#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp3 s SER 2 N 0.00 4.19 0.08 1.61 0.15 -1.26 -5.11 113.70 113.36 2cp3 s SER 2 Ca 0.00 -1.51 0.04 0.00 0.70 0.00 0.00 55.95 55.19 2cp3 s SER 2 Cb 0.00 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 2cp3 s SER 2 CO 0.00 -0.29 -0.12 -0.44 1.20 0.00 0.00 173.24 173.59 2cp3 s SER 3 N 1.26 1.54 0.00 5.45 0.01 -1.26 -5.05 113.70 115.65 2cp3 s SER 3 Ca -0.00 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2cp3 s SER 3 Cb -0.19 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2cp3 s SER 3 CO -0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2cp3 n GLY 4 N 1.10 -2.19 3.28 3.44 0.00 -1.26 -5.11 105.19 104.45 2cp3 n GLY 4 Ca -0.20 0.76 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 2cp3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cp3 s SER 5 N 2.00 4.64 -0.14 1.61 0.01 -1.26 -5.07 113.70 115.49 2cp3 s SER 5 Ca 0.00 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 2cp3 s SER 5 Cb 0.00 -1.77 0.07 0.00 0.21 0.00 0.00 66.02 64.53 2cp3 s SER 5 CO 0.00 -0.13 0.17 -0.94 0.41 0.00 0.00 173.24 172.75 2cp3 s SER 6 N 1.42 1.24 -0.29 2.44 1.04 -1.26 -5.13 113.70 113.17 2cp3 s SER 6 Ca 0.02 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.20 2cp3 s SER 6 Cb -0.16 0.23 0.16 0.00 0.10 0.00 0.00 66.02 66.35 2cp3 s SER 6 CO -0.01 -0.29 1.19 -0.83 0.98 0.00 0.00 173.24 174.27 2cp3 s GLY 7 N 2.28 0.13 0.27 7.32 0.00 -1.26 -5.01 107.32 111.06 2cp3 s GLY 7 Ca 0.04 3.17 0.02 0.00 0.00 0.00 0.00 44.72 47.96 2cp3 s GLY 7 CO -0.09 2.09 0.08 1.04 0.00 0.00 0.00 173.10 176.22 2cp3 n LEU 8 N 2.31 0.00 0.00 0.66 4.32 -1.26 -5.10 117.00 117.93 2cp3 n LEU 8 Ca -0.13 -2.02 -0.30 0.00 -0.02 0.00 0.00 56.01 53.54 2cp3 n LEU 8 Cb 0.56 0.60 -0.06 0.00 -1.62 0.00 0.00 43.42 42.90 2cp3 n LEU 8 CO 0.02 -0.31 -0.22 0.54 -1.22 0.00 0.00 177.39 176.21 2cp3 n ARG 9 N -0.63 0.85 -3.14 3.23 1.74 -1.26 -5.05 116.66 112.41 2cp3 n ARG 9 Ca -0.05 -3.39 -0.45 0.00 -0.77 0.00 0.00 57.85 53.19 2cp3 n ARG 9 Cb 0.40 0.97 -0.01 0.00 -1.02 0.00 0.00 32.46 32.80 2cp3 n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cp3 s LEU 10 N 0.00 5.76 0.00 0.55 1.43 -1.26 -4.30 118.68 120.86 2cp3 s LEU 10 Ca 0.01 -2.99 0.00 0.00 -1.03 0.00 0.00 54.13 50.13 2cp3 s LEU 10 Cb 0.00 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2cp3 s LEU 10 CO 0.01 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.58 2cp3 n GLY 11 N 3.85 0.49 3.12 -3.19 0.00 -0.22 -4.95 105.19 104.29 2cp3 n GLY 11 Ca 0.27 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 2cp3 n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cp3 s ASP 12 N 0.00 1.33 -0.31 1.61 1.11 -1.26 -4.85 116.67 114.30 2cp3 s ASP 12 Ca 0.00 -0.55 -0.29 0.00 0.18 0.00 0.00 52.55 51.89 2cp3 s ASP 12 Cb 0.00 -0.03 0.01 0.00 1.07 0.00 0.00 42.92 43.98 2cp3 s ASP 12 CO 0.00 -0.10 1.12 -0.13 1.18 0.00 0.00 175.17 177.24 2cp3 s ARG 13 N -1.54 4.05 0.26 8.23 3.00 -1.26 -0.28 118.95 131.41 2cp3 s ARG 13 Ca -0.04 1.13 0.07 0.00 0.00 0.00 0.00 55.73 56.89 2cp3 s ARG 13 Cb -0.09 -3.76 -0.05 0.00 0.00 0.00 0.00 34.95 31.04 2cp3 s ARG 13 CO 0.01 -0.93 -0.10 0.14 0.00 0.00 0.00 175.30 174.43 2cp3 s VAL 14 N 3.77 1.74 -0.34 3.52 -7.23 0.18 -3.13 120.40 118.91 2cp3 s VAL 14 Ca 0.48 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2cp3 s VAL 14 Cb -0.13 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.54 2cp3 s VAL 14 CO 0.17 -0.40 0.10 -0.22 -0.31 0.00 0.00 175.10 174.44 2cp3 s LEU 15 N -3.41 4.40 -0.39 1.32 2.96 0.15 -1.18 118.68 122.53 2cp3 s LEU 15 Ca 0.27 -1.31 -0.19 0.00 -0.22 0.00 0.00 54.13 52.68 2cp3 s LEU 15 Cb 0.02 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2cp3 s LEU 15 CO 0.11 -0.36 0.57 -0.69 -1.32 0.00 0.00 176.35 174.66 2cp3 s VAL 16 N 1.34 4.94 0.00 1.68 1.01 -0.24 -3.10 120.40 126.02 2cp3 s VAL 16 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2cp3 s VAL 16 Cb -0.20 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2cp3 s VAL 16 CO 0.01 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.32 2cp3 n GLY 17 N 4.90 3.02 0.00 4.51 0.00 -1.26 -3.42 105.19 112.94 2cp3 n GLY 17 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2cp3 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cp3 n GLY 18 N -0.43 1.91 0.37 -0.02 0.00 -1.26 -4.93 105.19 100.83 2cp3 n GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2cp3 n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cp3 n THR 19 N -0.70 0.00 -2.38 2.61 -2.24 -1.26 -5.09 114.28 105.23 2cp3 n THR 19 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2cp3 n THR 19 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cp3 s LYS 20 N -1.32 3.40 -0.32 -0.78 1.02 -1.22 -4.94 119.74 115.59 2cp3 s LYS 20 Ca 0.00 0.64 -0.22 0.00 0.02 0.00 0.00 55.97 56.41 2cp3 s LYS 20 Cb 0.00 -4.08 -0.00 0.00 -0.52 0.00 0.00 37.83 33.23 2cp3 s LYS 20 CO 0.00 -1.80 0.73 0.95 -0.92 0.00 0.00 175.35 174.31 2cp3 s THR 21 N 5.83 4.83 0.05 2.17 -4.23 -1.26 -1.07 115.64 121.96 2cp3 s THR 21 Ca 0.56 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 62.06 2cp3 s THR 21 Cb -0.12 -4.11 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 2cp3 s THR 21 CO 0.28 -0.25 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.23 2cp3 s GLY 22 N 1.68 0.47 0.08 3.99 0.00 -0.32 -4.18 107.32 109.04 2cp3 s GLY 22 Ca 0.29 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 43.84 2cp3 s GLY 22 CO 0.13 -1.09 0.54 0.14 0.00 0.00 0.00 173.10 172.83 2cp3 s VAL 23 N -2.78 4.80 -0.01 1.40 1.01 -0.69 -0.65 120.40 123.50 2cp3 s VAL 23 Ca -0.01 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 2cp3 s VAL 23 Cb -0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2cp3 s VAL 23 CO -0.05 0.50 1.40 -0.69 0.00 0.00 0.00 175.10 176.26 2cp3 s VAL 24 N -1.17 3.74 -0.11 2.92 1.01 0.61 -0.74 120.40 126.66 2cp3 s VAL 24 Ca 0.30 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.48 2cp3 s VAL 24 Cb -0.18 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.36 2cp3 s VAL 24 CO 0.18 -0.01 0.02 0.54 0.00 0.00 0.00 175.10 175.84 2cp3 n ARG 25 N 5.42 2.13 -4.32 2.72 5.12 0.96 -1.06 116.66 127.63 2cp3 n ARG 25 Ca 0.13 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.84 2cp3 n ARG 25 Cb 0.44 -1.27 -0.13 0.00 -1.16 0.00 0.00 32.46 30.34 2cp3 n ARG 25 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2cp3 s TYR 26 N -2.26 1.41 -0.28 -1.55 5.04 -1.19 -4.87 117.35 113.66 2cp3 s TYR 26 Ca -0.06 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.18 2cp3 s TYR 26 Cb 0.03 -0.81 0.16 0.00 0.35 0.00 0.00 41.96 41.69 2cp3 s TYR 26 CO 0.42 0.08 0.42 0.08 -1.34 0.00 0.00 175.55 175.21 2cp3 s VAL 27 N -1.03 -0.66 0.00 3.14 1.01 -1.26 -2.66 120.40 118.94 2cp3 s VAL 27 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2cp3 s VAL 27 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2cp3 s VAL 27 CO 0.02 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.49 2cp3 n GLY 28 N 5.36 -0.65 3.50 4.51 0.00 -1.25 -5.04 105.19 111.63 2cp3 n GLY 28 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2cp3 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp3 s GLU 29 N -0.46 1.80 0.38 1.61 2.02 -1.26 -2.83 118.70 119.96 2cp3 s GLU 29 Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.48 2cp3 s GLU 29 Cb 0.00 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.32 2cp3 s GLU 29 CO 0.00 0.38 0.22 0.25 0.02 0.00 0.00 175.26 176.13 2cp3 n THR 30 N -0.25 0.00 -1.69 3.63 -2.24 -1.26 -4.92 114.28 107.55 2cp3 n THR 30 Ca -0.09 -1.57 0.06 0.00 -2.27 0.00 0.00 64.05 60.18 2cp3 n THR 30 Cb 0.58 -0.06 0.17 0.00 -2.10 0.00 0.00 70.33 68.92 2cp3 n THR 30 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2cp3 n ASP 31 N -1.74 1.64 0.00 3.42 2.03 -1.26 -4.74 116.55 115.90 2cp3 n ASP 31 Ca -0.04 -3.50 0.00 0.00 0.52 0.00 0.00 54.79 51.76 2cp3 n ASP 31 Cb 0.44 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2cp3 n PHE 32 N -0.89 0.00 -4.38 -0.67 1.16 -1.26 -5.04 117.46 106.37 2cp3 n PHE 32 Ca 0.16 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.50 2cp3 n PHE 32 Cb 0.75 0.15 -0.11 0.00 -1.61 0.00 0.00 39.48 38.66 2cp3 n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2cp3 s ALA 33 N -1.63 2.28 1.16 1.98 0.00 -1.26 -5.15 121.76 119.14 2cp3 s ALA 33 Ca 0.00 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 2cp3 s ALA 33 Cb 0.00 -0.25 0.28 0.00 0.00 0.00 0.00 23.12 23.15 2cp3 s ALA 33 CO 0.00 0.32 1.19 0.21 0.00 0.00 0.00 175.76 177.48 2cp3 s LYS 34 N -2.78 -0.89 1.54 0.00 2.47 -1.26 -4.53 119.74 114.29 2cp3 s LYS 34 Ca 0.19 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 2cp3 s LYS 34 Cb -0.07 -1.65 0.00 0.00 -1.46 0.00 0.00 37.83 34.65 2cp3 s LYS 34 CO 0.08 -3.46 0.00 0.41 0.16 0.00 0.00 175.35 172.55 2cp3 n GLY 35 N -1.85 -1.41 3.52 5.54 0.00 -1.26 -4.77 105.19 104.96 2cp3 n GLY 35 Ca 0.15 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2cp3 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp3 s GLU 36 N -0.10 3.75 -0.06 1.61 8.01 -1.26 -4.48 118.70 126.17 2cp3 s GLU 36 Ca 0.00 -0.46 0.02 0.00 0.01 0.00 0.00 54.97 54.54 2cp3 s GLU 36 Cb 0.00 -3.09 -0.03 0.00 -4.31 0.00 0.00 34.13 26.70 2cp3 s GLU 36 CO 0.00 0.15 -0.11 -1.58 0.01 0.00 0.00 175.26 173.73 2cp3 s TRP 37 N 0.67 2.82 -0.15 1.61 0.52 -1.13 -0.57 118.94 122.71 2cp3 s TRP 37 Ca 0.01 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.03 2cp3 s TRP 37 Cb -0.14 -1.69 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 2cp3 s TRP 37 CO 0.02 0.22 -0.19 0.00 0.02 0.00 0.00 176.95 177.03 2cp3 s GLY 39 N 0.81 1.95 -0.22 0.00 0.00 -1.09 -2.48 107.32 106.29 2cp3 s GLY 39 Ca -0.06 0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 2cp3 s GLY 39 CO -0.01 1.99 -0.05 0.14 0.00 0.00 0.00 173.10 175.18 2cp3 s VAL 40 N 2.67 3.33 -0.35 1.40 1.01 -0.69 -0.02 120.40 127.75 2cp3 s VAL 40 Ca 0.43 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 2cp3 s VAL 40 Cb -0.16 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2cp3 s VAL 40 CO 0.10 0.41 0.61 -0.70 0.00 0.00 0.00 175.10 175.52 2cp3 s GLU 41 N 1.47 3.70 0.43 2.72 -6.30 0.08 0.38 118.70 121.17 2cp3 s GLU 41 Ca 0.06 0.04 -0.15 0.00 -2.50 0.00 0.00 54.97 52.42 2cp3 s GLU 41 Cb -0.14 -3.80 -0.08 0.00 0.00 0.00 0.00 34.13 30.11 2cp3 s GLU 41 CO -0.04 -0.69 0.86 -0.51 0.02 0.00 0.00 175.26 174.90 2cp3 s LEU 42 N 2.62 3.83 0.09 2.70 1.43 -0.19 -1.70 118.68 127.47 2cp3 s LEU 42 Ca 0.23 1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 54.63 2cp3 s LEU 42 Cb -0.15 -4.26 -0.19 0.00 0.03 0.00 0.00 46.19 41.62 2cp3 s LEU 42 CO 0.14 -0.41 1.21 0.44 0.23 0.00 0.00 176.35 177.96 2cp3 h ASP 43 N 1.46 0.69 -3.03 2.29 3.32 -1.88 -3.45 116.42 115.82 2cp3 h ASP 43 Ca -0.47 -0.59 -0.65 0.00 0.02 0.00 0.00 57.03 55.34 2cp3 h ASP 43 Cb 1.18 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 2cp3 h ASP 43 CO 0.63 1.40 -0.55 -1.61 -1.72 0.00 0.00 179.24 177.39 2cp3 s GLU 44 N -3.14 3.15 -0.83 3.56 0.41 -1.26 -5.00 118.70 115.59 2cp3 s GLU 44 Ca -0.07 -0.46 -0.21 0.00 -0.41 0.00 0.00 54.97 53.82 2cp3 s GLU 44 Cb 0.07 -2.91 -0.19 0.00 -1.78 0.00 0.00 34.13 29.32 2cp3 s GLU 44 CO 0.90 0.65 2.21 -2.30 -0.49 0.00 0.00 175.26 176.23 2cp3 n PRO 45 N 1.07 0.32 -1.62 0.39 -0.02 -1.26 -4.54 135.00 129.33 2cp3 n PRO 45 Ca -0.12 -0.80 0.04 0.00 -2.02 0.00 0.00 63.50 60.60 2cp3 n PRO 45 Cb 0.53 -3.04 0.03 0.00 -0.02 0.00 0.00 33.50 30.99 2cp3 n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2cp3 n LEU 46 N 15.49 1.09 -4.29 2.45 4.77 -1.26 -5.02 117.00 130.23 2cp3 n LEU 46 Ca 0.47 -2.14 -0.16 0.00 -0.03 0.00 0.00 56.01 54.15 2cp3 n LEU 46 Cb 0.39 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2cp3 n LEU 46 CO 0.66 0.57 -0.38 -0.83 -1.33 0.00 0.00 177.39 176.08 2cp3 s GLY 47 N -2.21 1.29 -0.08 -0.72 0.00 -1.26 -4.95 107.32 99.39 2cp3 s GLY 47 Ca 0.33 -1.61 0.10 0.00 0.00 0.00 0.00 44.72 43.54 2cp3 s GLY 47 CO -0.15 -1.63 0.10 0.58 0.00 0.00 0.00 173.10 171.99 2cp3 n LYS 48 N -0.30 1.72 -2.76 2.90 2.85 -1.25 -4.12 118.16 117.20 2cp3 n LYS 48 Ca -0.08 -0.03 -0.21 0.00 -1.05 0.00 0.00 58.31 56.94 2cp3 n LYS 48 Cb 0.62 -1.28 0.05 0.00 -0.65 0.00 0.00 35.03 33.77 2cp3 n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2cp3 s ASN 49 N -4.10 5.13 -0.09 -5.58 0.01 -1.18 -4.57 114.94 104.56 2cp3 s ASN 49 Ca -0.05 -0.30 0.23 0.00 -0.71 0.00 0.00 52.86 52.03 2cp3 s ASN 49 Cb 0.04 -0.46 0.45 0.00 0.41 0.00 0.00 41.25 41.69 2cp3 s ASN 49 CO 0.46 -1.25 1.16 -0.90 -1.51 0.00 0.00 177.10 175.07 2cp3 n ASP 50 N -2.33 1.34 -0.33 -1.22 5.68 -1.26 -2.61 116.55 115.82 2cp3 n ASP 50 Ca 0.11 -2.29 -0.03 0.00 -0.50 0.00 0.00 54.79 52.07 2cp3 n ASP 50 Cb 0.60 -0.36 -0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2cp3 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cp3 n GLY 51 N 0.05 0.30 3.18 6.12 0.00 -1.26 -3.79 105.19 109.79 2cp3 n GLY 51 Ca 0.09 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 2cp3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cp3 s ALA 52 N -2.14 -0.83 -0.05 4.61 0.00 -1.26 -1.73 121.76 120.35 2cp3 s ALA 52 Ca 0.00 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 2cp3 s ALA 52 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2cp3 s ALA 52 CO 0.00 -0.23 0.13 0.08 0.00 0.00 0.00 175.76 175.74 2cp3 s VAL 53 N 1.22 -0.01 -1.67 0.00 1.01 -0.75 -4.85 120.40 115.35 2cp3 s VAL 53 Ca -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2cp3 s VAL 53 Cb -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2cp3 s VAL 53 CO -0.10 0.02 0.22 0.00 0.00 0.00 0.00 175.10 175.24 2cp3 n ALA 54 N 3.32 -0.73 -2.01 5.51 0.00 -1.26 -1.57 120.51 123.77 2cp3 n ALA 54 Ca -0.16 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2cp3 n ALA 54 Cb 0.57 -2.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 2cp3 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cp3 n GLY 55 N -1.20 0.19 2.70 0.00 0.00 -1.26 -5.01 105.19 100.61 2cp3 n GLY 55 Ca -0.20 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 2cp3 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cp3 s THR 56 N -2.42 0.44 -0.19 2.61 2.01 -0.61 -5.12 115.64 112.37 2cp3 s THR 56 Ca 0.00 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 2cp3 s THR 56 Cb 0.00 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2cp3 s THR 56 CO 0.00 -0.35 0.54 -0.60 -0.69 0.00 0.00 174.62 173.52 2cp3 s ARG 57 N 1.88 4.21 -0.09 4.92 6.06 -1.26 -1.81 118.95 132.87 2cp3 s ARG 57 Ca 0.02 0.46 0.10 0.00 -2.50 0.00 0.00 55.73 53.81 2cp3 s ARG 57 Cb -0.17 -3.55 -0.24 0.00 0.06 0.00 0.00 34.95 31.05 2cp3 s ARG 57 CO -0.14 -0.13 0.49 0.66 -2.50 0.00 0.00 175.30 173.68 2cp3 n TYR 58 N 4.71 0.85 -3.71 5.12 4.01 -0.71 -4.93 117.16 122.50 2cp3 n TYR 58 Ca -0.04 0.28 -0.11 0.00 -0.16 0.00 0.00 57.90 57.86 2cp3 n TYR 58 Cb 0.50 -1.15 -0.11 0.00 -0.31 0.00 0.00 39.34 38.28 2cp3 n TYR 58 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2cp3 s PHE 59 N -2.57 -0.51 0.08 -0.72 -0.71 -1.22 -5.01 117.98 107.32 2cp3 s PHE 59 Ca -0.09 1.13 -0.31 0.00 -1.04 0.00 0.00 56.93 56.62 2cp3 s PHE 59 Cb 0.07 0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.99 2cp3 s PHE 59 CO 0.81 -0.29 1.76 -1.14 -1.34 0.00 0.00 175.22 175.03 2cp3 s GLN 60 N 1.07 4.17 -0.06 1.99 2.00 -1.26 -4.51 119.66 123.06 2cp3 s GLN 60 Ca -0.07 2.46 -0.19 0.00 -2.00 0.00 0.00 55.36 55.56 2cp3 s GLN 60 Cb -0.07 -3.70 0.04 0.00 0.80 0.00 0.00 33.01 30.07 2cp3 s GLN 60 CO -0.09 -0.81 0.43 0.00 -0.50 0.00 0.00 175.29 174.32 2cp3 s PRO 62 N -0.94 3.33 0.28 0.00 0.04 -1.26 -4.78 135.00 131.69 2cp3 s PRO 62 Ca -0.10 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2cp3 s PRO 62 Cb -0.04 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 2cp3 s PRO 62 CO 0.05 -0.84 1.40 -2.30 0.04 0.00 0.00 177.00 175.34 2cp3 n PRO 63 N -1.49 2.17 -2.91 0.56 -0.02 -1.26 -3.50 135.00 128.56 2cp3 n PRO 63 Ca 0.11 0.77 -0.04 0.00 -2.02 0.00 0.00 63.50 62.32 2cp3 n PRO 63 Cb 0.52 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2cp3 n PRO 63 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2cp3 n LYS 64 N 1.51 -1.38 0.00 -0.52 4.76 -1.24 -4.93 118.16 116.37 2cp3 n LYS 64 Ca 0.09 1.20 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 2cp3 n LYS 64 Cb 0.34 -5.24 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 2cp3 n LYS 64 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cp3 n PHE 65 N -2.04 -1.12 -2.84 2.13 3.72 -1.20 -4.31 117.46 111.79 2cp3 n PHE 65 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.04 2cp3 n PHE 65 Cb 0.53 0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 39.26 2cp3 n PHE 65 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2cp3 s GLY 66 N -1.80 2.57 -0.24 1.37 0.00 -1.07 -1.02 107.32 107.14 2cp3 s GLY 66 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 2cp3 s GLY 66 CO 0.00 0.76 0.10 -2.27 0.00 0.00 0.00 173.10 171.69 2cp3 s LEU 67 N -2.62 0.66 0.15 0.66 2.96 0.16 -3.11 118.68 117.53 2cp3 s LEU 67 Ca 0.55 -1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 2cp3 s LEU 67 Cb -0.14 -0.37 -0.07 0.00 0.50 0.00 0.00 46.19 46.11 2cp3 s LEU 67 CO 0.18 -0.39 1.11 -0.36 -1.32 0.00 0.00 176.35 175.57 2cp3 s PHE 68 N 2.05 3.58 -0.09 5.38 0.08 -1.26 -1.71 117.98 126.01 2cp3 s PHE 68 Ca 0.05 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 58.50 2cp3 s PHE 68 Cb -0.16 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 39.04 2cp3 s PHE 68 CO -0.22 -0.67 0.40 0.00 -0.10 0.00 0.00 175.22 174.63 2cp3 s ALA 69 N 0.05 -1.00 0.43 5.36 0.00 -1.03 -4.98 121.76 120.59 2cp3 s ALA 69 Ca 0.51 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 2cp3 s ALA 69 Cb -0.29 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.43 2cp3 s ALA 69 CO 0.33 -0.24 1.11 -2.30 0.00 0.00 0.00 175.76 174.67 2cp3 n PRO 70 N 2.02 1.54 -0.11 0.00 -0.02 -1.26 -1.14 135.00 136.02 2cp3 n PRO 70 Ca -0.17 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 2cp3 n PRO 70 Cb 0.57 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.88 2cp3 n PRO 70 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2cp3 h ILE 71 N 1.68 0.94 0.00 4.25 2.10 -1.17 -0.50 117.51 124.80 2cp3 h ILE 71 Ca -0.46 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.35 2cp3 h ILE 71 Cb 1.32 0.56 -0.00 0.00 -1.09 0.00 0.00 36.82 37.62 2cp3 h ILE 71 CO 0.58 0.06 -0.05 1.12 -1.08 0.00 0.00 178.15 178.78 2cp3 h HIS 72 N 0.34 0.00 0.00 2.19 2.07 -1.91 -1.42 115.15 116.43 2cp3 h HIS 72 Ca 0.17 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.64 2cp3 h HIS 72 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 2cp3 h HIS 72 CO -0.12 0.05 -0.78 0.87 -3.07 0.00 0.00 177.93 174.88 2cp3 h LYS 73 N 0.00 0.00 -7.03 5.12 1.79 -1.50 -3.46 116.57 111.49 2cp3 h LYS 73 Ca -0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 2cp3 h LYS 73 Cb 0.20 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.89 2cp3 h LYS 73 CO 0.01 0.13 0.41 0.08 -1.08 0.00 0.00 179.45 178.99 2cp3 s VAL 74 N -3.18 3.64 -0.04 0.50 1.01 -0.39 -4.67 120.40 117.27 2cp3 s VAL 74 Ca 0.01 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2cp3 s VAL 74 Cb 0.08 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2cp3 s VAL 74 CO 0.76 -0.12 -0.10 -0.63 0.00 0.00 0.00 175.10 175.00 2cp3 s ILE 75 N -1.81 0.92 -0.22 2.22 1.09 -1.18 -5.00 121.20 117.23 2cp3 s ILE 75 Ca 0.64 -0.40 -0.21 0.00 -1.10 0.00 0.00 60.65 59.58 2cp3 s ILE 75 Cb -0.20 -0.83 -0.02 0.00 -1.06 0.00 0.00 42.46 40.35 2cp3 s ILE 75 CO 0.25 0.29 0.66 -0.60 -0.10 0.00 0.00 174.94 175.44 2cp3 s ARG 76 N 0.40 4.19 -0.09 2.79 3.52 -1.26 0.32 118.95 128.81 2cp3 s ARG 76 Ca -0.07 0.65 0.08 0.00 -0.13 0.00 0.00 55.73 56.26 2cp3 s ARG 76 Cb -0.12 -3.60 -0.12 0.00 -1.56 0.00 0.00 34.95 29.55 2cp3 s ARG 76 CO 0.01 -0.32 0.04 0.44 -0.81 0.00 0.00 175.30 174.66 2cp3 n ILE 77 N 4.88 0.64 0.00 4.11 -5.35 -1.25 -4.92 119.36 117.48 2cp3 n ILE 77 Ca -0.00 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2cp3 n ILE 77 Cb 0.49 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 2cp3 n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cp3 n GLY 78 N 2.41 2.37 2.74 3.28 0.00 -1.18 -4.29 105.19 110.52 2cp3 n GLY 78 Ca -0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2cp3 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cp3 n SER 79 N 4.91 -3.28 -3.10 1.61 7.64 -1.26 -4.65 113.62 115.48 2cp3 n SER 79 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2cp3 n SER 79 Cb 0.00 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 64.82 2cp3 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cp3 n GLY 80 N 2.91 -2.46 3.56 0.23 0.00 -1.26 -4.83 105.19 103.34 2cp3 n GLY 80 Ca 0.19 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 2cp3 n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cp3 s PRO 81 N -1.41 2.60 0.09 1.61 0.04 -1.26 -4.84 135.00 131.83 2cp3 s PRO 81 Ca 0.00 0.02 -0.25 0.00 0.04 0.00 0.00 61.00 60.81 2cp3 s PRO 81 Cb 0.00 -4.82 0.09 0.00 0.04 0.00 0.00 34.50 29.81 2cp3 s PRO 81 CO 0.00 -3.12 1.16 -1.12 0.04 0.00 0.00 177.00 173.96 2cp3 s SER 82 N 7.97 0.00 -0.12 6.66 0.01 -1.26 -5.19 113.70 121.78 2cp3 s SER 82 Ca 0.68 -0.45 -0.31 0.00 1.31 0.00 0.00 55.95 57.18 2cp3 s SER 82 Cb -0.09 0.33 0.12 0.00 0.21 0.00 0.00 66.02 66.60 2cp3 s SER 82 CO 0.07 -0.66 1.03 -0.94 0.41 0.00 0.00 173.24 173.14 2cp3 s SER 83 N -3.58 -0.30 0.00 2.44 1.04 -1.26 -5.16 113.70 106.88 2cp3 s SER 83 Ca 0.25 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2cp3 s SER 83 Cb -0.02 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2cp3 s SER 83 CO 0.02 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.45