#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 4.07 0.27 1.61 0.01 -1.26 -5.10 113.70 113.31 2e5s s SER 2 Ca 0.00 -1.22 -0.15 0.00 1.31 0.00 0.00 55.95 55.89 2e5s s SER 2 Cb 0.00 -1.42 0.01 0.00 0.21 0.00 0.00 66.02 64.82 2e5s s SER 2 CO 0.00 -0.18 0.58 -0.44 0.41 0.00 0.00 173.24 173.61 2e5s s SER 3 N 1.22 -0.07 0.32 2.44 0.01 -1.26 -5.19 113.70 111.17 2e5s s SER 3 Ca -0.06 -0.88 0.06 0.00 1.31 0.00 0.00 55.95 56.37 2e5s s SER 3 Cb -0.19 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 2e5s s SER 3 CO -0.06 -1.26 0.25 -0.83 0.41 0.00 0.00 173.24 171.74 2e5s s GLY 4 N -3.01 2.24 -0.30 3.44 0.00 -1.26 -5.15 107.32 103.29 2e5s s GLY 4 Ca 0.19 -1.96 -0.05 0.00 0.00 0.00 0.00 44.72 42.89 2e5s s GLY 4 CO 0.09 -1.49 0.82 -0.45 0.00 0.00 0.00 173.10 172.07 2e5s s SER 5 N -3.36 -0.97 -0.19 1.64 0.15 -1.26 -5.15 113.70 104.56 2e5s s SER 5 Ca 0.39 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.39 2e5s s SER 5 Cb 0.03 1.74 0.08 0.00 -1.71 0.00 0.00 66.02 66.16 2e5s s SER 5 CO 0.25 -0.18 0.40 -0.55 1.20 0.00 0.00 173.24 174.35 2e5s s SER 6 N 2.90 -0.20 0.00 5.45 0.15 -1.26 -5.06 113.70 115.68 2e5s s SER 6 Ca 0.13 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2e5s s SER 6 Cb -0.10 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 2e5s s SER 6 CO -0.19 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2e5s n GLY 7 N 5.26 -0.74 3.34 9.45 0.00 -1.26 -5.13 105.19 116.11 2e5s n GLY 7 Ca -0.10 0.28 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 2.05 -0.22 1.61 1.04 -1.26 -5.08 113.70 107.84 2e5s s SER 8 Ca 0.00 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.19 2e5s s SER 8 Cb 0.00 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 65.97 2e5s s SER 8 CO 0.00 -0.44 -0.25 0.35 0.98 0.00 0.00 173.24 173.88 2e5s n THR 9 N -0.42 1.23 -3.54 2.02 -2.24 -1.26 -5.01 114.28 105.05 2e5s n THR 9 Ca -0.06 -0.37 -0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2e5s n THR 9 Cb 0.63 -1.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.22 2e5s n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5s s ALA 10 N -2.42 -2.03 0.42 6.98 0.00 -1.26 -5.17 121.76 118.28 2e5s s ALA 10 Ca -0.30 2.18 0.07 0.00 0.00 0.00 0.00 51.96 53.91 2e5s s ALA 10 Cb 0.10 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2e5s s ALA 10 CO 0.43 -1.01 0.26 0.95 0.00 0.00 0.00 175.76 176.39 2e5s s THR 11 N 2.87 2.41 -0.19 0.00 -4.23 -1.26 -5.04 115.64 110.20 2e5s s THR 11 Ca 0.00 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 58.66 2e5s s THR 11 Cb -0.13 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.68 2e5s s THR 11 CO -0.19 0.00 2.16 1.67 -0.54 0.00 0.00 174.62 177.72 2e5s n GLN 12 N -1.38 2.01 -4.15 3.99 7.27 -1.26 -4.96 117.38 118.91 2e5s n GLN 12 Ca 0.01 0.60 -0.22 0.00 0.07 0.00 0.00 57.00 57.46 2e5s n GLN 12 Cb 0.63 -3.07 -0.05 0.00 2.41 0.00 0.00 30.24 30.17 2e5s n GLN 12 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2e5s s LYS 13 N 5.90 2.72 -0.30 3.69 1.02 -1.26 -5.11 119.74 126.40 2e5s s LYS 13 Ca 1.00 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 55.74 2e5s s LYS 13 Cb -0.44 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2e5s s LYS 13 CO 0.39 0.36 0.06 -1.17 -0.92 0.00 0.00 175.35 174.08 2e5s s LEU 14 N -3.81 3.93 -0.01 3.17 2.96 -1.26 -4.96 118.68 118.70 2e5s s LEU 14 Ca 0.33 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 2e5s s LEU 14 Cb -0.07 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 2e5s s LEU 14 CO 0.24 -0.24 -0.04 0.18 -1.32 0.00 0.00 176.35 175.17 2e5s n LEU 15 N 4.80 0.33 -4.69 -0.68 4.77 -1.26 -4.98 117.00 115.30 2e5s n LEU 15 Ca -0.14 0.05 -0.50 0.00 -0.03 0.00 0.00 56.01 55.39 2e5s n LEU 15 Cb 0.46 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2e5s n LEU 15 CO 0.30 -0.50 1.46 0.54 -1.33 0.00 0.00 177.39 177.86 2e5s n ARG 16 N -2.82 1.99 -1.35 3.23 5.12 -1.26 -4.86 116.66 116.71 2e5s n ARG 16 Ca -0.02 0.73 -0.20 0.00 -1.93 0.00 0.00 57.85 56.43 2e5s n ARG 16 Cb 0.06 -2.55 0.11 0.00 -1.16 0.00 0.00 32.46 28.93 2e5s n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2e5s n THR 17 N 5.04 2.89 -1.24 0.55 5.66 -1.26 -4.71 114.28 121.21 2e5s n THR 17 Ca 0.23 -3.17 -0.29 0.00 -3.05 0.00 0.00 64.05 57.77 2e5s n THR 17 Cb 0.26 -0.80 0.06 0.00 -1.55 0.00 0.00 70.33 68.30 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 -0.95 7.28 -3.68 1.09 5.68 -1.26 -4.85 116.55 119.86 2e5s n ASP 18 Ca 0.47 -3.55 -0.17 0.00 -0.50 0.00 0.00 54.79 51.04 2e5s n ASP 18 Cb 0.97 -1.02 -0.16 0.00 -1.14 0.00 0.00 41.12 39.77 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 -3.14 0.00 -0.11 0.11 1.02 -1.26 -0.05 119.74 116.30 2e5s s LYS 19 Ca 0.53 0.48 -0.05 0.00 0.02 0.00 0.00 55.97 56.96 2e5s s LYS 19 Cb 0.42 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2e5s s LYS 19 CO -0.04 -0.29 0.07 -0.51 -0.92 0.00 0.00 175.35 173.65 2e5s s LEU 20 N 2.11 3.95 -0.32 3.17 1.43 0.36 -4.93 118.68 124.44 2e5s s LEU 20 Ca 0.02 0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 2e5s s LEU 20 Cb -0.12 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.17 2e5s s LEU 20 CO -0.05 0.36 0.92 -1.61 0.23 0.00 0.00 176.35 176.20 2e5s s GLU 21 N -0.76 3.98 0.14 1.70 2.02 -1.26 -1.02 118.70 123.50 2e5s s GLU 21 Ca 0.13 0.77 -0.31 0.00 0.02 0.00 0.00 54.97 55.58 2e5s s GLU 21 Cb -0.12 -3.74 -0.08 0.00 0.10 0.00 0.00 34.13 30.29 2e5s s GLU 21 CO 0.03 -0.81 1.34 0.08 0.02 0.00 0.00 175.26 175.92 2e5s s VAL 22 N 3.30 3.32 0.57 2.63 1.01 -1.14 -2.86 120.40 127.25 2e5s s VAL 22 Ca 0.38 1.00 -0.20 0.00 0.00 0.00 0.00 61.98 63.17 2e5s s VAL 22 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2e5s s VAL 22 CO 0.15 0.11 1.28 0.00 0.00 0.00 0.00 175.10 176.63 2e5s n ARG 24 N -1.33 0.70 0.24 0.00 5.12 -1.26 -4.17 116.66 115.97 2e5s n ARG 24 Ca 0.12 0.24 -0.13 0.00 -1.93 0.00 0.00 57.85 56.15 2e5s n ARG 24 Cb 0.47 -1.70 -0.07 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.03 -0.62 -0.99 5.56 5.08 -1.97 -3.16 114.58 118.52 2e5s h GLU 25 Ca -0.40 0.04 0.33 0.00 -1.00 0.00 0.00 59.36 58.33 2e5s h GLU 25 Cb 2.03 0.14 -0.18 0.00 0.50 0.00 0.00 28.75 31.24 2e5s h GLU 25 CO 0.06 -0.32 0.27 0.35 -1.00 0.00 0.00 179.01 178.38 2e5s h PHE 26 N -0.99 0.38 -0.78 4.33 3.04 -1.88 0.42 116.94 121.45 2e5s h PHE 26 Ca -0.07 0.06 0.15 0.00 3.98 0.00 0.00 57.97 62.09 2e5s h PHE 26 Cb 0.59 0.00 -0.15 0.00 2.56 0.00 0.00 35.95 38.95 2e5s h PHE 26 CO 0.01 -0.42 -0.23 1.96 -2.02 0.00 0.00 178.31 177.61 2e5s h GLN 27 N 0.03 -0.02 0.00 1.11 4.20 -1.71 0.18 115.11 118.91 2e5s h GLN 27 Ca 0.70 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.41 2e5s h GLN 27 Cb 1.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 2e5s h GLN 27 CO -0.83 -0.01 -0.83 0.07 -0.67 0.00 0.00 178.83 176.56 2e5s h ARG 28 N -0.02 0.00 -0.59 1.46 -0.00 -0.48 -3.48 114.38 111.26 2e5s h ARG 28 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.34 2e5s h ARG 28 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 2e5s h ARG 28 CO -0.81 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 179.57 2e5s n GLY 29 N 1.20 0.68 0.00 0.08 0.00 0.80 -5.04 105.19 102.90 2e5s n GLY 29 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.30 3.90 -4.52 1.61 2.85 -1.05 -4.95 115.26 112.81 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 0.12 0.29 -0.07 0.00 1.24 0.00 0.00 39.78 41.35 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 13.06 2.84 -0.02 0.00 0.00 -1.26 -3.36 120.51 131.78 2e5s n ALA 32 Ca 0.47 -0.47 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2e5s n ALA 32 Cb 0.33 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2e5s n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2e5s n ARG 33 N 0.15 1.32 -1.40 0.00 1.74 -1.26 -5.04 116.66 112.17 2e5s n ARG 33 Ca 0.07 -0.04 0.17 0.00 -0.77 0.00 0.00 57.85 57.28 2e5s n ARG 33 Cb 0.49 -1.19 -0.07 0.00 -1.02 0.00 0.00 32.46 30.66 2e5s n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2e5s n GLY 34 N 2.25 -2.61 0.00 -0.13 0.00 -1.21 -0.62 105.19 102.86 2e5s n GLY 34 Ca -0.06 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.20 0.09 -0.06 1.61 0.28 -1.26 0.64 120.64 117.74 2e5s n GLU 35 Ca -0.05 0.23 -0.20 0.00 -0.16 0.00 0.00 57.16 56.98 2e5s n GLU 35 Cb 0.67 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.91 2e5s n GLU 35 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2e5s h THR 36 N 0.00 1.09 -0.28 3.84 1.35 -1.93 -3.38 112.91 113.61 2e5s h THR 36 Ca 0.00 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 2e5s h THR 36 Cb 0.06 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2e5s h THR 36 CO 0.00 0.49 0.00 -0.67 -0.25 0.00 0.00 175.52 175.09 2e5s n ASP 37 N -4.29 3.11 -4.57 5.36 2.03 0.20 -4.94 116.55 113.45 2e5s n ASP 37 Ca -0.26 -1.91 -0.34 0.00 0.52 0.00 0.00 54.79 52.80 2e5s n ASP 37 Cb 0.72 -0.18 -0.11 0.00 -0.72 0.00 0.00 41.12 40.83 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 5.36 0.00 -6.37 0.00 3.08 -1.89 -3.43 114.38 111.14 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 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 2e5s h ARG 39 CO 0.53 0.41 0.16 -0.06 -1.07 0.00 0.00 179.97 179.94 2e5s s PHE 40 N -3.31 3.79 0.32 3.04 0.08 -1.26 -4.91 117.98 115.73 2e5s s PHE 40 Ca 0.02 1.52 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 2e5s s PHE 40 Cb 0.09 -2.79 -0.10 0.00 -0.57 0.00 0.00 43.02 39.65 2e5s s PHE 40 CO 0.71 0.36 1.20 0.00 -0.10 0.00 0.00 175.22 177.39 2e5s s ALA 41 N -0.44 3.41 -0.45 5.36 0.00 -1.13 -4.65 121.76 123.86 2e5s s ALA 41 Ca 0.37 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2e5s s ALA 41 Cb -0.21 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 19.62 2e5s s ALA 41 CO 0.24 -0.43 0.29 -1.01 0.00 0.00 0.00 175.76 174.85 2e5s s HIS 42 N -1.19 3.47 -1.04 0.00 3.76 -1.26 -2.41 115.29 116.62 2e5s s HIS 42 Ca 0.48 -2.01 -0.24 0.00 -0.15 0.00 0.00 55.06 53.15 2e5s s HIS 42 Cb -0.35 -3.36 -0.07 0.00 1.11 0.00 0.00 32.58 29.91 2e5s s HIS 42 CO 0.46 -0.98 1.94 -1.25 -0.85 0.00 0.00 174.74 174.07 2e5s s PRO 43 N 1.30 2.52 -0.16 8.40 0.04 -1.26 -4.58 135.00 141.25 2e5s s PRO 43 Ca 0.06 -0.72 -0.01 0.00 0.04 0.00 0.00 61.00 60.37 2e5s s PRO 43 Cb -0.25 -5.15 -0.10 0.00 0.04 0.00 0.00 34.50 29.04 2e5s s PRO 43 CO -0.02 -3.69 -0.16 0.00 0.04 0.00 0.00 177.00 173.18 2e5s n ALA 44 N 14.22 1.71 -0.29 8.56 0.00 -1.26 -4.62 120.51 138.83 2e5s n ALA 44 Ca 0.42 -0.68 0.05 0.00 0.00 0.00 0.00 53.44 53.24 2e5s n ALA 44 Cb 0.47 0.16 0.15 0.00 0.00 0.00 0.00 19.45 20.23 2e5s n ALA 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2e5s h ASP 45 N -0.12 -0.63 -5.32 0.00 3.58 -2.02 -3.44 116.42 108.47 2e5s h ASP 45 Ca -0.37 0.24 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 2e5s h ASP 45 Cb 1.51 0.47 -0.07 0.00 1.72 0.00 0.00 39.33 42.96 2e5s h ASP 45 CO -0.10 -0.26 -0.09 -0.44 -2.88 0.00 0.00 179.24 175.47 2e5s s SER 46 N -5.20 0.31 0.00 2.28 0.01 -1.26 -5.03 113.70 104.81 2e5s s SER 46 Ca -0.14 -1.18 -0.03 0.00 1.31 0.00 0.00 55.95 55.90 2e5s s SER 46 Cb 0.24 0.65 -0.16 0.00 0.21 0.00 0.00 66.02 66.97 2e5s s SER 46 CO 0.76 -1.28 2.83 0.41 0.41 0.00 0.00 173.24 176.37 2e5s n THR 47 N -0.47 2.44 -2.80 1.44 -1.04 -1.26 -4.77 114.28 107.82 2e5s n THR 47 Ca -0.02 -1.05 -0.44 0.00 -2.04 0.00 0.00 64.05 60.51 2e5s n THR 47 Cb 0.61 -1.78 -0.00 0.00 -1.82 0.00 0.00 70.33 67.35 2e5s n THR 47 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2e5s s MET 48 N 0.77 4.03 -0.00 -2.82 -1.94 -1.26 -4.94 119.30 113.14 2e5s s MET 48 Ca 0.39 -2.30 0.01 0.00 -1.71 0.00 0.00 55.69 52.08 2e5s s MET 48 Cb 0.19 -5.25 -0.00 0.00 2.01 0.00 0.00 34.83 31.77 2e5s s MET 48 CO 0.00 -1.97 -0.04 0.42 -0.01 0.00 0.00 175.02 173.43 2e5s s ILE 49 N 2.71 0.29 -0.43 2.53 1.01 -1.26 -4.85 121.20 121.20 2e5s s ILE 49 Ca 0.47 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.71 2e5s s ILE 49 Cb -0.00 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.24 2e5s s ILE 49 CO 0.03 0.07 0.81 -1.81 0.00 0.00 0.00 174.94 174.03 2e5s s ASP 50 N -0.12 6.46 0.00 3.58 1.11 -0.74 -4.89 116.67 122.07 2e5s s ASP 50 Ca 0.01 0.05 0.16 0.00 0.18 0.00 0.00 52.55 52.95 2e5s s ASP 50 Cb -0.02 -2.40 0.95 0.00 1.07 0.00 0.00 42.92 42.53 2e5s s ASP 50 CO -0.00 -0.89 1.36 0.35 1.18 0.00 0.00 175.17 177.17 2e5s n THR 51 N 6.09 0.00 -0.11 -1.27 -2.24 -1.26 0.16 114.28 115.65 2e5s n THR 51 Ca 0.03 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 2e5s n THR 51 Cb 0.48 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 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 1.89 -0.55 3.42 2.88 -1.26 -4.64 113.62 114.35 2e5s n SER 52 Ca 0.12 0.41 0.06 0.00 -1.33 0.00 0.00 58.87 58.13 2e5s n SER 52 Cb 0.05 -0.91 0.11 0.00 -0.75 0.00 0.00 64.21 62.72 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 -4.40 1.48 -3.22 -3.46 9.92 -1.16 -4.98 116.55 110.73 2e5s n ASP 53 Ca -0.36 -2.94 -0.20 0.00 -0.53 0.00 0.00 54.79 50.76 2e5s n ASP 53 Cb 0.69 -0.39 -0.04 0.00 -0.64 0.00 0.00 41.12 40.74 2e5s n ASP 53 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2e5s n ASN 54 N -0.74 -1.23 -4.63 -2.24 6.94 0.41 -4.86 115.26 108.92 2e5s n ASN 54 Ca 0.12 -0.39 -0.29 0.00 -0.02 0.00 0.00 54.58 54.00 2e5s n ASN 54 Cb 0.75 -1.12 -0.10 0.00 -2.36 0.00 0.00 39.78 36.96 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 -2.35 1.55 0.05 5.53 -4.23 -1.23 -2.88 115.64 112.08 2e5s s THR 55 Ca 0.39 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.94 2e5s s THR 55 Cb -0.23 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2e5s s THR 55 CO 0.48 0.00 -0.12 0.68 -0.54 0.00 0.00 174.62 175.12 2e5s s VAL 56 N -2.84 0.92 0.59 2.29 -7.23 -0.19 -1.79 120.40 112.14 2e5s s VAL 56 Ca 0.24 -1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2e5s s VAL 56 Cb 0.06 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2e5s s VAL 56 CO 0.12 -0.20 1.02 -0.89 -0.31 0.00 0.00 175.10 174.84 2e5s s THR 57 N -1.15 4.37 -0.05 5.32 2.01 -1.26 -0.49 115.64 124.38 2e5s s THR 57 Ca -0.03 0.97 0.05 0.00 0.31 0.00 0.00 61.69 62.99 2e5s s THR 57 Cb -0.09 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 2e5s s THR 57 CO 0.01 -0.81 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.24 2e5s s VAL 58 N -2.81 2.46 -0.78 3.82 1.01 0.92 -2.13 120.40 122.89 2e5s s VAL 58 Ca 0.59 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 2e5s s VAL 58 Cb -0.12 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.38 2e5s s VAL 58 CO 0.42 0.58 1.28 0.00 0.00 0.00 0.00 175.10 177.38 2e5s h MET 60 N 9.95 -0.32 -0.04 0.00 4.05 -1.95 -2.44 114.93 124.19 2e5s h MET 60 Ca -0.21 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.25 2e5s h MET 60 Cb 1.05 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.87 2e5s h MET 60 CO 1.29 -0.21 -0.46 -0.44 0.23 0.00 0.00 176.91 177.32 2e5s h ASP 61 N -0.33 -1.44 -0.96 1.39 3.32 -1.90 -1.63 116.42 114.87 2e5s h ASP 61 Ca 0.13 0.16 0.23 0.00 0.02 0.00 0.00 57.03 57.57 2e5s h ASP 61 Cb 0.54 0.55 -0.18 0.00 0.22 0.00 0.00 39.33 40.46 2e5s h ASP 61 CO -0.44 -0.44 -0.12 0.00 -1.72 0.00 0.00 179.24 176.52 2e5s n TYR 62 N -5.01 0.47 -0.31 4.55 9.36 -1.00 0.19 117.16 125.40 2e5s n TYR 62 Ca -0.06 1.17 0.09 0.00 3.32 0.00 0.00 57.90 62.41 2e5s n TYR 62 Cb 0.33 -1.13 0.30 0.00 -0.63 0.00 0.00 39.34 38.21 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 0.91 0.00 2.97 1.08 -0.85 0.15 117.51 121.77 2e5s h ILE 63 Ca 0.52 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 64.66 2e5s h ILE 63 Cb 0.93 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 2e5s h ILE 63 CO -0.95 0.16 -0.12 0.11 -0.69 0.00 0.00 178.15 176.66 2e5s h LYS 64 N 0.87 0.00 0.00 2.37 1.79 0.23 -3.46 116.57 118.38 2e5s h LYS 64 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 2e5s h LYS 64 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2e5s h LYS 64 CO -0.22 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.68 2e5s n GLY 65 N -0.85 2.08 2.87 3.86 0.00 0.52 -5.07 105.19 108.60 2e5s n GLY 65 Ca -0.02 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 0.00 1.25 -0.54 1.61 1.70 -1.24 -4.96 118.95 116.77 2e5s s ARG 66 Ca 0.00 -0.98 -0.07 0.00 -0.47 0.00 0.00 55.73 54.20 2e5s s ARG 66 Cb 0.00 -2.44 0.14 0.00 -0.57 0.00 0.00 34.95 32.08 2e5s s ARG 66 CO 0.00 -0.71 0.40 0.00 -1.08 0.00 0.00 175.30 173.90 2e5s n MET 68 N 4.44 1.06 -1.71 0.00 0.00 -1.26 -4.94 117.12 114.71 2e5s n MET 68 Ca -0.01 -2.75 -0.43 0.00 0.00 0.00 0.00 57.70 54.51 2e5s n MET 68 Cb 0.41 -1.13 -0.03 0.00 0.00 0.00 0.00 33.22 32.47 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 -0.69 2.51 -1.54 2.12 1.74 -1.26 -4.77 116.66 114.76 2e5s n ARG 69 Ca 0.14 0.90 -0.20 0.00 -0.77 0.00 0.00 57.85 57.92 2e5s n ARG 69 Cb 0.80 -2.67 -0.11 0.00 -1.02 0.00 0.00 32.46 29.45 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 2.85 0.44 -2.38 5.56 2.13 -1.26 -1.10 120.64 126.88 2e5s n GLU 70 Ca 0.13 -0.48 -0.04 0.00 0.66 0.00 0.00 57.16 57.43 2e5s n GLU 70 Cb 0.34 -2.82 0.02 0.00 0.27 0.00 0.00 31.44 29.25 2e5s n GLU 70 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2e5s n LYS 71 N 7.94 -1.68 -1.52 5.31 4.81 -1.26 -4.92 118.16 126.83 2e5s n LYS 71 Ca 0.53 0.21 -0.57 0.00 -0.87 0.00 0.00 58.31 57.61 2e5s n LYS 71 Cb 0.34 -3.34 -0.07 0.00 0.02 0.00 0.00 35.03 31.98 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2e5s n LYS 73 N 1.77 2.21 -4.35 0.00 2.85 -1.26 -5.08 118.16 114.29 2e5s n LYS 73 Ca 0.19 -3.71 -0.20 0.00 -1.05 0.00 0.00 58.31 53.54 2e5s n LYS 73 Cb 0.12 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 32.65 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2e5s s TYR 74 N -3.58 1.79 0.34 5.58 2.02 -1.26 -5.00 117.35 117.24 2e5s s TYR 74 Ca 0.35 -0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 56.26 2e5s s TYR 74 Cb 0.38 -0.84 -0.09 0.00 -0.40 0.00 0.00 41.96 41.00 2e5s s TYR 74 CO -0.02 0.38 1.04 0.12 -1.57 0.00 0.00 175.55 175.50 2e5s s PHE 75 N -2.65 3.49 -0.34 2.71 5.36 -0.91 -4.76 117.98 120.89 2e5s s PHE 75 Ca 0.21 1.71 -0.04 0.00 -0.96 0.00 0.00 56.93 57.84 2e5s s PHE 75 Cb -0.03 -3.12 0.05 0.00 -0.34 0.00 0.00 43.02 39.58 2e5s s PHE 75 CO 0.07 -0.37 0.08 -1.01 -1.46 0.00 0.00 175.22 172.54 2e5s s HIS 76 N -1.48 3.30 0.88 10.12 3.76 -1.26 -2.91 115.29 127.70 2e5s s HIS 76 Ca 0.51 -1.70 -0.11 0.00 -0.15 0.00 0.00 55.06 53.61 2e5s s HIS 76 Cb -0.24 -2.35 0.12 0.00 1.11 0.00 0.00 32.58 31.21 2e5s s HIS 76 CO 0.31 -0.79 1.09 -1.25 -0.85 0.00 0.00 174.74 173.25 2e5s s PRO 77 N 1.32 1.41 1.19 8.40 0.04 -1.26 -5.05 135.00 141.05 2e5s s PRO 77 Ca -0.02 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 2e5s s PRO 77 Cb -0.20 -1.82 0.30 0.00 0.04 0.00 0.00 34.50 32.81 2e5s s PRO 77 CO 0.01 -2.15 1.05 -0.35 0.04 0.00 0.00 177.00 175.60 2e5s n PRO 78 N -3.83 -3.08 0.29 0.56 -0.04 -1.26 -4.61 135.00 123.03 2e5s n PRO 78 Ca 0.07 -1.69 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 2e5s n PRO 78 Cb 0.55 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.20 -0.81 0.55 0.00 -1.97 0.31 119.26 113.42 2e5s h ALA 79 Ca -0.40 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.46 2e5s h ALA 79 Cb 1.21 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 19.17 2e5s h ALA 79 CO 0.26 -1.14 -0.47 1.12 0.00 0.00 0.00 179.25 179.02 2e5s h HIS 80 N -0.74 -1.40 0.64 0.00 -0.00 -1.97 -1.41 115.15 110.27 2e5s h HIS 80 Ca -0.08 0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 2e5s h HIS 80 Cb 0.57 0.72 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2e5s h HIS 80 CO 0.10 -0.41 -0.35 -0.07 -0.00 0.00 0.00 177.93 177.21 2e5s h LEU 81 N -0.11 -0.85 -0.74 6.12 3.38 -1.92 -2.54 115.31 118.65 2e5s h LEU 81 Ca 0.22 0.04 0.31 0.00 0.09 0.00 0.00 57.88 58.54 2e5s h LEU 81 Cb 0.53 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 2e5s h LEU 81 CO -0.84 -0.57 0.41 0.00 0.09 0.00 0.00 178.44 177.53 2e5s n GLN 82 N -5.50 -0.04 -0.02 1.13 6.02 0.11 0.14 117.38 119.23 2e5s n GLN 82 Ca -0.13 1.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.73 2e5s n GLN 82 Cb 0.38 -1.80 -0.10 0.00 1.02 0.00 0.00 30.24 29.74 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 1.44 -0.03 -1.00 -1.58 0.00 -1.01 -3.00 119.26 114.07 2e5s h ALA 83 Ca 0.62 -0.30 0.39 0.00 0.00 0.00 0.00 54.91 55.62 2e5s h ALA 83 Cb 1.66 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 19.28 2e5s h ALA 83 CO -0.55 -0.21 0.43 0.87 0.00 0.00 0.00 179.25 179.80 2e5s h LYS 84 N -0.66 0.00 -0.02 0.00 1.57 0.16 0.43 116.57 118.05 2e5s h LYS 84 Ca -0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2e5s h LYS 84 Cb 0.61 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2e5s h LYS 84 CO 0.01 0.00 -0.04 0.82 -0.57 0.00 0.00 179.45 179.66 2e5s h ILE 85 N 0.00 1.46 -0.82 1.86 5.03 -1.50 -3.26 117.51 120.29 2e5s h ILE 85 Ca 0.80 -1.41 0.20 0.00 -0.12 0.00 0.00 64.86 64.33 2e5s h ILE 85 Cb 2.04 2.36 -0.14 0.00 -3.03 0.00 0.00 36.82 38.05 2e5s h ILE 85 CO -0.80 0.37 0.13 0.11 -0.68 0.00 0.00 178.15 177.28 2e5s h LYS 86 N -0.50 0.16 -0.89 2.37 1.57 -0.03 -0.69 116.57 118.56 2e5s h LYS 86 Ca -0.00 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2e5s h LYS 86 Cb 0.63 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.76 2e5s h LYS 86 CO 0.01 0.11 -0.39 0.00 -0.57 0.00 0.00 179.45 178.61 2e5s h ALA 87 N 1.74 0.06 0.54 3.86 0.00 -1.34 0.21 119.26 124.34 2e5s h ALA 87 Ca 0.48 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 2e5s h ALA 87 Cb 0.91 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2e5s h ALA 87 CO -0.65 -0.66 -0.51 0.00 0.00 0.00 0.00 179.25 177.43 2e5s h ALA 88 N 1.22 -1.17 -0.84 0.00 0.00 -1.26 -2.54 119.26 114.67 2e5s h ALA 88 Ca 0.31 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.21 2e5s h ALA 88 Cb 0.58 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 2e5s h ALA 88 CO -0.91 -1.19 0.30 1.96 0.00 0.00 0.00 179.25 179.41 2e5s h GLN 89 N -1.04 0.33 -7.23 0.00 1.08 -1.12 -3.41 115.11 103.73 2e5s h GLN 89 Ca -0.07 -0.02 -0.49 0.00 -1.45 0.00 0.00 58.65 56.62 2e5s h GLN 89 Cb 0.89 -0.08 0.05 0.00 -0.05 0.00 0.00 27.48 28.30 2e5s h GLN 89 CO -0.04 0.22 0.38 -1.01 -0.95 0.00 0.00 178.83 177.43 2e5s s HIS 90 N -5.95 3.24 -0.82 2.96 3.76 0.63 -4.99 115.29 114.13 2e5s s HIS 90 Ca -0.12 1.46 -0.19 0.00 -0.15 0.00 0.00 55.06 56.07 2e5s s HIS 90 Cb 0.24 -2.88 0.13 0.00 1.11 0.00 0.00 32.58 31.17 2e5s s HIS 90 CO 0.77 -0.80 0.98 -0.65 -0.85 0.00 0.00 174.74 174.19 2e5s s GLN 91 N -4.28 3.43 0.29 1.40 -0.21 -1.26 -4.86 119.66 114.17 2e5s s GLN 91 Ca 0.60 -1.64 0.04 0.00 0.02 0.00 0.00 55.36 54.38 2e5s s GLN 91 Cb -0.13 -4.63 -0.03 0.00 1.00 0.00 0.00 33.01 29.21 2e5s s GLN 91 CO 0.38 -1.67 0.22 0.00 -2.12 0.00 0.00 175.29 172.10 2e5s s ALA 92 N 2.54 1.72 -0.72 6.09 0.00 -1.26 -5.06 121.76 125.06 2e5s s ALA 92 Ca 0.25 -1.90 -0.34 0.00 0.00 0.00 0.00 51.96 49.98 2e5s s ALA 92 Cb -0.11 1.39 -0.18 0.00 0.00 0.00 0.00 23.12 24.22 2e5s s ALA 92 CO -0.04 -0.61 2.46 0.09 0.00 0.00 0.00 175.76 177.66 2e5s n ASN 93 N -1.09 0.95 -4.68 0.00 4.13 -1.26 -4.78 115.26 108.53 2e5s n ASN 93 Ca 0.05 0.23 -0.46 0.00 1.68 0.00 0.00 54.58 56.07 2e5s n ASN 93 Cb 0.64 -1.06 -0.04 0.00 -1.54 0.00 0.00 39.78 37.78 2e5s n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2e5s n GLN 94 N 8.30 2.35 -0.99 3.52 6.02 -1.26 -4.90 117.38 130.42 2e5s n GLN 94 Ca 0.56 0.86 -0.35 0.00 -0.01 0.00 0.00 57.00 58.05 2e5s n GLN 94 Cb 0.12 -2.71 0.06 0.00 1.02 0.00 0.00 30.24 28.72 2e5s n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s n ALA 95 N 6.09 -4.10 -0.05 -1.58 0.00 -1.26 -4.95 120.51 114.66 2e5s n ALA 95 Ca 0.21 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2e5s n ALA 95 Cb 0.32 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 2e5s n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s n ALA 96 N -2.69 1.77 -2.81 0.00 0.00 -1.26 -4.99 120.51 110.51 2e5s n ALA 96 Ca 0.02 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 2e5s n ALA 96 Cb 0.54 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.06 2e5s n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2e5s s VAL 97 N -2.22 5.39 -2.00 0.00 0.11 -1.26 -5.36 120.40 115.05 2e5s s VAL 97 Ca -0.10 0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2e5s s VAL 97 Cb 0.03 -3.39 0.19 0.00 -1.53 0.00 0.00 36.38 31.69 2e5s s VAL 97 CO 0.32 0.55 0.87 0.00 -3.33 0.00 0.00 175.10 173.50