#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp3 n SER 2 N 0.00 2.30 -4.51 1.61 3.41 -1.26 -5.05 113.62 110.11 2cp3 n SER 2 Ca 0.00 -2.57 -0.42 0.00 -0.26 0.00 0.00 58.87 55.62 2cp3 n SER 2 Cb 0.00 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 2cp3 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cp3 s SER 3 N -4.02 6.19 0.00 4.04 0.01 -1.26 -4.58 113.70 114.08 2cp3 s SER 3 Ca 0.39 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2cp3 s SER 3 Cb -0.03 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2cp3 s SER 3 CO 0.25 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.86 2cp3 n GLY 4 N 5.33 -0.32 2.07 3.44 0.00 -1.26 -5.10 105.19 109.35 2cp3 n GLY 4 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2cp3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cp3 n SER 5 N 0.00 -1.33 -4.80 1.61 7.64 -1.26 -5.15 113.62 110.32 2cp3 n SER 5 Ca 0.00 0.37 -0.32 0.00 1.01 0.00 0.00 58.87 59.93 2cp3 n SER 5 Cb 0.00 1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 64.58 2cp3 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cp3 s SER 6 N -3.16 4.25 0.00 6.43 0.01 -1.26 -5.12 113.70 114.85 2cp3 s SER 6 Ca 0.00 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.68 2cp3 s SER 6 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2cp3 s SER 6 CO 0.00 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2cp3 n GLY 7 N -1.39 2.45 3.98 3.44 0.00 -1.26 -5.17 105.19 107.23 2cp3 n GLY 7 Ca -0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 3.50 0.39 0.99 1.43 -1.26 -5.12 118.68 118.60 2cp3 s LEU 8 Ca 0.00 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 2cp3 s LEU 8 Cb 0.00 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2cp3 s LEU 8 CO 0.00 -0.91 0.30 -0.13 0.23 0.00 0.00 176.35 175.84 2cp3 s ARG 9 N -4.57 2.50 -0.63 1.70 1.81 -1.26 -4.98 118.95 113.51 2cp3 s ARG 9 Ca 0.54 -1.55 -0.25 0.00 -1.72 0.00 0.00 55.73 52.75 2cp3 s ARG 9 Cb -0.10 -2.30 0.04 0.00 -0.45 0.00 0.00 34.95 32.14 2cp3 s ARG 9 CO 0.36 -0.09 1.09 -0.51 -0.68 0.00 0.00 175.30 175.47 2cp3 s LEU 10 N -4.03 3.79 0.00 2.53 1.43 -1.26 -4.11 118.68 117.02 2cp3 s LEU 10 Ca 0.44 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2cp3 s LEU 10 Cb -0.02 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2cp3 s LEU 10 CO 0.26 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.96 2cp3 n GLY 11 N 5.22 0.70 3.08 -3.19 0.00 0.05 -5.02 105.19 106.04 2cp3 n GLY 11 Ca 0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.10 1.32 -0.65 1.61 1.11 -1.25 -4.84 116.67 112.86 2cp3 s ASP 12 Ca 0.00 -0.33 -0.27 0.00 0.18 0.00 0.00 52.55 52.13 2cp3 s ASP 12 Cb 0.00 -0.10 0.03 0.00 1.07 0.00 0.00 42.92 43.92 2cp3 s ASP 12 CO 0.00 0.05 1.20 -0.13 1.18 0.00 0.00 175.17 177.47 2cp3 s ARG 13 N -0.75 3.35 0.11 8.23 0.52 -1.26 0.26 118.95 129.40 2cp3 s ARG 13 Ca 0.01 -0.04 0.10 0.00 -0.52 0.00 0.00 55.73 55.29 2cp3 s ARG 13 Cb -0.06 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 2cp3 s ARG 13 CO 0.00 -1.87 -0.27 0.14 0.02 0.00 0.00 175.30 173.32 2cp3 s VAL 14 N 5.18 2.22 -0.23 3.52 -7.23 -0.60 -2.75 120.40 120.51 2cp3 s VAL 14 Ca 0.38 -1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 58.70 2cp3 s VAL 14 Cb -0.08 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2cp3 s VAL 14 CO 0.20 0.16 0.57 -0.22 -0.31 0.00 0.00 175.10 175.50 2cp3 s LEU 15 N -1.83 4.10 -0.35 1.32 2.96 0.60 -2.49 118.68 122.99 2cp3 s LEU 15 Ca 0.13 0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 54.63 2cp3 s LEU 15 Cb -0.10 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.84 2cp3 s LEU 15 CO 0.05 -0.27 0.17 -0.69 -1.32 0.00 0.00 176.35 174.29 2cp3 s VAL 16 N 2.05 4.43 0.00 1.68 1.01 -0.52 -2.83 120.40 126.23 2cp3 s VAL 16 Ca 0.25 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2cp3 s VAL 16 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2cp3 s VAL 16 CO 0.09 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2cp3 n GLY 17 N 4.96 3.01 0.00 4.51 0.00 -1.26 -3.43 105.19 112.98 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 -0.40 1.86 0.38 -0.02 0.00 -1.26 -4.92 105.19 100.83 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 -0.37 0.00 0.00 0.00 173.32 172.95 2cp3 n THR 19 N -0.84 0.00 -2.51 2.61 5.66 -1.26 -5.10 114.28 112.84 2cp3 n THR 19 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2cp3 n THR 19 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2cp3 s LYS 20 N -1.34 3.98 -0.14 1.09 1.02 -1.22 -4.95 119.74 118.18 2cp3 s LYS 20 Ca 0.00 1.18 -0.21 0.00 0.02 0.00 0.00 55.97 56.96 2cp3 s LYS 20 Cb 0.00 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2cp3 s LYS 20 CO 0.00 -1.03 0.61 0.95 -0.92 0.00 0.00 175.35 174.96 2cp3 s THR 21 N 4.06 5.07 -0.04 2.17 -4.23 -1.26 -1.43 115.64 119.98 2cp3 s THR 21 Ca 0.52 1.20 -0.18 0.00 -1.18 0.00 0.00 61.69 62.05 2cp3 s THR 21 Cb -0.15 -3.94 0.04 0.00 1.34 0.00 0.00 72.50 69.79 2cp3 s THR 21 CO 0.20 0.20 0.41 -0.83 -0.54 0.00 0.00 174.62 174.06 2cp3 s GLY 22 N 0.94 -0.27 0.19 3.99 0.00 -1.04 -2.60 107.32 108.54 2cp3 s GLY 22 Ca 0.31 0.65 -0.14 0.00 0.00 0.00 0.00 44.72 45.53 2cp3 s GLY 22 CO 0.12 0.41 0.58 0.14 0.00 0.00 0.00 173.10 174.36 2cp3 s VAL 23 N -1.12 4.83 -0.08 1.40 1.01 0.16 -1.56 120.40 125.03 2cp3 s VAL 23 Ca -0.11 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2cp3 s VAL 23 Cb -0.04 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2cp3 s VAL 23 CO 0.05 0.14 1.43 -0.69 0.00 0.00 0.00 175.10 176.04 2cp3 s VAL 24 N -1.58 3.88 -0.14 2.92 1.01 0.14 0.25 120.40 126.88 2cp3 s VAL 24 Ca 0.42 1.13 0.12 0.00 0.00 0.00 0.00 61.98 63.65 2cp3 s VAL 24 Cb -0.14 -3.73 -0.17 0.00 0.00 0.00 0.00 36.38 32.34 2cp3 s VAL 24 CO 0.20 -0.07 0.04 0.54 0.00 0.00 0.00 175.10 175.80 2cp3 n ARG 25 N 6.43 1.66 -3.94 2.72 5.12 0.17 -0.77 116.66 128.05 2cp3 n ARG 25 Ca 0.15 -0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 2cp3 n ARG 25 Cb 0.44 -1.36 -0.13 0.00 -1.16 0.00 0.00 32.46 30.25 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 -2.34 0.13 -0.04 -1.55 5.04 -0.68 -4.86 117.35 113.05 2cp3 s TYR 26 Ca -0.08 -0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2cp3 s TYR 26 Cb 0.04 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.30 2cp3 s TYR 26 CO 0.56 -0.04 0.08 0.08 -1.34 0.00 0.00 175.55 174.90 2cp3 s VAL 27 N -0.32 -0.06 -5.00 3.14 1.01 -1.26 0.05 120.40 117.96 2cp3 s VAL 27 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2cp3 s VAL 27 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.20 2cp3 s VAL 27 CO -0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2cp3 n GLY 28 N 4.24 0.23 3.74 4.51 0.00 -1.01 -5.04 105.19 111.86 2cp3 n GLY 28 Ca -0.27 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.00 2.85 0.63 1.61 2.02 -1.26 -0.91 118.70 121.63 2cp3 s GLU 29 Ca 0.00 -0.64 0.06 0.00 0.02 0.00 0.00 54.97 54.41 2cp3 s GLU 29 Cb 0.00 -2.71 0.10 0.00 0.10 0.00 0.00 34.13 31.62 2cp3 s GLU 29 CO 0.00 0.60 0.86 0.95 0.02 0.00 0.00 175.26 177.69 2cp3 s THR 30 N -1.25 2.14 -0.10 3.63 -4.23 -1.26 -4.90 115.64 109.67 2cp3 s THR 30 Ca 0.25 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2cp3 s THR 30 Cb -0.12 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.36 2cp3 s THR 30 CO 0.17 0.00 -0.04 -0.67 -0.54 0.00 0.00 174.62 173.53 2cp3 n ASP 31 N -2.45 3.07 -0.05 3.99 2.03 -1.26 -4.65 116.55 117.23 2cp3 n ASP 31 Ca 0.16 -0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.29 2cp3 n ASP 31 Cb 0.61 0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 41.18 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2cp3 h PHE 32 N 0.00 1.02 -3.73 -0.67 -0.00 -1.97 -3.43 116.94 108.15 2cp3 h PHE 32 Ca -0.23 -0.39 -0.68 0.00 -0.00 0.00 0.00 57.97 56.67 2cp3 h PHE 32 Cb 1.43 -0.18 -0.28 0.00 -0.00 0.00 0.00 35.95 36.92 2cp3 h PHE 32 CO 0.01 1.21 -0.82 0.00 -0.00 0.00 0.00 178.31 178.71 2cp3 s ALA 33 N -3.98 2.44 0.55 12.09 0.00 -1.26 -5.12 121.76 126.49 2cp3 s ALA 33 Ca -0.10 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 2cp3 s ALA 33 Cb 0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2cp3 s ALA 33 CO 0.89 0.39 1.08 0.15 0.00 0.00 0.00 175.76 178.26 2cp3 s LYS 34 N -0.09 3.41 0.00 0.00 -0.14 -1.26 -4.27 119.74 117.39 2cp3 s LYS 34 Ca -0.04 1.39 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 2cp3 s LYS 34 Cb -0.14 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 2cp3 s LYS 34 CO 0.04 -0.76 0.00 0.41 -0.76 0.00 0.00 175.35 174.28 2cp3 n GLY 35 N -0.38 -1.74 3.75 -3.33 0.00 -1.26 -4.98 105.19 97.25 2cp3 n GLY 35 Ca 0.10 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 3.01 0.05 1.61 8.01 -1.26 -4.05 118.70 126.06 2cp3 s GLU 36 Ca 0.00 -0.48 -0.01 0.00 0.01 0.00 0.00 54.97 54.49 2cp3 s GLU 36 Cb 0.00 -2.83 -0.04 0.00 -4.31 0.00 0.00 34.13 26.96 2cp3 s GLU 36 CO 0.00 0.66 -0.03 -1.58 0.01 0.00 0.00 175.26 174.32 2cp3 s TRP 37 N -1.11 0.48 -0.05 1.61 0.52 -0.09 -2.99 118.94 117.31 2cp3 s TRP 37 Ca 0.20 -0.98 -0.02 0.00 0.02 0.00 0.00 56.10 55.32 2cp3 s TRP 37 Cb -0.12 -0.36 0.03 0.00 -1.15 0.00 0.00 33.47 31.88 2cp3 s TRP 37 CO 0.11 -0.35 0.08 0.00 0.02 0.00 0.00 176.95 176.81 2cp3 s GLY 39 N 2.19 1.39 -0.22 0.00 0.00 0.11 -2.35 107.32 108.44 2cp3 s GLY 39 Ca 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 2cp3 s GLY 39 CO -0.04 2.27 -0.05 0.14 0.00 0.00 0.00 173.10 175.42 2cp3 s VAL 40 N 4.12 3.32 -0.24 1.40 1.01 -0.30 0.41 120.40 130.14 2cp3 s VAL 40 Ca 0.44 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 2cp3 s VAL 40 Cb -0.09 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2cp3 s VAL 40 CO 0.28 0.42 0.50 -0.70 0.00 0.00 0.00 175.10 175.60 2cp3 s GLU 41 N 1.47 4.12 0.89 2.72 -6.30 0.14 -1.20 118.70 120.53 2cp3 s GLU 41 Ca 0.06 0.33 -0.13 0.00 -2.50 0.00 0.00 54.97 52.72 2cp3 s GLU 41 Cb -0.14 -3.61 0.13 0.00 0.00 0.00 0.00 34.13 30.51 2cp3 s GLU 41 CO -0.04 -0.25 1.19 -0.51 0.02 0.00 0.00 175.26 175.68 2cp3 s LEU 42 N 1.98 2.32 -0.17 2.70 1.43 0.17 0.37 118.68 127.48 2cp3 s LEU 42 Ca 0.22 0.72 0.14 0.00 -1.03 0.00 0.00 54.13 54.17 2cp3 s LEU 42 Cb -0.15 -3.03 -0.24 0.00 0.03 0.00 0.00 46.19 42.80 2cp3 s LEU 42 CO 0.09 -2.38 0.19 0.47 0.23 0.00 0.00 176.35 174.96 2cp3 n ASP 43 N -3.61 0.53 -4.74 2.29 8.00 -1.07 -4.83 116.55 113.12 2cp3 n ASP 43 Ca 0.09 0.09 -0.26 0.00 0.71 0.00 0.00 54.79 55.43 2cp3 n ASP 43 Cb 0.60 0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 42.13 2cp3 n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2cp3 s GLU 44 N -2.52 2.67 -1.07 -1.24 0.41 -1.26 -5.02 118.70 110.67 2cp3 s GLU 44 Ca -0.12 -0.99 -0.24 0.00 -0.41 0.00 0.00 54.97 53.21 2cp3 s GLU 44 Cb 0.07 -2.51 -0.16 0.00 -1.78 0.00 0.00 34.13 29.75 2cp3 s GLU 44 CO 0.80 0.47 1.97 -0.35 -0.49 0.00 0.00 175.26 177.66 2cp3 n PRO 45 N -0.26 1.05 -1.61 0.39 -0.04 -1.26 -4.44 135.00 128.83 2cp3 n PRO 45 Ca -0.09 -2.12 0.03 0.00 -0.04 0.00 0.00 63.50 61.29 2cp3 n PRO 45 Cb 0.55 -3.68 0.03 0.00 -0.04 0.00 0.00 33.50 30.36 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 15.39 1.20 0.00 1.53 4.77 -1.20 -5.05 117.00 133.64 2cp3 n LEU 46 Ca 0.44 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 2cp3 n LEU 46 Cb 0.46 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2cp3 n LEU 46 CO 0.70 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 2cp3 n GLY 47 N 0.26 3.63 0.16 -0.72 0.00 -1.13 -5.00 105.19 102.39 2cp3 n GLY 47 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2cp3 n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cp3 n LYS 48 N 0.00 0.00 -2.45 1.61 2.85 -1.26 -4.77 118.16 114.13 2cp3 n LYS 48 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2cp3 n LYS 48 Cb 0.00 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.49 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 -1.17 4.32 -0.28 -5.58 0.01 -1.07 -4.02 114.94 107.15 2cp3 s ASN 49 Ca 0.00 -0.14 0.20 0.00 -0.71 0.00 0.00 52.86 52.21 2cp3 s ASN 49 Cb 0.00 -0.27 0.49 0.00 0.41 0.00 0.00 41.25 41.88 2cp3 s ASN 49 CO 0.00 -1.88 1.09 -0.90 -1.51 0.00 0.00 177.10 173.90 2cp3 n ASP 50 N -2.92 1.90 -2.27 -1.22 5.75 -1.25 -2.67 116.55 113.87 2cp3 n ASP 50 Ca 0.13 -2.34 -0.20 0.00 -0.01 0.00 0.00 54.79 52.37 2cp3 n ASP 50 Cb 0.60 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.50 -0.10 2.87 6.12 0.00 -1.26 -4.09 105.19 108.22 2cp3 n GLY 51 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.98 -0.10 -0.05 4.61 0.00 -1.26 -2.51 121.76 119.48 2cp3 s ALA 52 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2cp3 s ALA 52 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2cp3 s ALA 52 CO 0.00 -0.10 -0.04 0.08 0.00 0.00 0.00 175.76 175.69 2cp3 s VAL 53 N 0.84 0.56 -1.87 0.00 1.01 -0.51 -4.78 120.40 115.64 2cp3 s VAL 53 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2cp3 s VAL 53 Cb -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2cp3 s VAL 53 CO -0.03 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.30 2cp3 n ALA 54 N 4.14 -0.52 0.00 5.51 0.00 -1.26 -1.38 120.51 126.99 2cp3 n ALA 54 Ca -0.23 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2cp3 n ALA 54 Cb 0.51 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.79 2.88 3.59 0.00 0.00 -1.26 -5.00 105.19 104.61 2cp3 n GLY 55 Ca -0.23 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.30 3.83 -0.56 2.61 2.01 -0.48 -4.97 115.64 115.78 2cp3 s THR 56 Ca 0.00 0.80 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 2cp3 s THR 56 Cb 0.00 -4.25 0.12 0.00 0.01 0.00 0.00 72.50 68.38 2cp3 s THR 56 CO 0.00 -0.88 0.58 -0.60 -0.69 0.00 0.00 174.62 173.03 2cp3 s ARG 57 N 5.21 3.01 0.14 4.92 3.52 -1.26 -1.43 118.95 133.07 2cp3 s ARG 57 Ca 0.59 -1.56 -0.16 0.00 -0.13 0.00 0.00 55.73 54.47 2cp3 s ARG 57 Cb -0.13 -4.29 0.00 0.00 -1.56 0.00 0.00 34.95 28.98 2cp3 s ARG 57 CO 0.30 -1.41 1.74 1.88 -0.81 0.00 0.00 175.30 176.99 2cp3 h TYR 58 N 9.01 0.56 -3.77 5.12 0.05 -1.86 -3.44 116.97 122.63 2cp3 h TYR 58 Ca -0.30 -0.02 -0.31 0.00 0.05 0.00 0.00 58.73 58.15 2cp3 h TYR 58 Cb 1.09 -0.18 -0.30 0.00 1.01 0.00 0.00 36.73 38.36 2cp3 h TYR 58 CO 0.77 0.44 -0.75 -0.59 -1.05 0.00 0.00 178.16 176.99 2cp3 s PHE 59 N -5.81 0.36 0.03 4.88 -0.71 -1.22 -5.12 117.98 110.41 2cp3 s PHE 59 Ca -0.13 -0.06 -0.30 0.00 -1.04 0.00 0.00 56.93 55.39 2cp3 s PHE 59 Cb 0.10 -0.28 -0.07 0.00 -1.21 0.00 0.00 43.02 41.57 2cp3 s PHE 59 CO 0.74 -0.04 1.49 -1.14 -1.34 0.00 0.00 175.22 174.93 2cp3 s GLN 60 N 0.16 4.25 -0.28 1.99 2.00 -1.26 -4.54 119.66 121.98 2cp3 s GLN 60 Ca -0.01 2.10 -0.24 0.00 -2.00 0.00 0.00 55.36 55.21 2cp3 s GLN 60 Cb -0.04 -3.56 0.09 0.00 0.80 0.00 0.00 33.01 30.29 2cp3 s GLN 60 CO -0.00 -0.62 0.82 0.00 -0.50 0.00 0.00 175.29 174.98 2cp3 s PRO 62 N 0.50 -0.63 0.55 0.00 0.02 -1.26 -4.60 135.00 129.58 2cp3 s PRO 62 Ca -0.00 0.85 -0.18 0.00 0.02 0.00 0.00 61.00 61.69 2cp3 s PRO 62 Cb -0.05 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.83 2cp3 s PRO 62 CO -0.04 -3.53 1.07 -1.25 -0.33 0.00 0.00 177.00 172.92 2cp3 s PRO 63 N -4.54 3.46 -1.67 5.54 0.04 -1.26 -3.51 135.00 133.05 2cp3 s PRO 63 Ca 0.68 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 2cp3 s PRO 63 Cb -0.24 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2cp3 s PRO 63 CO 0.63 -0.71 0.13 1.63 0.04 0.00 0.00 177.00 178.71 2cp3 n LYS 64 N -1.56 -2.28 0.00 4.56 4.01 -1.09 -4.81 118.16 116.99 2cp3 n LYS 64 Ca 0.09 0.95 0.00 0.00 -0.51 0.00 0.00 58.31 58.85 2cp3 n LYS 64 Cb 0.52 -5.61 0.00 0.00 -0.51 0.00 0.00 35.03 29.44 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 -4.12 0.00 -3.33 2.13 3.72 -1.20 -2.84 117.46 111.82 2cp3 n PHE 65 Ca -0.21 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.81 2cp3 n PHE 65 Cb 0.67 0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 39.27 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 -4.26 2.45 -0.08 1.37 0.00 -1.09 0.41 107.32 106.11 2cp3 s GLY 66 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2cp3 s GLY 66 CO 0.00 0.65 -0.06 -2.27 0.00 0.00 0.00 173.10 171.42 2cp3 s LEU 67 N 0.17 1.17 -0.28 0.66 2.96 -0.34 -2.60 118.68 120.41 2cp3 s LEU 67 Ca 0.26 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.76 2cp3 s LEU 67 Cb -0.16 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2cp3 s LEU 67 CO 0.12 -0.09 0.54 -0.36 -1.32 0.00 0.00 176.35 175.24 2cp3 s PHE 68 N 1.42 3.24 0.04 5.38 0.08 -1.26 -1.15 117.98 125.74 2cp3 s PHE 68 Ca -0.02 0.57 0.02 0.00 0.12 0.00 0.00 56.93 57.63 2cp3 s PHE 68 Cb -0.13 -2.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 2cp3 s PHE 68 CO -0.04 -0.36 -0.08 0.00 -0.10 0.00 0.00 175.22 174.65 2cp3 s ALA 69 N 2.39 0.55 0.62 5.36 0.00 -0.99 -4.95 121.76 124.75 2cp3 s ALA 69 Ca 0.22 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 2cp3 s ALA 69 Cb -0.15 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2cp3 s ALA 69 CO 0.10 -0.03 0.84 -2.30 0.00 0.00 0.00 175.76 174.37 2cp3 n PRO 70 N 1.46 0.71 -0.12 0.00 -0.02 -1.26 0.11 135.00 135.86 2cp3 n PRO 70 Ca -0.23 0.28 -0.07 0.00 -2.02 0.00 0.00 63.50 61.46 2cp3 n PRO 70 Cb 0.55 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.25 1.03 0.00 4.25 2.10 -1.81 -1.11 117.51 122.22 2cp3 h ILE 71 Ca -0.48 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.31 2cp3 h ILE 71 Cb 1.37 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2cp3 h ILE 71 CO 0.49 0.08 0.00 1.12 -1.08 0.00 0.00 178.15 178.76 2cp3 h HIS 72 N 0.46 0.00 -0.56 2.19 2.07 -1.91 -1.56 115.15 115.84 2cp3 h HIS 72 Ca 0.16 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.56 2cp3 h HIS 72 Cb 0.02 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.93 2cp3 h HIS 72 CO -0.08 0.00 0.15 1.63 -3.07 0.00 0.00 177.93 176.56 2cp3 n LYS 73 N -3.07 3.58 -3.94 5.12 4.76 -0.43 -4.82 118.16 119.36 2cp3 n LYS 73 Ca -0.01 -2.52 -0.34 0.00 -2.87 0.00 0.00 58.31 52.57 2cp3 n LYS 73 Cb 0.17 -2.08 -0.14 0.00 -1.84 0.00 0.00 35.03 31.14 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 -2.49 2.79 0.08 -0.18 1.01 -0.59 -4.60 120.40 116.42 2cp3 s VAL 74 Ca 0.45 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 2cp3 s VAL 74 Cb 0.35 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 2cp3 s VAL 74 CO 0.12 -0.18 0.62 -0.63 0.00 0.00 0.00 175.10 175.02 2cp3 s ILE 75 N 1.18 4.68 -0.05 2.22 1.09 -1.13 -4.96 121.20 124.23 2cp3 s ILE 75 Ca -0.04 1.32 -0.16 0.00 -1.10 0.00 0.00 60.65 60.68 2cp3 s ILE 75 Cb -0.20 -3.95 -0.05 0.00 -1.06 0.00 0.00 42.46 37.20 2cp3 s ILE 75 CO -0.03 0.53 0.42 -0.60 -0.10 0.00 0.00 174.94 175.16 2cp3 s ARG 76 N -1.02 4.09 -0.02 2.79 3.52 -1.26 -0.29 118.95 126.76 2cp3 s ARG 76 Ca 0.31 0.39 0.15 0.00 -0.13 0.00 0.00 55.73 56.44 2cp3 s ARG 76 Cb -0.20 -3.31 0.26 0.00 -1.56 0.00 0.00 34.95 30.13 2cp3 s ARG 76 CO 0.20 0.47 1.11 0.44 -0.81 0.00 0.00 175.30 176.72 2cp3 n ILE 77 N 2.60 0.06 -0.08 4.11 -5.35 -1.15 -4.86 119.36 114.70 2cp3 n ILE 77 Ca -0.12 -0.68 -0.19 0.00 -0.27 0.00 0.00 62.75 61.50 2cp3 n ILE 77 Cb 0.52 0.81 -0.13 0.00 -1.74 0.00 0.00 39.64 39.10 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 0.17 -0.47 5.19 3.28 0.00 -1.11 -4.91 105.19 107.34 2cp3 n GLY 78 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.32 0.00 -4.88 1.61 7.64 -1.26 -4.70 113.62 108.71 2cp3 n SER 79 Ca -0.40 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.14 2cp3 n SER 79 Cb 1.02 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.17 2cp3 n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cp3 s GLY 80 N 0.00 2.26 -1.28 0.23 0.00 -1.26 -4.99 107.32 102.28 2cp3 s GLY 80 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 2cp3 s GLY 80 CO 0.00 -0.37 2.78 -1.55 0.00 0.00 0.00 173.10 173.95 2cp3 n PRO 81 N 1.05 3.09 0.00 2.90 -0.04 -1.26 -3.97 135.00 136.77 2cp3 n PRO 81 Ca -0.10 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 2cp3 n PRO 81 Cb 0.53 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2cp3 n PRO 81 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cp3 n SER 82 N 3.63 -0.03 -2.55 3.54 3.41 -1.26 -5.12 113.62 115.24 2cp3 n SER 82 Ca 0.66 0.07 -0.04 0.00 -0.26 0.00 0.00 58.87 59.30 2cp3 n SER 82 Cb 0.26 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2cp3 n SER 82 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cp3 n SER 83 N -1.76 -2.42 0.00 4.04 2.88 -1.25 -5.15 113.62 109.96 2cp3 n SER 83 Ca 0.00 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2cp3 n SER 83 Cb 0.00 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.45 2cp3 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42