#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 4.83 0.00 1.61 0.01 -1.26 -4.98 113.70 113.91 2cp3 s SER 2 Ca 0.00 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2cp3 s SER 2 Cb 0.00 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2cp3 s SER 2 CO 0.00 0.33 0.00 -1.20 0.41 0.00 0.00 173.24 172.78 2cp3 n SER 3 N 2.42 0.31 -3.46 2.44 7.64 -1.26 -5.07 113.62 116.65 2cp3 n SER 3 Ca -0.18 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.53 2cp3 n SER 3 Cb 0.53 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 2cp3 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cp3 s GLY 4 N -4.44 -0.07 0.41 0.23 0.00 -1.26 -5.15 107.32 97.04 2cp3 s GLY 4 Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.98 2cp3 s GLY 4 CO 0.00 2.31 0.13 -0.56 0.00 0.00 0.00 173.10 174.98 2cp3 s SER 5 N 2.36 2.82 -0.12 1.64 0.01 -1.26 -5.07 113.70 114.08 2cp3 s SER 5 Ca 0.08 -1.68 0.12 0.00 1.31 0.00 0.00 55.95 55.78 2cp3 s SER 5 Cb -0.15 0.51 -0.24 0.00 0.21 0.00 0.00 66.02 66.35 2cp3 s SER 5 CO -0.17 -0.93 0.36 -1.20 0.41 0.00 0.00 173.24 171.71 2cp3 n SER 6 N -1.31 0.78 0.00 2.44 7.64 -1.26 -5.01 113.62 116.90 2cp3 n SER 6 Ca -0.06 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2cp3 n SER 6 Cb 0.65 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2cp3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cp3 n GLY 7 N 1.72 3.51 3.95 0.23 0.00 -1.26 -5.14 105.19 108.21 2cp3 n GLY 7 Ca -0.26 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2cp3 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cp3 s LEU 8 N 0.00 3.83 0.08 0.99 1.43 -1.26 -5.11 118.68 118.63 2cp3 s LEU 8 Ca 0.00 0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.50 2cp3 s LEU 8 Cb 0.00 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 2cp3 s LEU 8 CO 0.00 -0.51 -0.26 -0.13 0.23 0.00 0.00 176.35 175.68 2cp3 s ARG 9 N -4.42 1.62 -0.54 1.70 1.81 -1.26 -5.07 118.95 112.79 2cp3 s ARG 9 Ca 0.45 -1.18 -0.26 0.00 -1.72 0.00 0.00 55.73 53.01 2cp3 s ARG 9 Cb -0.10 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 2cp3 s ARG 9 CO 0.36 0.48 2.09 -0.51 -0.68 0.00 0.00 175.30 177.04 2cp3 s LEU 10 N -1.54 3.35 0.00 2.53 1.43 -1.26 -3.55 118.68 119.64 2cp3 s LEU 10 Ca 0.12 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2cp3 s LEU 10 Cb -0.10 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2cp3 s LEU 10 CO 0.03 -2.55 0.00 0.61 0.23 0.00 0.00 176.35 174.68 2cp3 n GLY 11 N 5.81 0.63 2.78 -3.19 0.00 0.45 -5.00 105.19 106.68 2cp3 n GLY 11 Ca 0.27 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.92 0.06 -0.20 1.61 1.11 -1.23 -4.84 116.67 112.26 2cp3 s ASP 12 Ca 0.00 0.05 -0.29 0.00 0.18 0.00 0.00 52.55 52.49 2cp3 s ASP 12 Cb 0.00 -0.06 -0.04 0.00 1.07 0.00 0.00 42.92 43.89 2cp3 s ASP 12 CO 0.00 -0.13 1.86 -0.60 1.18 0.00 0.00 175.17 177.48 2cp3 s ARG 13 N 1.07 3.59 0.28 8.23 3.52 -1.26 -1.55 118.95 132.83 2cp3 s ARG 13 Ca -0.09 1.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.46 2cp3 s ARG 13 Cb -0.13 -4.17 -0.06 0.00 -1.56 0.00 0.00 34.95 29.03 2cp3 s ARG 13 CO -0.03 -1.56 -0.11 0.14 -0.81 0.00 0.00 175.30 172.94 2cp3 s VAL 14 N 6.20 1.90 -0.30 7.11 -7.23 0.16 -3.68 120.40 124.56 2cp3 s VAL 14 Ca 0.83 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 2cp3 s VAL 14 Cb -0.29 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2cp3 s VAL 14 CO 0.34 -0.36 0.20 -0.22 -0.31 0.00 0.00 175.10 174.75 2cp3 s LEU 15 N -3.46 4.19 -0.35 1.32 2.96 0.17 -1.08 118.68 122.44 2cp3 s LEU 15 Ca 0.29 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2cp3 s LEU 15 Cb 0.01 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2cp3 s LEU 15 CO 0.12 -0.13 0.15 -0.69 -1.32 0.00 0.00 176.35 174.48 2cp3 s VAL 16 N 1.73 4.20 0.00 1.68 1.01 0.46 -2.71 120.40 126.76 2cp3 s VAL 16 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2cp3 s VAL 16 Cb -0.17 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2cp3 s VAL 16 CO 0.10 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2cp3 n GLY 17 N 4.91 2.86 0.00 4.51 0.00 -1.26 -3.20 105.19 113.01 2cp3 n GLY 17 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.73 1.20 -0.02 0.00 -1.26 -4.95 105.19 100.89 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 2.41 0.00 0.00 0.00 173.32 175.73 2cp3 n THR 19 N 0.00 0.00 -1.54 2.61 -1.04 -1.26 -5.04 114.28 108.01 2cp3 n THR 19 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2cp3 n THR 19 Cb 0.00 -0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.23 2cp3 n THR 19 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2cp3 n LYS 20 N -2.10 0.91 -3.15 -2.82 5.02 -1.19 -4.82 118.16 110.00 2cp3 n LYS 20 Ca 0.00 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 2cp3 n LYS 20 Cb 0.00 -3.21 -0.06 0.00 -0.02 0.00 0.00 35.03 31.73 2cp3 n LYS 20 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cp3 s THR 21 N 11.89 5.03 0.06 -0.18 -4.23 -1.26 -0.40 115.64 126.55 2cp3 s THR 21 Ca 1.03 1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 62.49 2cp3 s THR 21 Cb -0.31 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 69.64 2cp3 s THR 21 CO 0.29 0.09 0.33 -0.83 -0.54 0.00 0.00 174.62 173.96 2cp3 s GLY 22 N 1.31 -0.15 0.10 3.99 0.00 -0.24 -4.23 107.32 108.10 2cp3 s GLY 22 Ca 0.26 -0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 2cp3 s GLY 22 CO 0.09 -0.26 0.55 0.14 0.00 0.00 0.00 173.10 173.62 2cp3 s VAL 23 N -2.95 4.81 0.05 1.40 1.01 -0.06 0.41 120.40 125.07 2cp3 s VAL 23 Ca -0.02 1.01 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 2cp3 s VAL 23 Cb 0.00 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2cp3 s VAL 23 CO -0.06 0.41 1.34 -0.69 0.00 0.00 0.00 175.10 176.11 2cp3 s VAL 24 N -1.27 3.67 -0.11 2.92 1.01 -0.59 0.50 120.40 126.53 2cp3 s VAL 24 Ca 0.33 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.53 2cp3 s VAL 24 Cb -0.17 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 2cp3 s VAL 24 CO 0.19 0.05 0.01 0.54 0.00 0.00 0.00 175.10 175.88 2cp3 n ARG 25 N 4.58 2.00 -4.48 2.72 5.12 0.18 -0.41 116.66 126.37 2cp3 n ARG 25 Ca 0.12 0.01 -0.23 0.00 -1.93 0.00 0.00 57.85 55.82 2cp3 n ARG 25 Cb 0.44 -1.26 -0.14 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 -2.25 1.49 -0.18 -1.55 5.04 -1.09 -4.88 117.35 113.93 2cp3 s TYR 26 Ca -0.07 -0.36 -0.08 0.00 -2.44 0.00 0.00 57.07 54.11 2cp3 s TYR 26 Cb 0.03 -0.89 0.07 0.00 0.35 0.00 0.00 41.96 41.53 2cp3 s TYR 26 CO 0.40 0.06 0.42 0.08 -1.34 0.00 0.00 175.55 175.17 2cp3 s VAL 27 N -0.83 -0.29 -5.00 3.14 1.01 -1.26 -1.45 120.40 115.72 2cp3 s VAL 27 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2cp3 s VAL 27 Cb -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2cp3 s VAL 27 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2cp3 n GLY 28 N 4.75 0.29 3.81 4.51 0.00 -1.04 -5.05 105.19 112.46 2cp3 n GLY 28 Ca -0.17 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.86 4.30 0.51 1.61 2.02 -1.26 -0.81 118.70 123.22 2cp3 s GLU 29 Ca 0.00 1.04 0.08 0.00 0.02 0.00 0.00 54.97 56.10 2cp3 s GLU 29 Cb 0.00 -2.59 0.08 0.00 0.10 0.00 0.00 34.13 31.72 2cp3 s GLU 29 CO 0.00 0.20 0.64 0.25 0.02 0.00 0.00 175.26 176.37 2cp3 n THR 30 N 0.11 0.00 -0.06 3.63 -2.24 -1.10 -4.88 114.28 109.74 2cp3 n THR 30 Ca 0.03 -1.79 -0.06 0.00 -2.27 0.00 0.00 64.05 59.95 2cp3 n THR 30 Cb 0.52 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.27 2.17 0.07 3.42 -0.08 -1.26 -4.64 116.55 113.96 2cp3 n ASP 31 Ca 0.11 -0.01 -0.22 0.00 -1.51 0.00 0.00 54.79 53.16 2cp3 n ASP 31 Cb 0.54 0.66 -0.15 0.00 2.34 0.00 0.00 41.12 44.51 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 2cp3 h PHE 32 N 0.00 0.65 -3.31 -0.67 -5.15 -1.98 -3.44 116.94 103.03 2cp3 h PHE 32 Ca -0.32 -0.47 -0.66 0.00 -0.20 0.00 0.00 57.97 56.31 2cp3 h PHE 32 Cb 1.70 -0.03 -0.29 0.00 0.22 0.00 0.00 35.95 37.56 2cp3 h PHE 32 CO 0.00 1.42 -0.76 0.00 -2.00 0.00 0.00 178.31 176.97 2cp3 s ALA 33 N -2.48 2.67 -0.19 12.09 0.00 -1.26 -5.08 121.76 127.51 2cp3 s ALA 33 Ca -0.13 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 2cp3 s ALA 33 Cb 0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2cp3 s ALA 33 CO 0.85 -0.18 1.66 0.15 0.00 0.00 0.00 175.76 178.24 2cp3 s LYS 34 N 1.05 3.84 0.00 0.00 3.01 -1.26 -4.01 119.74 122.37 2cp3 s LYS 34 Ca -0.00 1.79 0.00 0.00 -1.01 0.00 0.00 55.97 56.74 2cp3 s LYS 34 Cb -0.15 -4.04 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 2cp3 s LYS 34 CO -0.02 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.00 2cp3 n GLY 35 N 4.61 2.77 3.44 -3.33 0.00 -1.26 -5.02 105.19 106.39 2cp3 n GLY 35 Ca 0.19 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.87 3.42 0.83 1.61 8.01 -1.26 -2.72 118.70 126.72 2cp3 s GLU 36 Ca 0.00 -1.53 -0.09 0.00 0.01 0.00 0.00 54.97 53.36 2cp3 s GLU 36 Cb 0.00 -4.66 0.15 0.00 -4.31 0.00 0.00 34.13 25.31 2cp3 s GLU 36 CO 0.00 -1.73 1.16 -1.58 0.01 0.00 0.00 175.26 173.12 2cp3 s TRP 37 N 2.88 1.92 -0.20 1.61 0.52 0.01 -2.04 118.94 123.63 2cp3 s TRP 37 Ca 0.27 0.19 -0.11 0.00 0.02 0.00 0.00 56.10 56.47 2cp3 s TRP 37 Cb -0.10 -3.58 0.07 0.00 -1.15 0.00 0.00 33.47 28.71 2cp3 s TRP 37 CO -0.03 -2.09 0.49 0.00 0.02 0.00 0.00 176.95 175.34 2cp3 s GLY 39 N 1.58 2.00 -0.14 0.00 0.00 -0.53 -1.98 107.32 108.25 2cp3 s GLY 39 Ca -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 2cp3 s GLY 39 CO -0.15 0.87 -0.05 0.14 0.00 0.00 0.00 173.10 173.92 2cp3 s VAL 40 N 1.60 3.82 -0.22 1.40 1.01 0.86 0.49 120.40 129.36 2cp3 s VAL 40 Ca 0.17 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 2cp3 s VAL 40 Cb -0.15 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2cp3 s VAL 40 CO 0.08 0.51 0.25 -0.70 0.00 0.00 0.00 175.10 175.24 2cp3 s GLU 41 N 0.24 4.11 0.08 2.72 2.12 0.18 -0.33 118.70 127.82 2cp3 s GLU 41 Ca -0.03 -0.09 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 2cp3 s GLU 41 Cb -0.14 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2cp3 s GLU 41 CO 0.03 0.03 0.26 -0.51 -0.54 0.00 0.00 175.26 174.53 2cp3 s LEU 42 N 1.13 4.33 0.13 2.70 1.43 -1.25 -0.88 118.68 126.27 2cp3 s LEU 42 Ca 0.12 0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 2cp3 s LEU 42 Cb -0.14 -3.05 -0.08 0.00 0.03 0.00 0.00 46.19 42.95 2cp3 s LEU 42 CO 0.06 0.14 1.32 0.44 0.23 0.00 0.00 176.35 178.53 2cp3 h ASP 43 N 3.04 0.56 -3.13 2.29 3.32 -1.95 -3.45 116.42 117.10 2cp3 h ASP 43 Ca -0.45 -0.43 -0.64 0.00 0.02 0.00 0.00 57.03 55.52 2cp3 h ASP 43 Cb 1.16 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 2cp3 h ASP 43 CO 0.75 1.22 -0.58 -1.61 -1.72 0.00 0.00 179.24 177.30 2cp3 s GLU 44 N -3.33 3.01 -0.85 3.56 2.02 -1.26 -5.00 118.70 116.85 2cp3 s GLU 44 Ca -0.06 -0.58 -0.22 0.00 0.02 0.00 0.00 54.97 54.12 2cp3 s GLU 44 Cb 0.09 -2.81 -0.19 0.00 0.10 0.00 0.00 34.13 31.32 2cp3 s GLU 44 CO 0.87 0.60 2.15 -2.30 0.02 0.00 0.00 175.26 176.60 2cp3 n PRO 45 N 0.74 0.28 -1.25 0.39 -0.02 -1.26 -4.53 135.00 129.34 2cp3 n PRO 45 Ca -0.10 -1.00 0.04 0.00 -2.02 0.00 0.00 63.50 60.42 2cp3 n PRO 45 Cb 0.52 -3.26 0.06 0.00 -0.02 0.00 0.00 33.50 30.79 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 16.57 1.28 -4.70 2.45 4.77 -1.24 -5.09 117.00 131.04 2cp3 n LEU 46 Ca 0.43 -2.31 -0.31 0.00 -0.03 0.00 0.00 56.01 53.79 2cp3 n LEU 46 Cb 0.42 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2cp3 n LEU 46 CO 0.62 0.66 -0.25 -0.83 -1.33 0.00 0.00 177.39 176.25 2cp3 s GLY 47 N -2.18 2.86 -0.14 -0.72 0.00 -1.21 -5.00 107.32 100.93 2cp3 s GLY 47 Ca 0.33 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 44.26 2cp3 s GLY 47 CO -0.14 -2.12 -0.05 0.28 0.00 0.00 0.00 173.10 171.07 2cp3 n LYS 48 N -1.15 1.14 -4.56 2.90 5.02 -1.26 -4.78 118.16 115.46 2cp3 n LYS 48 Ca -0.15 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 55.92 2cp3 n LYS 48 Cb 0.67 -1.32 -0.08 0.00 -0.02 0.00 0.00 35.03 34.28 2cp3 n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cp3 s ASN 49 N -5.08 3.08 -0.34 4.39 0.01 -1.21 -4.80 114.94 110.99 2cp3 s ASN 49 Ca -0.14 -1.70 0.07 0.00 -0.71 0.00 0.00 52.86 50.37 2cp3 s ASN 49 Cb 0.05 0.57 0.49 0.00 0.41 0.00 0.00 41.25 42.77 2cp3 s ASN 49 CO 0.44 -0.95 1.48 -0.90 -1.51 0.00 0.00 177.10 175.66 2cp3 n ASP 50 N -1.37 3.61 -0.03 -1.22 5.75 -1.26 -1.77 116.55 120.25 2cp3 n ASP 50 Ca -0.09 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.91 2cp3 n ASP 50 Cb 0.65 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2cp3 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cp3 n GLY 51 N -1.02 1.34 3.05 6.12 0.00 -1.26 -3.88 105.19 109.54 2cp3 n GLY 51 Ca 0.40 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.06 0.66 -0.03 4.61 0.00 -1.26 -1.89 121.76 121.79 2cp3 s ALA 52 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 2cp3 s ALA 52 Cb 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.11 2cp3 s ALA 52 CO 0.00 0.06 0.02 0.08 0.00 0.00 0.00 175.76 175.93 2cp3 s VAL 53 N -0.94 0.02 -1.68 0.00 1.01 -0.16 -4.82 120.40 113.83 2cp3 s VAL 53 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2cp3 s VAL 53 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2cp3 s VAL 53 CO 0.00 0.12 0.10 0.00 0.00 0.00 0.00 175.10 175.32 2cp3 n ALA 54 N 4.28 -0.65 -1.97 5.51 0.00 -1.26 -1.80 120.51 124.63 2cp3 n ALA 54 Ca -0.25 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2cp3 n ALA 54 Cb 0.50 -2.41 -0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.10 0.32 2.69 0.00 0.00 -1.26 -5.04 105.19 100.81 2cp3 n GLY 55 Ca -0.22 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.07 0.42 -0.23 2.61 2.01 -0.74 -5.12 115.64 112.52 2cp3 s THR 56 Ca 0.00 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 2cp3 s THR 56 Cb 0.00 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2cp3 s THR 56 CO 0.00 -0.35 0.56 -0.60 -0.69 0.00 0.00 174.62 173.55 2cp3 s ARG 57 N 1.89 4.14 -0.17 4.92 3.52 -1.26 -0.99 118.95 130.99 2cp3 s ARG 57 Ca 0.02 0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.93 2cp3 s ARG 57 Cb -0.17 -3.61 -0.11 0.00 -1.56 0.00 0.00 34.95 29.50 2cp3 s ARG 57 CO -0.14 -0.29 0.02 1.88 -0.81 0.00 0.00 175.30 175.96 2cp3 h TYR 58 N 7.75 0.00 -3.36 5.12 -1.99 -1.75 -3.47 116.97 119.26 2cp3 h TYR 58 Ca -0.30 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.77 2cp3 h TYR 58 Cb 1.14 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.60 2cp3 h TYR 58 CO 0.73 0.69 -0.76 -0.59 -0.00 0.00 0.00 178.16 178.23 2cp3 s PHE 59 N -2.27 2.81 0.25 4.88 -0.71 -1.25 -5.09 117.98 116.60 2cp3 s PHE 59 Ca -0.21 -0.61 -0.30 0.00 -1.04 0.00 0.00 56.93 54.77 2cp3 s PHE 59 Cb 0.04 -1.83 -0.10 0.00 -1.21 0.00 0.00 43.02 39.91 2cp3 s PHE 59 CO 0.39 -0.19 1.42 -1.14 -1.34 0.00 0.00 175.22 174.36 2cp3 s GLN 60 N 0.29 4.28 -0.18 1.99 2.00 -1.26 -4.58 119.66 122.19 2cp3 s GLN 60 Ca -0.10 2.29 -0.29 0.00 -2.00 0.00 0.00 55.36 55.26 2cp3 s GLN 60 Cb -0.16 -3.11 0.12 0.00 0.80 0.00 0.00 33.01 30.66 2cp3 s GLN 60 CO 0.05 -0.40 0.96 0.00 -0.50 0.00 0.00 175.29 175.41 2cp3 n PRO 62 N 1.20 -1.78 -2.15 0.00 -0.02 -1.26 -4.81 135.00 126.18 2cp3 n PRO 62 Ca -0.12 -0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 60.45 2cp3 n PRO 62 Cb 0.57 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2cp3 n PRO 62 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2cp3 s PRO 63 N -3.71 4.35 -1.68 0.52 0.04 -1.26 -2.65 135.00 130.60 2cp3 s PRO 63 Ca 0.59 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2cp3 s PRO 63 Cb -0.16 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2cp3 s PRO 63 CO 0.66 -0.29 0.00 1.63 0.04 0.00 0.00 177.00 179.04 2cp3 n LYS 64 N 2.30 -1.50 -0.80 4.56 4.01 -1.25 -4.87 118.16 120.61 2cp3 n LYS 64 Ca 0.05 0.96 0.06 0.00 -0.51 0.00 0.00 58.31 58.87 2cp3 n LYS 64 Cb 0.42 -5.49 0.17 0.00 -0.51 0.00 0.00 35.03 29.62 2cp3 n LYS 64 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2cp3 n PHE 65 N -3.83 0.00 -3.47 2.13 3.01 -1.09 -3.33 117.46 110.89 2cp3 n PHE 65 Ca -0.22 -1.29 -0.09 0.00 1.01 0.00 0.00 57.45 56.87 2cp3 n PHE 65 Cb 0.67 -0.23 -0.09 0.00 -0.01 0.00 0.00 39.48 39.82 2cp3 n PHE 65 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2cp3 s GLY 66 N -2.97 -0.40 -0.04 1.37 0.00 -0.73 -3.86 107.32 100.69 2cp3 s GLY 66 Ca 0.37 1.17 0.03 0.00 0.00 0.00 0.00 44.72 46.29 2cp3 s GLY 66 CO -0.09 2.56 -0.11 -2.27 0.00 0.00 0.00 173.10 173.19 2cp3 s LEU 67 N 2.58 2.93 -0.23 0.66 2.96 0.55 -3.35 118.68 124.77 2cp3 s LEU 67 Ca 0.07 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2cp3 s LEU 67 Cb -0.14 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 2cp3 s LEU 67 CO -0.14 0.33 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.85 2cp3 s PHE 68 N -0.81 3.00 -0.02 5.38 0.08 -1.26 -0.10 117.98 124.25 2cp3 s PHE 68 Ca 0.13 -0.80 -0.12 0.00 0.12 0.00 0.00 56.93 56.27 2cp3 s PHE 68 Cb -0.11 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2cp3 s PHE 68 CO 0.02 -0.50 0.24 0.00 -0.10 0.00 0.00 175.22 174.89 2cp3 s ALA 69 N 1.52 -0.61 0.63 5.36 0.00 -0.84 -5.00 121.76 122.82 2cp3 s ALA 69 Ca 0.06 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 2cp3 s ALA 69 Cb -0.15 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2cp3 s ALA 69 CO -0.01 -0.23 0.80 -2.30 0.00 0.00 0.00 175.76 174.02 2cp3 n PRO 70 N 1.49 0.66 -0.14 0.00 -0.02 -1.26 -1.12 135.00 134.61 2cp3 n PRO 70 Ca -0.21 0.27 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 2cp3 n PRO 70 Cb 0.56 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.19 1.13 0.00 4.25 2.10 -1.66 -1.48 117.51 122.04 2cp3 h ILE 71 Ca -0.47 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2cp3 h ILE 71 Cb 1.37 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 2cp3 h ILE 71 CO 0.48 0.13 0.00 1.12 -1.08 0.00 0.00 178.15 178.80 2cp3 h HIS 72 N 0.56 0.00 -0.50 2.19 2.07 -1.91 -1.36 115.15 116.20 2cp3 h HIS 72 Ca 0.15 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.59 2cp3 h HIS 72 Cb -0.01 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.92 2cp3 h HIS 72 CO -0.03 0.00 0.11 1.63 -3.07 0.00 0.00 177.93 176.56 2cp3 n LYS 73 N -2.61 3.51 -5.02 5.12 4.76 -0.56 -4.88 118.16 118.47 2cp3 n LYS 73 Ca -0.01 -2.35 -0.32 0.00 -2.87 0.00 0.00 58.31 52.76 2cp3 n LYS 73 Cb 0.13 -2.04 -0.15 0.00 -1.84 0.00 0.00 35.03 31.13 2cp3 n LYS 73 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cp3 s VAL 74 N -2.36 2.63 -0.01 -0.18 1.01 -0.51 -4.60 120.40 116.37 2cp3 s VAL 74 Ca 0.41 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2cp3 s VAL 74 Cb 0.32 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2cp3 s VAL 74 CO 0.11 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 174.96 2cp3 s ILE 75 N -0.22 2.73 -0.27 2.22 1.01 -1.10 -4.96 121.20 120.61 2cp3 s ILE 75 Ca -0.01 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 2cp3 s ILE 75 Cb -0.13 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 2cp3 s ILE 75 CO 0.03 0.49 0.18 -0.60 0.00 0.00 0.00 174.94 175.05 2cp3 s ARG 76 N -0.97 3.98 -0.23 2.79 3.52 -1.26 0.46 118.95 127.24 2cp3 s ARG 76 Ca 0.12 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 2cp3 s ARG 76 Cb -0.10 -3.63 0.09 0.00 -1.56 0.00 0.00 34.95 29.74 2cp3 s ARG 76 CO 0.02 -0.12 0.14 0.96 -0.81 0.00 0.00 175.30 175.49 2cp3 s ILE 77 N 1.58 -0.13 -0.37 4.11 -4.36 -1.24 -4.95 121.20 115.83 2cp3 s ILE 77 Ca 0.07 -0.42 0.02 0.00 -0.26 0.00 0.00 60.65 60.06 2cp3 s ILE 77 Cb -0.15 -0.78 0.11 0.00 1.25 0.00 0.00 42.46 42.89 2cp3 s ILE 77 CO 0.09 -0.47 0.14 -0.83 0.24 0.00 0.00 174.94 174.11 2cp3 s GLY 78 N 2.16 1.60 -0.27 6.27 0.00 -1.26 -4.77 107.32 111.06 2cp3 s GLY 78 Ca 0.06 -2.31 -0.02 0.00 0.00 0.00 0.00 44.72 42.45 2cp3 s GLY 78 CO -0.22 1.35 0.08 -0.56 0.00 0.00 0.00 173.10 173.75 2cp3 s SER 79 N 0.90 3.60 0.00 1.64 0.01 -1.26 -5.10 113.70 113.49 2cp3 s SER 79 Ca 0.13 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2cp3 s SER 79 Cb -0.21 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2cp3 s SER 79 CO -0.11 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2cp3 n GLY 80 N 4.97 -1.79 3.21 3.44 0.00 -1.26 -5.16 105.19 108.59 2cp3 n GLY 80 Ca -0.05 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 2cp3 n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cp3 n PRO 81 N -0.37 -2.02 -4.53 1.61 -0.02 -1.26 -5.05 135.00 123.36 2cp3 n PRO 81 Ca 0.00 -0.58 -0.26 0.00 -2.02 0.00 0.00 63.50 60.63 2cp3 n PRO 81 Cb 0.00 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2cp3 n PRO 81 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2cp3 s SER 82 N -1.96 2.90 0.17 2.55 0.15 -1.26 -5.09 113.70 111.16 2cp3 s SER 82 Ca 0.52 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2cp3 s SER 82 Cb -0.10 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2cp3 s SER 82 CO 0.58 -0.96 0.00 -1.20 1.20 0.00 0.00 173.24 172.86 2cp3 n SER 83 N -1.38 -1.43 0.00 5.45 7.64 -1.26 -5.33 113.62 117.31 2cp3 n SER 83 Ca -0.07 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2cp3 n SER 83 Cb 0.65 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 65.46 2cp3 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64