYS 19 Cb 0.11 -1.82 -0.01 0.00 0.00 0.00 0.00 37.83 36.11 2e5s s LYS 19 CO 0.02 0.41 -0.21 -0.51 0.00 0.00 0.00 175.35 175.06 2e5s s LEU 20 N -0.33 1.99 -0.43 2.77 1.43 -0.23 -4.95 118.68 118.94 2e5s s LEU 20 Ca 0.03 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 2e5s s LEU 20 Cb -0.10 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 44.99 2e5s s LEU 20 CO 0.01 0.20 1.12 -1.61 0.23 0.00 0.00 176.35 176.29 2e5s s GLU 21 N -0.06 3.82 -0.00 1.70 2.02 -1.26 -1.08 118.70 123.84 2e5s s GLU 21 Ca -0.04 0.71 -0.30 0.00 0.02 0.00 0.00 54.97 55.37 2e5s s GLU 21 Cb -0.12 -3.86 -0.07 0.00 0.10 0.00 0.00 34.13 30.18 2e5s s GLU 21 CO 0.03 -1.24 1.73 0.08 0.02 0.00 0.00 175.26 175.88 2e5s s VAL 22 N 4.21 3.31 0.62 2.63 1.01 -0.70 -2.55 120.40 128.92 2e5s s VAL 22 Ca 0.47 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.76 2e5s s VAL 22 Cb -0.09 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2e5s s VAL 22 CO 0.27 -0.03 0.86 0.00 0.00 0.00 0.00 175.10 176.19 2e5s n ARG 24 N -0.94 0.73 0.35 0.00 5.12 -1.26 -4.04 116.66 116.62 2e5s n ARG 24 Ca 0.13 0.24 -0.14 0.00 -1.93 0.00 0.00 57.85 56.15 2e5s n ARG 24 Cb 0.48 -1.68 -0.07 0.00 -1.16 0.00 0.00 32.46 30.03 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e5s h GLU 25 N 0.05 -0.89 -0.93 5.56 3.07 -1.97 -3.23 114.58 116.25 2e5s h GLU 25 Ca -0.44 0.06 0.18 0.00 -0.50 0.00 0.00 59.36 58.66 2e5s h GLU 25 Cb 2.02 0.20 -0.17 0.00 -0.84 0.00 0.00 28.75 29.96 2e5s h GLU 25 CO 0.06 -0.60 -0.27 0.35 -1.40 0.00 0.00 179.01 177.15 2e5s h PHE 26 N -1.17 -0.65 -0.88 4.33 3.04 -1.87 0.36 116.94 120.09 2e5s h PHE 26 Ca -0.09 0.09 0.19 0.00 3.98 0.00 0.00 57.97 62.13 2e5s h PHE 26 Cb 0.71 0.43 -0.17 0.00 2.56 0.00 0.00 35.95 39.48 2e5s h PHE 26 CO 0.01 -0.40 -0.18 1.04 -2.02 0.00 0.00 178.31 176.76 2e5s n GLN 27 N -5.56 -0.08 0.10 1.11 6.02 -1.22 0.14 117.38 117.90 2e5s n GLN 27 Ca 0.13 1.37 0.08 0.00 -0.01 0.00 0.00 57.00 58.56 2e5s n GLN 27 Cb 0.45 -2.06 -0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 -0.21 -1.09 0.11 -0.65 -3.49 114.38 109.05 2e5s h ARG 28 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 2e5s h ARG 28 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2e5s h ARG 28 CO -0.90 0.11 0.00 0.41 0.10 0.00 0.00 179.97 179.69 2e5s n GLY 29 N 1.23 0.66 0.00 0.08 0.00 0.38 -5.04 105.19 102.50 2e5s n GLY 29 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.11 3.51 -4.68 1.61 5.15 -0.98 -4.94 115.26 114.83 2e5s n ASN 30 Ca 0.00 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.52 2e5s n ASN 30 Cb 0.04 0.38 -0.04 0.00 -0.53 0.00 0.00 39.78 39.63 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 5.33 3.54 0.37 0.00 0.00 -1.26 -4.25 120.51 124.25 2e5s n ALA 32 Ca 0.19 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.27 2e5s n ALA 32 Cb 0.32 -0.68 0.38 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.82 0.00 3.08 -1.90 -3.49 114.38 109.24 2e5s h ARG 33 Ca 0.00 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.34 2e5s h ARG 33 Cb 0.68 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 2e5s h ARG 33 CO 0.00 0.00 -0.69 0.41 -1.07 0.00 0.00 179.97 178.62 2e5s n GLY 34 N 0.81 -1.99 0.00 0.04 0.00 -1.26 -0.47 105.19 102.32 2e5s n GLY 34 Ca 0.04 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.31 2e5s n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2e5s n GLU 35 N -3.76 0.38 -0.03 1.61 0.00 -1.26 0.66 120.64 118.24 2e5s n GLU 35 Ca -0.03 0.04 -0.16 0.00 0.00 0.00 0.00 57.16 57.01 2e5s n GLU 35 Cb 0.64 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.44 2e5s n GLU 35 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2e5s n THR 36 N -1.08 1.65 0.16 3.84 -2.24 -1.25 -4.39 114.28 110.98 2e5s n THR 36 Ca 0.10 -0.70 0.03 0.00 -2.27 0.00 0.00 64.05 61.20 2e5s n THR 36 Cb 0.07 -1.36 0.04 0.00 -2.10 0.00 0.00 70.33 66.98 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 -3.25 1.73 -4.72 3.42 -0.08 0.38 -4.99 116.55 109.04 2e5s n ASP 37 Ca -0.30 -1.43 -0.35 0.00 -1.51 0.00 0.00 54.79 51.20 2e5s n ASP 37 Cb 1.05 -0.03 -0.09 0.00 2.34 0.00 0.00 41.12 44.40 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e5s h ARG 39 N 5.65 0.00 -6.43 0.00 3.08 -1.91 -3.44 114.38 111.33 2e5s h ARG 39 Ca -0.47 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.04 2e5s h ARG 39 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2e5s h ARG 39 CO 0.61 0.20 -0.06 -0.06 -1.07 0.00 0.00 179.97 179.59 2e5s s PHE 40 N -3.83 3.51 0.25 3.04 0.40 -1.26 -4.89 117.98 115.20 2e5s s PHE 40 Ca -0.01 1.03 -0.28 0.00 -0.60 0.00 0.00 56.93 57.08 2e5s s PHE 40 Cb 0.11 -2.36 -0.09 0.00 0.51 0.00 0.00 43.02 41.19 2e5s s PHE 40 CO 0.62 0.32 0.91 0.00 0.70 0.00 0.00 175.22 177.77 2e5s s ALA 41 N -1.66 3.32 -0.45 5.36 0.00 -1.06 -4.68 121.76 122.59 2e5s s ALA 41 Ca 0.44 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2e5s s ALA 41 Cb -0.13 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 19.96 2e5s s ALA 41 CO 0.20 0.22 0.31 -1.01 0.00 0.00 0.00 175.76 175.48 2e5s s HIS 42 N -1.32 3.45 -0.81 0.00 3.76 -1.26 -2.16 115.29 116.94 2e5s s HIS 42 Ca 0.43 -1.94 -0.25 0.00 -0.15 0.00 0.00 55.06 53.15 2e5s s HIS 42 Cb -0.23 -3.39 -0.04 0.00 1.11 0.00 0.00 32.58 30.03 2e5s s HIS 42 CO 0.28 -0.98 1.92 -1.25 -0.85 0.00 0.00 174.74 173.87 2e5s s PRO 43 N 1.33 2.57 0.14 8.40 0.04 -1.26 -4.82 135.00 141.40 2e5s s PRO 43 Ca 0.06 -0.00 -0.15 0.00 0.04 0.00 0.00 61.00 60.95 2e5s s PRO 43 Cb -0.25 -4.85 0.01 0.00 0.04 0.00 0.00 34.50 29.45 2e5s s PRO 43 CO -0.01 -3.18 1.68 0.00 0.04 0.00 0.00 177.00 175.53 2e5s h ALA 44 N 12.45 0.59 -2.71 8.56 0.00 -1.96 -3.44 119.26 132.76 2e5s h ALA 44 Ca -0.01 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 54.20 2e5s h ALA 44 Cb 1.05 -0.18 0.16 0.00 0.00 0.00 0.00 17.79 18.83 2e5s h ALA 44 CO 1.21 0.22 0.39 -0.51 0.00 0.00 0.00 179.25 180.56 2e5s s ASP 45 N -5.97 4.06 0.76 0.00 1.01 -1.26 -5.01 116.67 110.26 2e5s s ASP 45 Ca -0.13 2.39 -0.10 0.00 0.71 0.00 0.00 52.55 55.42 2e5s s ASP 45 Cb 0.11 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.51 2e5s s ASP 45 CO 0.77 -2.36 1.12 -0.44 0.21 0.00 0.00 175.17 174.47 2e5s s SER 46 N -1.99 4.71 -1.10 0.27 0.01 -1.26 -3.98 113.70 110.36 2e5s s SER 46 Ca 0.75 0.71 -0.14 0.00 1.31 0.00 0.00 55.95 58.58 2e5s s SER 46 Cb -0.30 -1.29 0.14 0.00 0.21 0.00 0.00 66.02 64.78 2e5s s SER 46 CO 0.46 -1.74 0.35 1.07 0.41 0.00 0.00 173.24 173.79 2e5s n THR 47 N -3.15 0.00 -1.60 1.44 5.66 -1.26 -4.75 114.28 110.62 2e5s n THR 47 Ca 0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.96 2e5s n THR 47 Cb 0.60 -0.29 0.14 0.00 -1.55 0.00 0.00 70.33 69.24 2e5s n THR 47 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2e5s n MET 48 N -3.27 2.33 -4.09 1.09 0.00 -1.26 -5.00 117.12 106.93 2e5s n MET 48 Ca 0.07 -3.45 -0.12 0.00 0.00 0.00 0.00 57.70 54.19 2e5s n MET 48 Cb 0.44 -1.97 -0.11 0.00 0.00 0.00 0.00 33.22 31.58 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 -3.75 0.57 -0.27 1.12 1.01 -1.26 -4.87 121.20 113.75 2e5s s ILE 49 Ca 0.48 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 2e5s s ILE 49 Cb 0.42 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 42.05 2e5s s ILE 49 CO -0.00 -0.50 0.01 -0.62 0.00 0.00 0.00 174.94 173.83 2e5s s ASP 50 N -1.92 4.72 0.00 3.58 2.15 -1.26 -4.96 116.67 118.99 2e5s s ASP 50 Ca -0.05 -0.81 0.19 0.00 0.43 0.00 0.00 52.55 52.31 2e5s s ASP 50 Cb -0.06 -1.77 1.16 0.00 -0.30 0.00 0.00 42.92 41.95 2e5s s ASP 50 CO -0.01 -0.16 1.58 0.35 -0.17 0.00 0.00 175.17 176.76 2e5s n THR 51 N 4.76 0.00 -0.09 1.71 -2.24 -1.26 0.21 114.28 117.37 2e5s n THR 51 Ca -0.15 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 2e5s n THR 51 Cb 0.47 -0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.93 2.02 0.00 3.42 2.88 -1.26 -4.76 113.62 114.99 2e5s n SER 52 Ca 0.15 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2e5s n SER 52 Cb 0.07 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 -3.38 3.38 -2.03 -3.46 8.00 -1.15 -5.04 116.55 112.85 2e5s n ASP 53 Ca -0.42 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 54.95 2e5s n ASP 53 Cb 1.00 0.43 0.04 0.00 -0.02 0.00 0.00 41.12 42.56 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2e5s n ASN 54 N -1.38 -4.26 -4.11 -2.24 5.15 0.58 -4.96 115.26 104.03 2e5s n ASN 54 Ca 0.00 -0.25 -0.20 0.00 -0.60 0.00 0.00 54.58 53.54 2e5s n ASN 54 Cb 0.25 -2.94 -0.14 0.00 -0.53 0.00 0.00 39.78 36.42 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 -3.08 0.99 0.05 -0.44 -4.23 -1.26 -1.72 115.64 105.97 2e5s s THR 55 Ca 0.27 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 2e5s s THR 55 Cb -0.12 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2e5s s THR 55 CO 0.33 0.05 -0.08 0.68 -0.54 0.00 0.00 174.62 175.06 2e5s s VAL 56 N -0.70 3.51 0.65 2.29 -7.23 -0.24 -4.52 120.40 114.17 2e5s s VAL 56 Ca 0.02 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 2e5s s VAL 56 Cb -0.07 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 2e5s s VAL 56 CO 0.01 0.25 1.13 -0.89 -0.31 0.00 0.00 175.10 175.28 2e5s s THR 57 N -1.11 3.11 -0.22 5.32 2.01 -1.26 -1.06 115.64 122.42 2e5s s THR 57 Ca 0.19 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 2e5s s THR 57 Cb -0.11 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.34 2e5s s THR 57 CO 0.11 -0.29 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.96 2e5s s VAL 58 N -2.22 2.81 -0.12 3.82 1.01 0.34 -3.16 120.40 122.87 2e5s s VAL 58 Ca 0.69 -0.83 -0.34 0.00 0.00 0.00 0.00 61.98 61.49 2e5s s VAL 58 Cb -0.22 -2.32 -0.12 0.00 0.00 0.00 0.00 36.38 33.73 2e5s s VAL 58 CO 0.40 0.36 1.91 0.00 0.00 0.00 0.00 175.10 177.78 2e5s h MET 60 N 9.60 -0.21 0.04 0.00 4.05 -1.97 -3.23 114.93 123.20 2e5s h MET 60 Ca -0.47 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 58.98 2e5s h MET 60 Cb 1.28 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.08 2e5s h MET 60 CO 0.96 0.18 -0.50 -0.44 0.23 0.00 0.00 176.91 177.34 2e5s h ASP 61 N -0.69 -1.52 -0.79 1.39 5.19 -1.90 -2.25 116.42 115.86 2e5s h ASP 61 Ca -0.02 0.17 0.13 0.00 -0.62 0.00 0.00 57.03 56.68 2e5s h ASP 61 Cb 0.49 0.57 -0.13 0.00 0.18 0.00 0.00 39.33 40.45 2e5s h ASP 61 CO 0.04 -0.50 -0.30 0.00 -3.12 0.00 0.00 179.24 175.36 2e5s n TYR 62 N -5.25 0.05 -0.31 4.55 9.36 -1.25 0.21 117.16 124.51 2e5s n TYR 62 Ca -0.07 0.97 0.12 0.00 3.32 0.00 0.00 57.90 62.23 2e5s n TYR 62 Cb 0.37 -0.81 0.29 0.00 -0.63 0.00 0.00 39.34 38.57 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 0.59 0.00 2.97 1.08 -1.43 0.64 117.51 121.37 2e5s h ILE 63 Ca 0.28 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2e5s h ILE 63 Cb 0.48 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2e5s h ILE 63 CO -0.78 0.10 -0.02 0.11 -0.69 0.00 0.00 178.15 176.87 2e5s h LYS 64 N 0.54 0.00 0.00 2.37 1.79 0.25 -3.46 116.57 118.06 2e5s h LYS 64 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 2e5s h LYS 64 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2e5s h LYS 64 CO -0.45 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.35 2e5s n GLY 65 N -1.17 2.31 2.83 3.86 0.00 0.22 -5.05 105.19 108.19 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2e5s n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e5s s ARG 66 N -0.14 1.08 -0.52 1.61 1.70 -1.25 -4.96 118.95 116.48 2e5s s ARG 66 Ca 0.00 -0.99 -0.08 0.00 -0.47 0.00 0.00 55.73 54.20 2e5s s ARG 66 Cb 0.00 -2.34 0.13 0.00 -0.57 0.00 0.00 34.95 32.17 2e5s s ARG 66 CO 0.00 -0.78 0.38 0.00 -1.08 0.00 0.00 175.30 173.82 2e5s n MET 68 N 4.55 2.18 -1.53 0.00 2.81 -1.26 -4.93 117.12 118.94 2e5s n MET 68 Ca -0.03 -2.80 -0.38 0.00 -1.81 0.00 0.00 57.70 52.68 2e5s n MET 68 Cb 0.41 -1.71 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2e5s n ARG 69 N -0.93 0.82 -0.87 0.03 1.74 -1.26 -4.73 116.66 111.46 2e5s n ARG 69 Ca 0.21 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.92 2e5s n ARG 69 Cb 0.81 -2.91 -0.08 0.00 -1.02 0.00 0.00 32.46 29.25 2e5s n ARG 69 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2e5s n GLU 70 N 8.83 0.00 -3.21 5.56 1.02 -1.26 0.78 120.64 132.36 2e5s n GLU 70 Ca 0.44 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.43 2e5s n GLU 70 Cb 0.40 -1.02 0.07 0.00 -0.02 0.00 0.00 31.44 30.87 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2e5s n LYS 71 N 5.16 -4.10 -1.77 3.49 5.02 -1.26 -4.91 118.16 119.79 2e5s n LYS 71 Ca 0.38 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 57.04 2e5s n LYS 71 Cb -0.02 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.42 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 3.81 1.12 -3.36 0.00 -0.00 -1.26 -5.06 118.16 113.40 2e5s n LYS 73 Ca 0.15 -1.84 -0.27 0.00 -0.00 0.00 0.00 58.31 56.34 2e5s n LYS 73 Cb 0.36 -1.09 -0.03 0.00 -0.00 0.00 0.00 35.03 34.28 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 -1.62 3.49 0.40 5.58 1.51 -1.26 -5.07 117.35 120.38 2e5s s TYR 74 Ca 0.16 0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 56.51 2e5s s TYR 74 Cb 0.14 -2.03 -0.09 0.00 -0.11 0.00 0.00 41.96 39.88 2e5s s TYR 74 CO 0.02 0.17 1.13 0.12 -1.11 0.00 0.00 175.55 175.87 2e5s s PHE 75 N -2.14 3.14 -0.30 2.71 5.36 -1.19 -4.80 117.98 120.76 2e5s s PHE 75 Ca 0.42 1.59 0.01 0.00 -0.96 0.00 0.00 56.93 57.99 2e5s s PHE 75 Cb -0.10 -3.31 0.07 0.00 -0.34 0.00 0.00 43.02 39.33 2e5s s PHE 75 CO 0.32 -1.09 -0.03 -1.01 -1.46 0.00 0.00 175.22 171.95 2e5s s HIS 76 N -1.47 3.36 0.80 10.12 3.76 -1.26 -2.88 115.29 127.71 2e5s s HIS 76 Ca 0.57 -2.26 -0.11 0.00 -0.15 0.00 0.00 55.06 53.11 2e5s s HIS 76 Cb -0.28 -2.22 0.07 0.00 1.11 0.00 0.00 32.58 31.26 2e5s s HIS 76 CO 0.35 -0.87 1.09 -1.25 -0.85 0.00 0.00 174.74 173.22 2e5s s PRO 77 N 1.13 2.04 1.19 8.40 0.04 -1.26 -5.05 135.00 141.50 2e5s s PRO 77 Ca -0.04 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 61.90 2e5s s PRO 77 Cb -0.20 -1.88 0.30 0.00 0.04 0.00 0.00 34.50 32.76 2e5s s PRO 77 CO -0.04 -1.77 1.06 -0.35 0.04 0.00 0.00 177.00 175.93 2e5s n PRO 78 N -3.60 -3.09 0.42 0.56 -0.04 -1.26 -4.61 135.00 123.38 2e5s n PRO 78 Ca 0.09 -1.69 -0.17 0.00 -0.04 0.00 0.00 63.50 61.69 2e5s n PRO 78 Cb 0.53 -1.59 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.28 -0.51 0.55 0.00 -1.96 0.30 119.26 113.64 2e5s h ALA 79 Ca -0.40 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.35 2e5s h ALA 79 Cb 1.22 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 2e5s h ALA 79 CO 0.26 -1.21 -0.48 1.12 0.00 0.00 0.00 179.25 178.94 2e5s h HIS 80 N -1.08 -1.43 0.22 0.00 -0.00 -1.94 -1.81 115.15 109.10 2e5s h HIS 80 Ca -0.11 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2e5s h HIS 80 Cb 0.84 0.70 -0.02 0.00 -0.00 0.00 0.00 27.41 28.92 2e5s h HIS 80 CO 0.01 -0.45 -0.22 -0.07 -0.00 0.00 0.00 177.93 177.20 2e5s h LEU 81 N -0.29 -0.60 -0.84 6.12 3.38 -1.92 -2.27 115.31 118.89 2e5s h LEU 81 Ca 0.14 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.51 2e5s h LEU 81 Cb 0.57 0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.38 2e5s h LEU 81 CO -0.65 -0.33 0.44 0.00 0.09 0.00 0.00 178.44 177.99 2e5s n GLN 82 N -5.35 -0.05 -0.02 1.13 6.02 0.10 0.13 117.38 119.34 2e5s n GLN 82 Ca -0.08 1.16 -0.13 0.00 -0.01 0.00 0.00 57.00 57.94 2e5s n GLN 82 Cb 0.26 -2.08 -0.09 0.00 1.02 0.00 0.00 30.24 29.36 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 1.68 0.06 -1.00 -1.58 0.00 -0.95 -2.16 119.26 115.30 2e5s h ALA 83 Ca 0.70 -0.24 0.40 0.00 0.00 0.00 0.00 54.91 55.77 2e5s h ALA 83 Cb 1.85 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 19.45 2e5s h ALA 83 CO -0.65 -0.18 0.52 0.87 0.00 0.00 0.00 179.25 179.81 2e5s h LYS 84 N -0.32 0.04 0.00 0.00 1.57 0.13 0.11 116.57 118.09 2e5s h LYS 84 Ca 0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2e5s h LYS 84 Cb 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2e5s h LYS 84 CO 0.01 0.02 -0.07 0.82 -0.57 0.00 0.00 179.45 179.66 2e5s h ILE 85 N 0.04 1.62 -0.96 1.86 5.03 -1.45 -3.34 117.51 120.30 2e5s h ILE 85 Ca 0.82 -2.24 0.31 0.00 -0.12 0.00 0.00 64.86 63.63 2e5s h ILE 85 Cb 2.14 3.09 -0.16 0.00 -3.03 0.00 0.00 36.82 38.85 2e5s h ILE 85 CO -0.76 0.55 0.33 0.11 -0.68 0.00 0.00 178.15 177.70 2e5s h LYS 86 N -1.00 0.12 -0.64 2.37 1.57 -0.16 -0.33 116.57 118.50 2e5s h LYS 86 Ca -0.02 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2e5s h LYS 86 Cb 0.95 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.13 2e5s h LYS 86 CO -0.01 0.08 -0.57 0.00 -0.57 0.00 0.00 179.45 178.38 2e5s h ALA 87 N 1.90 -0.68 -0.99 3.86 0.00 -1.26 0.14 119.26 122.23 2e5s h ALA 87 Ca 0.68 0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.90 2e5s h ALA 87 Cb 1.55 1.22 -0.18 0.00 0.00 0.00 0.00 17.79 20.38 2e5s h ALA 87 CO -0.74 -1.02 0.01 0.00 0.00 0.00 0.00 179.25 177.50 2e5s h ALA 88 N 0.19 1.13 -0.23 0.00 0.00 -1.23 0.45 119.26 119.57 2e5s h ALA 88 Ca 0.11 0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 2e5s h ALA 88 Cb 0.53 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2e5s h ALA 88 CO -0.73 -0.56 0.03 1.96 0.00 0.00 0.00 179.25 179.95 2e5s h GLN 89 N 0.01 0.38 -6.25 0.00 7.50 -0.85 -3.45 115.11 112.45 2e5s h GLN 89 Ca 0.59 -0.11 -0.54 0.00 0.50 0.00 0.00 58.65 59.09 2e5s h GLN 89 Cb 1.19 -0.04 0.23 0.00 0.05 0.00 0.00 27.48 28.91 2e5s h GLN 89 CO -0.93 0.53 -1.50 1.58 -1.50 0.00 0.00 178.83 177.01 2e5s n HIS 90 N -4.70 -3.86 -4.58 2.96 -0.00 0.16 -4.96 115.22 100.23 2e5s n HIS 90 Ca -0.04 0.08 -0.34 0.00 0.46 0.00 0.00 57.72 57.88 2e5s n HIS 90 Cb 0.20 -1.54 -0.12 0.00 -0.12 0.00 0.00 29.99 28.41 2e5s n HIS 90 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2e5s s GLN 91 N -2.52 3.19 -0.24 1.57 0.74 -1.26 -5.00 119.66 116.14 2e5s s GLN 91 Ca 0.45 -0.56 -0.29 0.00 0.05 0.00 0.00 55.36 55.01 2e5s s GLN 91 Cb -0.18 -2.71 0.16 0.00 1.10 0.00 0.00 33.01 31.39 2e5s s GLN 91 CO 0.77 0.43 1.21 0.00 -0.55 0.00 0.00 175.29 177.16 2e5s s ALA 92 N -0.18 -2.05 -0.14 1.58 0.00 -1.26 -5.03 121.76 114.68 2e5s s ALA 92 Ca 0.02 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.71 2e5s s ALA 92 Cb -0.13 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 2e5s s ALA 92 CO 0.03 -0.26 2.93 0.09 0.00 0.00 0.00 175.76 178.55 2e5s n ASN 93 N 0.72 5.68 -4.17 0.00 5.03 -1.26 -4.80 115.26 116.46 2e5s n ASN 93 Ca -0.05 -2.70 -0.37 0.00 0.87 0.00 0.00 54.58 52.33 2e5s n ASN 93 Cb 0.58 -1.28 -0.11 0.00 -1.02 0.00 0.00 39.78 37.95 2e5s n ASN 93 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2e5s s GLN 94 N -0.13 2.25 -0.01 3.52 0.74 -1.26 -4.97 119.66 119.80 2e5s s GLN 94 Ca 0.48 -1.63 -0.03 0.00 0.05 0.00 0.00 55.36 54.23 2e5s s GLN 94 Cb 0.26 -3.57 -0.11 0.00 1.10 0.00 0.00 33.01 30.69 2e5s s GLN 94 CO -0.05 -0.97 2.70 0.00 -0.55 0.00 0.00 175.29 176.43 2e5s n ALA 95 N 4.69 5.05 0.08 1.58 0.00 -1.26 -4.28 120.51 126.37 2e5s n ALA 95 Ca -0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.46 2e5s n ALA 95 Cb 0.42 -1.58 0.01 0.00 0.00 0.00 0.00 19.45 18.30 2e5s n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ALA 96 N 1.88 0.56 0.00 0.00 0.00 -1.97 -3.39 119.26 116.33 2e5s h ALA 96 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2e5s h ALA 96 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2e5s h ALA 96 CO 0.11 0.84 -0.94 1.33 0.00 0.00 0.00 179.25 180.59 2e5s n VAL 97 N -3.74 0.00 -0.92 0.00 0.24 -1.26 -5.30 118.33 107.34 2e5s n VAL 97 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2e5s n VAL 97 Cb 0.76 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69