#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp3 h SER 2 N 0.00 -0.27 -0.86 1.61 0.02 -2.11 -3.26 113.55 108.68 2cp3 h SER 2 Ca 0.00 -0.26 -0.57 0.00 -0.84 0.00 0.00 61.79 60.12 2cp3 h SER 2 Cb 0.00 0.07 -0.25 0.00 0.14 0.00 0.00 62.40 62.36 2cp3 h SER 2 CO 0.00 0.18 0.74 -1.20 -1.14 0.00 0.00 176.83 175.41 2cp3 n SER 3 N -5.03 7.14 -2.70 3.07 7.64 -1.26 -4.39 113.62 118.08 2cp3 n SER 3 Ca -0.09 -3.58 -0.08 0.00 1.01 0.00 0.00 58.87 56.13 2cp3 n SER 3 Cb 0.26 -0.99 0.08 0.00 -1.01 0.00 0.00 64.21 62.55 2cp3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cp3 n GLY 4 N -0.60 1.45 3.81 0.23 0.00 -1.23 -5.13 105.19 103.72 2cp3 n GLY 4 Ca 0.54 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2cp3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cp3 s SER 5 N -2.04 5.07 0.26 1.61 0.15 -1.26 -4.92 113.70 112.57 2cp3 s SER 5 Ca 0.25 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2cp3 s SER 5 Cb 0.42 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 2cp3 s SER 5 CO -0.03 -0.34 0.00 -1.20 1.20 0.00 0.00 173.24 172.87 2cp3 n SER 6 N -1.30 -2.33 0.00 5.45 7.64 -1.26 -5.08 113.62 116.74 2cp3 n SER 6 Ca -0.02 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2cp3 n SER 6 Cb 0.60 2.36 0.00 0.00 -1.01 0.00 0.00 64.21 66.17 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 -1.47 2.54 3.87 0.23 0.00 -1.26 -5.04 105.19 104.06 2cp3 n GLY 7 Ca 0.00 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 4.23 0.00 0.99 1.43 -1.26 -5.10 118.68 118.97 2cp3 s LEU 8 Ca 0.00 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2cp3 s LEU 8 Cb 0.00 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 42.75 2cp3 s LEU 8 CO 0.00 0.00 0.10 -2.11 0.23 0.00 0.00 176.35 174.57 2cp3 n ARG 9 N 0.16 0.86 -2.41 1.70 0.00 -1.26 -5.06 116.66 110.65 2cp3 n ARG 9 Ca -0.02 -3.26 -0.37 0.00 -0.00 0.00 0.00 57.85 54.21 2cp3 n ARG 9 Cb 0.52 0.74 -0.03 0.00 -0.00 0.00 0.00 32.46 33.69 2cp3 n ARG 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2cp3 s LEU 10 N 0.00 4.13 -0.70 2.89 1.43 -1.26 -4.18 118.68 120.99 2cp3 s LEU 10 Ca 0.07 2.19 -0.01 0.00 -1.03 0.00 0.00 54.13 55.35 2cp3 s LEU 10 Cb -0.01 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 2cp3 s LEU 10 CO 0.05 -0.63 0.66 0.61 0.23 0.00 0.00 176.35 177.26 2cp3 n GLY 11 N 0.47 -1.11 2.77 -3.19 0.00 0.12 -5.00 105.19 99.24 2cp3 n GLY 11 Ca 0.05 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 2cp3 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cp3 s ASP 12 N -2.96 0.41 -0.47 1.61 2.15 -1.25 -4.86 116.67 111.29 2cp3 s ASP 12 Ca 0.06 0.02 -0.28 0.00 0.43 0.00 0.00 52.55 52.78 2cp3 s ASP 12 Cb -0.01 -0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 2cp3 s ASP 12 CO 0.67 -0.14 1.51 -0.60 -0.17 0.00 0.00 175.17 176.44 2cp3 s ARG 13 N 1.26 3.37 0.55 4.34 3.52 -1.26 -1.00 118.95 129.72 2cp3 s ARG 13 Ca -0.07 0.82 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 2cp3 s ARG 13 Cb -0.13 -4.12 0.02 0.00 -1.56 0.00 0.00 34.95 29.17 2cp3 s ARG 13 CO -0.03 -1.83 0.20 0.14 -0.81 0.00 0.00 175.30 172.97 2cp3 s VAL 14 N 6.18 1.25 -0.16 7.11 -7.23 0.02 -3.50 120.40 124.06 2cp3 s VAL 14 Ca 0.62 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2cp3 s VAL 14 Cb -0.14 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.81 2cp3 s VAL 14 CO 0.29 0.00 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.67 2cp3 s LEU 15 N -4.11 2.03 -0.46 1.32 2.96 0.27 -1.92 118.68 118.77 2cp3 s LEU 15 Ca 0.16 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 2cp3 s LEU 15 Cb -0.01 -1.40 0.07 0.00 0.50 0.00 0.00 46.19 45.35 2cp3 s LEU 15 CO 0.10 0.01 0.37 -0.69 -1.32 0.00 0.00 176.35 174.82 2cp3 s VAL 16 N 1.17 5.01 0.00 1.68 1.01 0.37 -2.94 120.40 126.70 2cp3 s VAL 16 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2cp3 s VAL 16 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2cp3 s VAL 16 CO -0.09 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2cp3 n GLY 17 N 5.14 2.95 0.00 4.51 0.00 -1.26 -3.47 105.19 113.05 2cp3 n GLY 17 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.20 1.95 0.82 -0.02 0.00 -1.26 -4.96 105.19 101.52 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 -0.38 0.00 -2.37 2.61 -2.24 -1.26 -5.09 114.28 105.55 2cp3 n THR 19 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 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 -1.60 3.59 -0.11 -0.78 1.02 -1.23 -4.91 119.74 115.72 2cp3 s LYS 20 Ca 0.00 0.91 -0.20 0.00 0.02 0.00 0.00 55.97 56.70 2cp3 s LYS 20 Cb 0.00 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 2cp3 s LYS 20 CO 0.00 -1.55 0.56 0.95 -0.92 0.00 0.00 175.35 174.39 2cp3 s THR 21 N 5.35 5.13 0.02 2.17 -4.23 -1.26 -0.48 115.64 122.34 2cp3 s THR 21 Ca 0.60 1.12 -0.14 0.00 -1.18 0.00 0.00 61.69 62.09 2cp3 s THR 21 Cb -0.13 -3.90 0.02 0.00 1.34 0.00 0.00 72.50 69.83 2cp3 s THR 21 CO 0.32 0.28 0.29 -0.83 -0.54 0.00 0.00 174.62 174.15 2cp3 s GLY 22 N 0.74 -0.12 0.08 3.99 0.00 -0.81 -3.59 107.32 107.62 2cp3 s GLY 22 Ca 0.30 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 2cp3 s GLY 22 CO 0.13 -0.09 0.55 0.14 0.00 0.00 0.00 173.10 173.82 2cp3 s VAL 23 N -1.99 4.80 -0.14 1.40 1.01 -0.75 -0.80 120.40 123.93 2cp3 s VAL 23 Ca -0.09 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 2cp3 s VAL 23 Cb -0.03 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2cp3 s VAL 23 CO 0.00 0.48 1.24 -0.69 0.00 0.00 0.00 175.10 176.14 2cp3 s VAL 24 N -1.20 4.28 -0.10 2.92 1.01 -0.17 0.48 120.40 127.62 2cp3 s VAL 24 Ca 0.31 1.56 0.10 0.00 0.00 0.00 0.00 61.98 63.95 2cp3 s VAL 24 Cb -0.18 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 2cp3 s VAL 24 CO 0.18 -0.11 0.05 0.54 0.00 0.00 0.00 175.10 175.77 2cp3 n ARG 25 N 6.28 2.09 -4.86 2.72 5.12 0.12 -0.71 116.66 127.42 2cp3 n ARG 25 Ca 0.13 -0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.77 2cp3 n ARG 25 Cb 0.45 -1.28 -0.16 0.00 -1.16 0.00 0.00 32.46 30.31 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 -2.30 1.86 -0.04 -1.55 5.04 -1.14 -4.89 117.35 114.33 2cp3 s TYR 26 Ca -0.05 -0.65 -0.01 0.00 -2.44 0.00 0.00 57.07 53.91 2cp3 s TYR 26 Cb 0.04 -1.28 0.03 0.00 0.35 0.00 0.00 41.96 41.10 2cp3 s TYR 26 CO 0.44 -0.27 0.05 0.08 -1.34 0.00 0.00 175.55 174.52 2cp3 s VAL 27 N 0.33 -0.10 -5.00 3.14 1.01 -1.26 0.47 120.40 118.99 2cp3 s VAL 27 Ca -0.11 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2cp3 s VAL 27 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2cp3 s VAL 27 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2cp3 n GLY 28 N 5.00 0.95 3.52 4.51 0.00 -1.09 -5.07 105.19 113.01 2cp3 n GLY 28 Ca -0.10 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.17 -0.64 0.30 1.61 0.41 -1.26 -2.75 118.70 115.19 2cp3 s GLU 29 Ca 0.00 0.87 0.01 0.00 -0.41 0.00 0.00 54.97 55.44 2cp3 s GLU 29 Cb 0.00 -1.58 -0.00 0.00 -1.78 0.00 0.00 34.13 30.76 2cp3 s GLU 29 CO 0.00 -3.55 0.04 0.25 -0.49 0.00 0.00 175.26 171.51 2cp3 n THR 30 N -4.80 0.00 -0.06 3.63 -2.24 -1.26 -4.83 114.28 104.73 2cp3 n THR 30 Ca 0.04 -1.53 -0.07 0.00 -2.27 0.00 0.00 64.05 60.22 2cp3 n THR 30 Cb 0.54 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.43 2.87 0.01 3.42 -0.08 -1.26 -4.68 116.55 115.40 2cp3 n ASP 31 Ca -0.09 -0.04 -0.18 0.00 -1.51 0.00 0.00 54.79 52.97 2cp3 n ASP 31 Cb 0.40 0.20 -0.11 0.00 2.34 0.00 0.00 41.12 43.95 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 0.66 -4.51 -0.67 -5.15 -1.98 -3.47 116.94 101.83 2cp3 h PHE 32 Ca -0.27 -0.37 -0.16 0.00 -0.20 0.00 0.00 57.97 56.97 2cp3 h PHE 32 Cb 1.50 -0.07 -0.01 0.00 0.22 0.00 0.00 35.95 37.58 2cp3 h PHE 32 CO 0.01 1.19 -0.08 0.00 -2.00 0.00 0.00 178.31 177.44 2cp3 n ALA 33 N -2.60 0.23 -2.39 12.09 0.00 -1.26 -5.16 120.51 121.42 2cp3 n ALA 33 Ca -0.11 -0.61 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 2cp3 n ALA 33 Cb 0.71 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.31 2cp3 n ALA 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cp3 s LYS 34 N -2.62 1.52 1.85 0.00 2.20 -1.26 -4.46 119.74 116.97 2cp3 s LYS 34 Ca 0.08 -1.82 0.00 0.00 -0.36 0.00 0.00 55.97 53.87 2cp3 s LYS 34 Cb -0.01 -0.68 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 2cp3 s LYS 34 CO 0.05 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 2cp3 n GLY 35 N -0.57 1.22 3.62 5.54 0.00 -1.26 -4.86 105.19 108.89 2cp3 n GLY 35 Ca -0.02 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2cp3 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cp3 s GLU 36 N 0.00 0.74 0.10 1.61 2.12 -1.26 -4.61 118.70 117.40 2cp3 s GLU 36 Ca 0.00 1.13 0.05 0.00 0.36 0.00 0.00 54.97 56.51 2cp3 s GLU 36 Cb 0.00 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 2cp3 s GLU 36 CO 0.00 -0.13 -0.13 -1.58 -0.54 0.00 0.00 175.26 172.88 2cp3 s TRP 37 N 1.17 1.22 -0.15 5.30 0.52 -1.11 -2.76 118.94 123.13 2cp3 s TRP 37 Ca -0.06 -0.57 -0.01 0.00 0.02 0.00 0.00 56.10 55.48 2cp3 s TRP 37 Cb -0.05 -0.66 0.04 0.00 -1.15 0.00 0.00 33.47 31.65 2cp3 s TRP 37 CO -0.12 0.07 -0.02 0.00 0.02 0.00 0.00 176.95 176.90 2cp3 s GLY 39 N 1.75 1.36 -0.19 0.00 0.00 0.18 -2.82 107.32 107.60 2cp3 s GLY 39 Ca 0.01 0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.94 2cp3 s GLY 39 CO -0.07 2.71 0.00 0.14 0.00 0.00 0.00 173.10 175.88 2cp3 s VAL 40 N 4.53 4.05 -0.54 1.40 1.01 0.24 0.12 120.40 131.21 2cp3 s VAL 40 Ca 0.61 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 2cp3 s VAL 40 Cb -0.20 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.44 2cp3 s VAL 40 CO 0.24 0.44 0.64 -0.70 0.00 0.00 0.00 175.10 175.73 2cp3 s GLU 41 N 0.80 3.07 0.58 2.72 2.12 0.18 0.00 118.70 128.17 2cp3 s GLU 41 Ca 0.00 -1.14 -0.15 0.00 0.36 0.00 0.00 54.97 54.04 2cp3 s GLU 41 Cb -0.14 -4.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.02 2cp3 s GLU 41 CO 0.02 -1.35 1.03 -0.51 -0.54 0.00 0.00 175.26 173.91 2cp3 s LEU 42 N 2.56 3.49 -0.01 2.70 1.43 0.07 -1.80 118.68 127.11 2cp3 s LEU 42 Ca 0.12 1.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.71 2cp3 s LEU 42 Cb -0.22 -4.52 -0.32 0.00 0.03 0.00 0.00 46.19 41.16 2cp3 s LEU 42 CO 0.09 -0.97 0.96 0.44 0.23 0.00 0.00 176.35 177.09 2cp3 h ASP 43 N 0.45 0.62 -3.84 2.29 3.32 -1.88 -3.45 116.42 113.92 2cp3 h ASP 43 Ca -0.46 -0.92 -0.48 0.00 0.02 0.00 0.00 57.03 55.19 2cp3 h ASP 43 Cb 1.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2cp3 h ASP 43 CO 0.59 1.49 0.18 -1.61 -1.72 0.00 0.00 179.24 178.17 2cp3 s GLU 44 N -2.57 4.04 -0.92 3.56 0.41 -1.26 -4.94 118.70 117.02 2cp3 s GLU 44 Ca -0.12 0.79 -0.09 0.00 -0.41 0.00 0.00 54.97 55.14 2cp3 s GLU 44 Cb 0.02 -2.34 -0.07 0.00 -1.78 0.00 0.00 34.13 29.96 2cp3 s GLU 44 CO 0.87 0.06 2.10 -0.35 -0.49 0.00 0.00 175.26 177.45 2cp3 n PRO 45 N -0.60 2.03 -0.61 0.39 -0.04 -1.26 -4.30 135.00 130.61 2cp3 n PRO 45 Ca 0.05 -1.57 0.06 0.00 -0.04 0.00 0.00 63.50 62.00 2cp3 n PRO 45 Cb 0.53 -2.56 0.18 0.00 -0.04 0.00 0.00 33.50 31.61 2cp3 n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cp3 n LEU 46 N 4.84 2.47 0.00 1.53 4.77 -1.17 -4.98 117.00 124.46 2cp3 n LEU 46 Ca 0.46 -3.58 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 2cp3 n LEU 46 Cb 0.19 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2cp3 n LEU 46 CO 0.77 1.22 0.00 0.61 -1.33 0.00 0.00 177.39 178.66 2cp3 n GLY 47 N -1.00 1.20 0.05 -0.72 0.00 -0.97 -4.97 105.19 98.78 2cp3 n GLY 47 Ca 0.17 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 2cp3 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cp3 n LYS 48 N -0.88 2.19 -3.86 1.61 5.02 -1.25 -4.76 118.16 116.23 2cp3 n LYS 48 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.26 2cp3 n LYS 48 Cb 0.00 -1.25 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 2cp3 n LYS 48 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cp3 s ASN 49 N -4.29 -0.02 -1.15 4.39 4.22 -1.21 -4.71 114.94 112.16 2cp3 s ASN 49 Ca -0.06 -0.69 -0.06 0.00 -2.14 0.00 0.00 52.86 49.92 2cp3 s ASN 49 Cb 0.03 0.53 0.07 0.00 1.28 0.00 0.00 41.25 43.16 2cp3 s ASN 49 CO 0.38 -1.04 2.57 -0.90 -2.04 0.00 0.00 177.10 176.06 2cp3 n ASP 50 N -1.15 7.75 -2.20 3.54 5.68 -1.26 -1.57 116.55 127.34 2cp3 n ASP 50 Ca -0.04 -3.07 -0.20 0.00 -0.50 0.00 0.00 54.79 50.99 2cp3 n ASP 50 Cb 0.60 -1.36 -0.03 0.00 -1.14 0.00 0.00 41.12 39.19 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 1.80 0.10 2.95 6.12 0.00 -1.25 -4.39 105.19 110.51 2cp3 n GLY 51 Ca 0.61 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.91 1.52 -0.27 4.61 0.00 -1.26 -2.71 121.76 120.74 2cp3 s ALA 52 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 2cp3 s ALA 52 Cb 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2cp3 s ALA 52 CO 0.00 -0.41 0.05 0.08 0.00 0.00 0.00 175.76 175.49 2cp3 s VAL 53 N 1.63 3.90 -1.70 0.00 1.01 0.39 -4.51 120.40 121.12 2cp3 s VAL 53 Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2cp3 s VAL 53 Cb -0.13 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2cp3 s VAL 53 CO -0.09 0.20 0.09 0.00 0.00 0.00 0.00 175.10 175.30 2cp3 n ALA 54 N 4.86 -0.65 0.00 5.51 0.00 -1.26 -1.56 120.51 127.41 2cp3 n ALA 54 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2cp3 n ALA 54 Cb 0.49 -2.40 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 -1.09 3.00 3.61 0.00 0.00 -1.26 -5.01 105.19 104.42 2cp3 n GLY 55 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.53 3.92 -0.18 2.61 2.01 -0.60 -4.99 115.64 115.88 2cp3 s THR 56 Ca 0.00 0.96 -0.06 0.00 0.31 0.00 0.00 61.69 62.90 2cp3 s THR 56 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2cp3 s THR 56 CO 0.00 -0.69 0.02 -0.60 -0.69 0.00 0.00 174.62 172.65 2cp3 s ARG 57 N 4.84 3.79 -0.20 4.92 3.52 -1.26 -0.46 118.95 134.10 2cp3 s ARG 57 Ca 0.61 -0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 55.63 2cp3 s ARG 57 Cb -0.15 -3.09 -0.20 0.00 -1.56 0.00 0.00 34.95 29.96 2cp3 s ARG 57 CO 0.31 0.20 0.11 0.66 -0.81 0.00 0.00 175.30 175.77 2cp3 n TYR 58 N 3.71 0.81 -4.61 5.12 4.01 -1.10 -4.96 117.16 120.14 2cp3 n TYR 58 Ca -0.17 0.27 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 2cp3 n TYR 58 Cb 0.52 -1.09 -0.15 0.00 -0.31 0.00 0.00 39.34 38.31 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 -2.46 1.24 0.19 -0.72 -0.71 -1.26 -5.10 117.98 109.17 2cp3 s PHE 59 Ca -0.29 -0.25 -0.30 0.00 -1.04 0.00 0.00 56.93 55.05 2cp3 s PHE 59 Cb 0.08 -0.79 -0.08 0.00 -1.21 0.00 0.00 43.02 41.01 2cp3 s PHE 59 CO 0.63 -0.01 1.25 -1.14 -1.34 0.00 0.00 175.22 174.60 2cp3 s GLN 60 N -0.41 4.44 0.02 1.99 2.00 -1.26 -4.63 119.66 121.80 2cp3 s GLN 60 Ca 0.05 1.96 -0.29 0.00 -2.00 0.00 0.00 55.36 55.08 2cp3 s GLN 60 Cb -0.06 -3.22 0.10 0.00 0.80 0.00 0.00 33.01 30.64 2cp3 s GLN 60 CO -0.00 -0.17 1.11 0.00 -0.50 0.00 0.00 175.29 175.73 2cp3 s PRO 62 N -2.81 2.32 0.43 0.00 0.04 -1.26 -4.77 135.00 128.95 2cp3 s PRO 62 Ca 0.12 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 2cp3 s PRO 62 Cb 0.01 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 2cp3 s PRO 62 CO -0.03 -1.52 1.11 -1.25 0.04 0.00 0.00 177.00 175.36 2cp3 s PRO 63 N -5.04 3.97 -1.36 0.56 0.04 -1.26 -3.50 135.00 128.41 2cp3 s PRO 63 Ca 0.60 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 2cp3 s PRO 63 Cb -0.15 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2cp3 s PRO 63 CO 0.55 -0.34 0.85 1.63 0.04 0.00 0.00 177.00 179.74 2cp3 n LYS 64 N -0.25 -6.11 0.00 4.56 4.01 -1.25 -4.85 118.16 114.27 2cp3 n LYS 64 Ca 0.06 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.67 2cp3 n LYS 64 Cb 0.49 -5.63 0.00 0.00 -0.51 0.00 0.00 35.03 29.38 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 -4.66 0.00 -2.66 2.13 3.01 -1.22 -2.28 117.46 111.78 2cp3 n PHE 65 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 2cp3 n PHE 65 Cb 0.58 0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 40.23 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 -4.42 2.29 -0.04 1.37 0.00 -0.61 -0.75 107.32 105.16 2cp3 s GLY 66 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.16 2cp3 s GLY 66 CO 0.00 1.97 -0.21 -2.27 0.00 0.00 0.00 173.10 172.59 2cp3 s LEU 67 N 2.11 2.00 -0.45 0.66 2.96 0.10 -3.35 118.68 122.70 2cp3 s LEU 67 Ca 0.49 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 2cp3 s LEU 67 Cb -0.19 -1.13 0.09 0.00 0.50 0.00 0.00 46.19 45.46 2cp3 s LEU 67 CO 0.18 0.21 0.33 -0.36 -1.32 0.00 0.00 176.35 175.39 2cp3 s PHE 68 N -0.18 3.32 0.08 5.38 0.08 -1.26 0.82 117.98 126.22 2cp3 s PHE 68 Ca -0.00 -1.41 0.09 0.00 0.12 0.00 0.00 56.93 55.72 2cp3 s PHE 68 Cb -0.11 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 2cp3 s PHE 68 CO 0.02 -0.88 -0.23 0.00 -0.10 0.00 0.00 175.22 174.03 2cp3 s ALA 69 N 1.49 1.97 0.57 5.36 0.00 -1.13 -4.93 121.76 125.09 2cp3 s ALA 69 Ca 0.04 -1.22 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2cp3 s ALA 69 Cb -0.25 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 2cp3 s ALA 69 CO 0.03 0.44 0.99 -2.30 0.00 0.00 0.00 175.76 174.92 2cp3 n PRO 70 N 1.45 1.04 -0.15 0.00 -0.02 -1.26 -0.48 135.00 135.58 2cp3 n PRO 70 Ca -0.18 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.65 2cp3 n PRO 70 Cb 0.53 -2.17 0.05 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.74 0.92 0.00 4.25 2.10 -1.82 -0.41 117.51 123.29 2cp3 h ILE 71 Ca -0.48 -0.14 -0.01 0.00 1.08 0.00 0.00 64.86 65.30 2cp3 h ILE 71 Cb 1.35 0.46 -0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2cp3 h ILE 71 CO 0.52 0.08 -0.06 1.12 -1.08 0.00 0.00 178.15 178.73 2cp3 h HIS 72 N 0.42 0.00 0.00 2.19 2.07 -1.91 -1.10 115.15 116.82 2cp3 h HIS 72 Ca 0.21 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.61 2cp3 h HIS 72 Cb 0.16 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.12 2cp3 h HIS 72 CO -0.12 0.06 -0.59 0.87 -3.07 0.00 0.00 177.93 175.08 2cp3 h LYS 73 N 0.00 0.00 -6.94 5.12 1.79 -1.45 -3.45 116.57 111.63 2cp3 h LYS 73 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2cp3 h LYS 73 Cb 0.14 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.84 2cp3 h LYS 73 CO 0.01 0.59 0.50 0.08 -1.08 0.00 0.00 179.45 179.55 2cp3 s VAL 74 N -2.98 3.18 -0.11 0.50 1.01 -0.42 -4.68 120.40 116.91 2cp3 s VAL 74 Ca 0.03 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 2cp3 s VAL 74 Cb 0.08 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2cp3 s VAL 74 CO 0.75 0.08 -0.04 -0.63 0.00 0.00 0.00 175.10 175.26 2cp3 s ILE 75 N -1.43 0.80 -0.20 2.22 -1.09 -1.15 -4.96 121.20 115.39 2cp3 s ILE 75 Ca 0.57 -0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 58.49 2cp3 s ILE 75 Cb -0.30 -0.91 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 2cp3 s ILE 75 CO 0.38 0.27 1.08 -0.60 -1.23 0.00 0.00 174.94 174.84 2cp3 s ARG 76 N 1.79 4.28 -0.58 2.79 3.52 -1.26 0.96 118.95 130.45 2cp3 s ARG 76 Ca 0.04 1.43 0.05 0.00 -0.13 0.00 0.00 55.73 57.12 2cp3 s ARG 76 Cb -0.13 -3.65 0.20 0.00 -1.56 0.00 0.00 34.95 29.81 2cp3 s ARG 76 CO -0.07 -0.60 0.52 0.44 -0.81 0.00 0.00 175.30 174.78 2cp3 n ILE 77 N 5.20 0.80 -3.16 4.11 -5.35 -1.23 -4.95 119.36 114.78 2cp3 n ILE 77 Ca 0.12 -4.48 -0.44 0.00 -0.27 0.00 0.00 62.75 57.68 2cp3 n ILE 77 Cb 0.46 -2.01 -0.06 0.00 -1.74 0.00 0.00 39.64 36.29 2cp3 n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2cp3 s GLY 78 N -1.28 1.79 0.02 3.28 0.00 -1.26 -4.90 107.32 104.96 2cp3 s GLY 78 Ca 0.32 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.21 2cp3 s GLY 78 CO -0.13 1.47 -0.04 -0.45 0.00 0.00 0.00 173.10 173.94 2cp3 s SER 79 N 2.82 0.37 0.00 1.64 0.15 -1.26 -5.09 113.70 112.33 2cp3 s SER 79 Ca 0.14 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2cp3 s SER 79 Cb -0.20 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2cp3 s SER 79 CO 0.11 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2cp3 n GLY 80 N 1.65 -0.47 3.57 9.45 0.00 -1.26 -5.10 105.19 113.03 2cp3 n GLY 80 Ca -0.23 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.95 0.11 1.61 0.04 -1.26 -4.66 135.00 133.78 2cp3 s PRO 81 Ca 0.00 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2cp3 s PRO 81 Cb 0.00 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2cp3 s PRO 81 CO 0.00 -2.34 0.00 -1.13 0.04 0.00 0.00 177.00 173.57 2cp3 n SER 82 N 11.55 0.18 -4.30 6.66 3.41 -1.26 -5.12 113.62 124.74 2cp3 n SER 82 Ca 0.20 0.19 -0.18 0.00 -0.26 0.00 0.00 58.87 58.82 2cp3 n SER 82 Cb 0.50 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.41 2cp3 n SER 82 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cp3 s SER 83 N -5.21 2.30 0.00 4.04 0.15 -1.26 -5.37 113.70 108.34 2cp3 s SER 83 Ca 0.00 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2cp3 s SER 83 Cb 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2cp3 s SER 83 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88