#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 0.04 -4.16 1.61 2.88 -1.26 -4.95 113.62 107.78 2cp3 n SER 2 Ca 0.00 0.09 -0.34 0.00 -1.33 0.00 0.00 58.87 57.29 2cp3 n SER 2 Cb 0.00 -0.51 -0.14 0.00 -0.75 0.00 0.00 64.21 62.81 2cp3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cp3 s SER 3 N -3.88 4.38 0.06 -3.46 1.04 -1.26 -5.10 113.70 105.47 2cp3 s SER 3 Ca -0.00 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.39 2cp3 s SER 3 Cb 0.00 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 2cp3 s SER 3 CO 0.01 -0.16 -0.08 -0.83 0.98 0.00 0.00 173.24 173.16 2cp3 s GLY 4 N 1.26 0.58 0.23 7.32 0.00 -1.26 -5.14 107.32 110.30 2cp3 s GLY 4 Ca -0.03 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 43.53 2cp3 s GLY 4 CO -0.04 -0.97 0.85 -0.56 0.00 0.00 0.00 173.10 172.38 2cp3 s SER 5 N -1.91 7.40 0.00 1.64 0.01 -1.26 -5.00 113.70 114.58 2cp3 s SER 5 Ca -0.05 1.73 -0.25 0.00 1.31 0.00 0.00 55.95 58.70 2cp3 s SER 5 Cb -0.07 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.48 2cp3 s SER 5 CO -0.01 0.11 1.12 -1.28 0.41 0.00 0.00 173.24 173.59 2cp3 h SER 6 N 3.89 -0.53 -3.19 2.44 0.87 -2.01 -3.50 113.55 111.52 2cp3 h SER 6 Ca -0.47 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2cp3 h SER 6 Cb 1.20 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2cp3 h SER 6 CO 0.66 -0.15 -0.11 0.61 -0.53 0.00 0.00 176.83 177.31 2cp3 n GLY 7 N -0.35 -3.14 3.88 5.77 0.00 -1.26 -5.09 105.19 105.00 2cp3 n GLY 7 Ca -0.10 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.07 3.18 0.13 0.99 1.43 -1.26 -5.14 118.68 117.94 2cp3 s LEU 8 Ca -0.00 -0.90 0.09 0.00 -1.03 0.00 0.00 54.13 52.28 2cp3 s LEU 8 Cb 0.00 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2cp3 s LEU 8 CO 0.00 -0.80 -0.21 -0.13 0.23 0.00 0.00 176.35 175.44 2cp3 s ARG 9 N -4.19 1.22 -0.69 1.70 1.81 -1.26 -5.07 118.95 112.47 2cp3 s ARG 9 Ca 0.45 -1.27 -0.26 0.00 -1.72 0.00 0.00 55.73 52.93 2cp3 s ARG 9 Cb -0.03 -1.44 -0.02 0.00 -0.45 0.00 0.00 34.95 33.02 2cp3 s ARG 9 CO 0.27 0.32 1.81 -0.51 -0.68 0.00 0.00 175.30 176.51 2cp3 s LEU 10 N -2.20 3.26 0.00 2.53 1.43 -1.26 -3.77 118.68 118.68 2cp3 s LEU 10 Ca 0.11 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2cp3 s LEU 10 Cb -0.09 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2cp3 s LEU 10 CO 0.05 -2.37 0.00 0.61 0.23 0.00 0.00 176.35 174.88 2cp3 n GLY 11 N 5.90 0.66 3.17 -3.19 0.00 -0.23 -5.01 105.19 106.48 2cp3 n GLY 11 Ca 0.22 -0.78 -0.13 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 -0.95 -0.19 -0.01 1.61 1.01 -1.25 -4.87 116.67 112.01 2cp3 s ASP 12 Ca 0.00 0.26 -0.30 0.00 0.71 0.00 0.00 52.55 53.22 2cp3 s ASP 12 Cb 0.00 0.41 -0.05 0.00 1.01 0.00 0.00 42.92 44.29 2cp3 s ASP 12 CO 0.00 -0.25 1.33 -0.13 0.21 0.00 0.00 175.17 176.33 2cp3 s ARG 13 N -0.58 4.31 -0.01 8.23 3.00 -1.26 -0.33 118.95 132.31 2cp3 s ARG 13 Ca -0.07 1.86 0.00 0.00 0.00 0.00 0.00 55.73 57.53 2cp3 s ARG 13 Cb -0.04 -3.55 0.01 0.00 0.00 0.00 0.00 34.95 31.37 2cp3 s ARG 13 CO 0.02 -0.52 -0.01 0.14 0.00 0.00 0.00 175.30 174.93 2cp3 s VAL 14 N 2.26 0.10 0.08 3.52 -7.23 0.92 -2.75 120.40 117.30 2cp3 s VAL 14 Ca 0.61 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 2cp3 s VAL 14 Cb -0.29 -0.12 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 2cp3 s VAL 14 CO 0.25 0.05 1.01 -0.22 -0.31 0.00 0.00 175.10 175.88 2cp3 s LEU 15 N 0.27 4.45 -0.32 1.32 2.96 0.11 -1.89 118.68 125.57 2cp3 s LEU 15 Ca -0.02 1.82 -0.00 0.00 -0.22 0.00 0.00 54.13 55.70 2cp3 s LEU 15 Cb -0.04 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.14 2cp3 s LEU 15 CO -0.01 -0.18 0.02 -0.69 -1.32 0.00 0.00 176.35 174.17 2cp3 s VAL 16 N 0.36 2.77 0.00 1.68 1.01 0.66 -2.98 120.40 123.90 2cp3 s VAL 16 Ca 0.50 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2cp3 s VAL 16 Cb -0.24 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2cp3 s VAL 16 CO 0.30 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2cp3 n GLY 17 N 4.52 2.91 0.00 4.51 0.00 -1.26 -3.47 105.19 112.39 2cp3 n GLY 17 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.61 0.11 -0.02 0.00 -1.26 -4.96 105.19 100.67 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 -0.14 0.00 -2.43 2.61 5.66 -1.26 -5.10 114.28 113.63 2cp3 n THR 19 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 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 -1.32 3.47 -0.11 1.09 3.01 -1.23 -4.91 119.74 119.74 2cp3 s LYS 20 Ca 0.00 0.59 -0.21 0.00 -1.01 0.00 0.00 55.97 55.34 2cp3 s LYS 20 Cb 0.00 -4.05 -0.04 0.00 -1.01 0.00 0.00 37.83 32.73 2cp3 s LYS 20 CO 0.00 -1.72 0.61 0.95 0.51 0.00 0.00 175.35 175.70 2cp3 s THR 21 N 5.52 5.09 -0.02 2.17 -4.23 -1.26 -0.25 115.64 122.66 2cp3 s THR 21 Ca 0.53 1.22 -0.19 0.00 -1.18 0.00 0.00 61.69 62.08 2cp3 s THR 21 Cb -0.11 -3.94 0.03 0.00 1.34 0.00 0.00 72.50 69.82 2cp3 s THR 21 CO 0.28 0.25 0.40 -0.83 -0.54 0.00 0.00 174.62 174.18 2cp3 s GLY 22 N 0.81 -0.26 0.20 3.99 0.00 -0.79 -3.88 107.32 107.39 2cp3 s GLY 22 Ca 0.32 0.57 -0.17 0.00 0.00 0.00 0.00 44.72 45.44 2cp3 s GLY 22 CO 0.14 0.32 0.65 0.14 0.00 0.00 0.00 173.10 174.34 2cp3 s VAL 23 N -1.31 4.71 -0.08 1.40 1.01 -0.99 -0.06 120.40 125.09 2cp3 s VAL 23 Ca -0.13 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2cp3 s VAL 23 Cb -0.04 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2cp3 s VAL 23 CO 0.06 0.17 1.16 -0.69 0.00 0.00 0.00 175.10 175.80 2cp3 s VAL 24 N -1.56 4.38 -0.10 2.92 1.01 0.55 0.08 120.40 127.68 2cp3 s VAL 24 Ca 0.42 1.69 0.10 0.00 0.00 0.00 0.00 61.98 64.19 2cp3 s VAL 24 Cb -0.15 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 2cp3 s VAL 24 CO 0.20 -0.01 0.05 0.54 0.00 0.00 0.00 175.10 175.88 2cp3 n ARG 25 N 5.28 2.08 -4.70 2.72 5.12 -0.45 -1.07 116.66 125.66 2cp3 n ARG 25 Ca 0.11 -0.01 -0.23 0.00 -1.93 0.00 0.00 57.85 55.78 2cp3 n ARG 25 Cb 0.47 -1.28 -0.15 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 -2.30 1.44 -0.29 -1.55 5.04 -1.21 -4.87 117.35 113.61 2cp3 s TYR 26 Ca -0.05 -0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.28 2cp3 s TYR 26 Cb 0.04 -0.91 0.13 0.00 0.35 0.00 0.00 41.96 41.57 2cp3 s TYR 26 CO 0.45 -0.01 0.28 0.08 -1.34 0.00 0.00 175.55 175.02 2cp3 s VAL 27 N -0.46 -0.38 -0.05 3.14 1.01 -1.26 -1.36 120.40 121.03 2cp3 s VAL 27 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2cp3 s VAL 27 Cb -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2cp3 s VAL 27 CO -0.00 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.23 2cp3 n GLY 28 N 5.31 -0.68 2.66 4.51 0.00 -1.24 -5.07 105.19 110.68 2cp3 n GLY 28 Ca -0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 2cp3 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cp3 n GLU 29 N 0.00 -0.23 -4.30 1.61 1.02 -1.26 -2.37 120.64 115.11 2cp3 n GLU 29 Ca 0.00 -1.71 -0.16 0.00 -0.02 0.00 0.00 57.16 55.26 2cp3 n GLU 29 Cb 0.00 -0.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 2cp3 n GLU 29 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2cp3 s THR 30 N -2.38 0.41 -0.27 2.62 -4.23 -1.26 -4.73 115.64 105.81 2cp3 s THR 30 Ca 0.48 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 2cp3 s THR 30 Cb -0.02 -2.59 0.47 0.00 1.34 0.00 0.00 72.50 71.70 2cp3 s THR 30 CO 0.32 0.00 1.37 0.47 -0.54 0.00 0.00 174.62 176.24 2cp3 n ASP 31 N -0.51 2.42 0.00 3.99 9.92 -1.26 -4.68 116.55 126.43 2cp3 n ASP 31 Ca 0.01 -3.84 0.00 0.00 -0.53 0.00 0.00 54.79 50.43 2cp3 n ASP 31 Cb 0.66 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2cp3 n PHE 32 N -1.10 -0.52 -4.11 1.24 1.16 -1.26 -5.10 117.46 107.78 2cp3 n PHE 32 Ca 0.29 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.52 2cp3 n PHE 32 Cb 0.90 0.32 -0.08 0.00 -1.61 0.00 0.00 39.48 39.00 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 -1.64 3.52 -0.19 1.98 0.00 -1.26 -5.07 121.76 119.11 2cp3 s ALA 33 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2cp3 s ALA 33 Cb 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2cp3 s ALA 33 CO 0.00 0.50 1.29 0.15 0.00 0.00 0.00 175.76 177.69 2cp3 s LYS 34 N -0.62 4.17 0.00 0.00 3.01 -1.26 -4.52 119.74 120.52 2cp3 s LYS 34 Ca 0.11 1.60 0.00 0.00 -1.01 0.00 0.00 55.97 56.67 2cp3 s LYS 34 Cb -0.12 -3.80 0.00 0.00 -1.01 0.00 0.00 37.83 32.91 2cp3 s LYS 34 CO 0.02 -0.80 0.00 0.41 0.51 0.00 0.00 175.35 175.50 2cp3 n GLY 35 N 3.77 0.32 3.05 -3.33 0.00 -1.26 -5.05 105.19 102.69 2cp3 n GLY 35 Ca 0.14 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.78 1.63 -0.01 1.61 2.02 -1.26 -4.21 118.70 117.69 2cp3 s GLU 36 Ca 0.00 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.59 2cp3 s GLU 36 Cb 0.00 -1.38 -0.01 0.00 0.10 0.00 0.00 34.13 32.84 2cp3 s GLU 36 CO 0.00 0.10 -0.17 -1.58 0.02 0.00 0.00 175.26 173.63 2cp3 s TRP 37 N 0.43 1.51 -0.08 1.61 0.52 -1.00 -3.26 118.94 118.68 2cp3 s TRP 37 Ca -0.10 -0.29 -0.00 0.00 0.02 0.00 0.00 56.10 55.72 2cp3 s TRP 37 Cb -0.14 -0.97 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 2cp3 s TRP 37 CO 0.03 -0.03 -0.05 0.00 0.02 0.00 0.00 176.95 176.92 2cp3 s GLY 39 N -0.70 2.18 -0.14 0.00 0.00 -0.47 -2.25 107.32 105.95 2cp3 s GLY 39 Ca 0.11 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.35 2cp3 s GLY 39 CO 0.02 0.41 -0.19 0.14 0.00 0.00 0.00 173.10 173.48 2cp3 s VAL 40 N 0.50 2.35 -0.50 1.40 1.01 0.50 -1.34 120.40 124.33 2cp3 s VAL 40 Ca 0.15 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2cp3 s VAL 40 Cb -0.13 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.36 2cp3 s VAL 40 CO 0.03 0.54 0.54 -0.70 0.00 0.00 0.00 175.10 175.51 2cp3 s GLU 41 N 0.71 3.06 1.06 2.72 2.12 0.11 -0.97 118.70 127.51 2cp3 s GLU 41 Ca -0.09 -1.14 -0.14 0.00 0.36 0.00 0.00 54.97 53.97 2cp3 s GLU 41 Cb -0.16 -4.14 0.22 0.00 0.26 0.00 0.00 34.13 30.31 2cp3 s GLU 41 CO 0.01 -1.19 1.09 -0.51 -0.54 0.00 0.00 175.26 174.13 2cp3 s LEU 42 N 2.23 1.30 -0.15 2.70 1.43 -0.75 -2.33 118.68 123.11 2cp3 s LEU 42 Ca 0.10 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2cp3 s LEU 42 Cb -0.22 -3.10 -0.24 0.00 0.03 0.00 0.00 46.19 42.66 2cp3 s LEU 42 CO 0.09 -3.45 0.26 -0.90 0.23 0.00 0.00 176.35 172.59 2cp3 n ASP 43 N -4.37 2.09 -4.93 2.29 5.68 -1.25 -4.89 116.55 111.17 2cp3 n ASP 43 Ca 0.07 0.18 -0.21 0.00 -0.50 0.00 0.00 54.79 54.32 2cp3 n ASP 43 Cb 0.58 -0.81 -0.03 0.00 -1.14 0.00 0.00 41.12 39.72 2cp3 n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2cp3 s GLU 44 N -2.54 3.27 -0.61 0.11 0.41 -1.26 -4.98 118.70 113.10 2cp3 s GLU 44 Ca -0.25 -0.87 -0.27 0.00 -0.41 0.00 0.00 54.97 53.18 2cp3 s GLU 44 Cb 0.07 -2.79 -0.26 0.00 -1.78 0.00 0.00 34.13 29.37 2cp3 s GLU 44 CO 0.73 0.39 1.84 -2.30 -0.49 0.00 0.00 175.26 175.44 2cp3 n PRO 45 N -1.36 0.57 -0.96 0.39 -0.02 -1.26 -4.43 135.00 127.93 2cp3 n PRO 45 Ca -0.08 -1.57 0.05 0.00 -2.02 0.00 0.00 63.50 59.88 2cp3 n PRO 45 Cb 0.57 -3.13 0.13 0.00 -0.02 0.00 0.00 33.50 31.05 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 12.29 1.96 0.00 2.45 4.77 -1.15 -5.02 117.00 132.30 2cp3 n LEU 46 Ca 0.46 -3.06 -0.04 0.00 -0.03 0.00 0.00 56.01 53.33 2cp3 n LEU 46 Cb 0.44 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2cp3 n LEU 46 CO 0.94 1.00 -0.00 0.61 -1.33 0.00 0.00 177.39 178.61 2cp3 n GLY 47 N -0.44 3.33 0.06 -0.72 0.00 -1.07 -4.96 105.19 101.38 2cp3 n GLY 47 Ca 0.13 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.54 0.04 -3.31 1.61 4.76 -1.26 -4.72 118.16 114.74 2cp3 n LYS 48 Ca -0.01 0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2cp3 n LYS 48 Cb 0.09 -1.00 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 2cp3 n LYS 48 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cp3 n ASN 49 N -2.57 1.07 -1.99 4.39 3.02 -1.18 -4.63 115.26 113.37 2cp3 n ASN 49 Ca -0.03 -2.19 -0.24 0.00 -0.03 0.00 0.00 54.58 52.09 2cp3 n ASN 49 Cb 0.53 0.57 0.05 0.00 -0.61 0.00 0.00 39.78 40.32 2cp3 n ASN 49 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2cp3 n ASP 50 N -1.78 5.34 -0.21 6.41 5.68 -1.25 -1.55 116.55 129.19 2cp3 n ASP 50 Ca -0.03 -3.77 -0.01 0.00 -0.50 0.00 0.00 54.79 50.48 2cp3 n ASP 50 Cb 0.33 -0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 39.79 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 -0.81 0.37 3.07 6.12 0.00 -1.25 -3.80 105.19 108.90 2cp3 n GLY 51 Ca 0.47 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.17 0.73 -0.02 4.61 0.00 -1.26 -1.99 121.76 121.66 2cp3 s ALA 52 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 2cp3 s ALA 52 Cb -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.10 2cp3 s ALA 52 CO 0.00 0.07 0.04 0.08 0.00 0.00 0.00 175.76 175.95 2cp3 s VAL 53 N -1.04 -0.05 -1.79 0.00 1.01 0.23 -4.82 120.40 113.94 2cp3 s VAL 53 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2cp3 s VAL 53 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.21 2cp3 s VAL 53 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.18 2cp3 n ALA 54 N 4.03 -0.50 0.00 5.51 0.00 -1.26 -1.45 120.51 126.84 2cp3 n ALA 54 Ca -0.26 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2cp3 n ALA 54 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.89 3.18 3.74 0.00 0.00 -1.26 -5.03 105.19 104.93 2cp3 n GLY 55 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.32 4.76 -0.18 2.61 2.01 -0.53 -5.06 115.64 116.93 2cp3 s THR 56 Ca 0.00 1.63 -0.02 0.00 0.31 0.00 0.00 61.69 63.61 2cp3 s THR 56 Cb 0.00 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2cp3 s THR 56 CO 0.00 0.35 -0.10 -0.60 -0.69 0.00 0.00 174.62 173.58 2cp3 s ARG 57 N 0.03 3.34 -0.16 4.92 3.52 -1.26 0.78 118.95 130.12 2cp3 s ARG 57 Ca 0.39 -0.67 -0.21 0.00 -0.13 0.00 0.00 55.73 55.10 2cp3 s ARG 57 Cb -0.20 -2.80 -0.19 0.00 -1.56 0.00 0.00 34.95 30.20 2cp3 s ARG 57 CO 0.23 -0.02 0.40 1.88 -0.81 0.00 0.00 175.30 176.98 2cp3 h TYR 58 N 7.49 0.00 -3.52 5.12 0.05 -1.76 -3.47 116.97 120.88 2cp3 h TYR 58 Ca -0.35 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.82 2cp3 h TYR 58 Cb 1.18 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.59 2cp3 h TYR 58 CO 0.54 0.99 -0.85 -0.59 -1.05 0.00 0.00 178.16 177.19 2cp3 s PHE 59 N -2.20 2.05 -0.05 4.88 -0.71 -1.24 -5.10 117.98 115.62 2cp3 s PHE 59 Ca -0.20 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 54.63 2cp3 s PHE 59 Cb 0.01 -1.40 -0.06 0.00 -1.21 0.00 0.00 43.02 40.36 2cp3 s PHE 59 CO 0.54 -0.31 1.71 -1.14 -1.34 0.00 0.00 175.22 174.67 2cp3 s GLN 60 N 0.35 4.15 0.13 1.99 2.00 -1.26 -4.58 119.66 122.44 2cp3 s GLN 60 Ca -0.14 2.24 -0.15 0.00 -2.00 0.00 0.00 55.36 55.31 2cp3 s GLN 60 Cb -0.16 -4.02 0.03 0.00 0.80 0.00 0.00 33.01 29.66 2cp3 s GLN 60 CO 0.06 -0.89 0.40 0.00 -0.50 0.00 0.00 175.29 174.36 2cp3 s PRO 62 N -3.83 1.97 0.41 0.00 0.04 -1.26 -4.80 135.00 127.53 2cp3 s PRO 62 Ca 0.05 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 61.63 2cp3 s PRO 62 Cb 0.02 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2cp3 s PRO 62 CO -0.10 -1.74 1.16 -1.25 0.04 0.00 0.00 177.00 175.11 2cp3 s PRO 63 N -5.05 4.03 -1.33 0.56 0.04 -1.26 -3.34 135.00 128.64 2cp3 s PRO 63 Ca 0.61 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 63.41 2cp3 s PRO 63 Cb -0.16 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.76 2cp3 s PRO 63 CO 0.55 -0.33 0.62 1.63 0.04 0.00 0.00 177.00 179.51 2cp3 n LYS 64 N -0.01 -4.76 0.00 4.56 4.01 -1.23 -4.84 118.16 115.89 2cp3 n LYS 64 Ca 0.05 0.79 0.00 0.00 -0.51 0.00 0.00 58.31 58.63 2cp3 n LYS 64 Cb 0.47 -5.43 0.00 0.00 -0.51 0.00 0.00 35.03 29.56 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 -4.42 0.00 -2.42 2.13 3.01 -1.18 -2.61 117.46 111.97 2cp3 n PHE 65 Ca -0.08 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.95 2cp3 n PHE 65 Cb 0.60 0.31 -0.02 0.00 -0.01 0.00 0.00 39.48 40.36 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 -4.80 1.34 0.05 1.37 0.00 -0.60 -1.81 107.32 102.87 2cp3 s GLY 66 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.82 2cp3 s GLY 66 CO 0.00 2.60 -0.14 -2.27 0.00 0.00 0.00 173.10 173.29 2cp3 s LEU 67 N 4.53 2.80 -0.31 0.66 2.96 -0.14 -3.10 118.68 126.08 2cp3 s LEU 67 Ca 0.56 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2cp3 s LEU 67 Cb -0.16 -1.63 0.06 0.00 0.50 0.00 0.00 46.19 44.96 2cp3 s LEU 67 CO 0.25 0.24 0.02 -0.36 -1.32 0.00 0.00 176.35 175.17 2cp3 s PHE 68 N -1.01 3.30 0.07 5.38 0.08 -1.26 -0.37 117.98 124.17 2cp3 s PHE 68 Ca 0.17 -1.93 0.06 0.00 0.12 0.00 0.00 56.93 55.34 2cp3 s PHE 68 Cb -0.11 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 2cp3 s PHE 68 CO 0.08 -0.82 -0.17 0.00 -0.10 0.00 0.00 175.22 174.21 2cp3 s ALA 69 N 1.24 1.41 0.36 5.36 0.00 -0.95 -5.00 121.76 124.19 2cp3 s ALA 69 Ca -0.04 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 2cp3 s ALA 69 Cb -0.20 -0.18 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 2cp3 s ALA 69 CO -0.01 0.26 1.06 -2.30 0.00 0.00 0.00 175.76 174.76 2cp3 n PRO 70 N 1.40 1.51 -0.12 0.00 -0.02 -1.26 -1.96 135.00 134.53 2cp3 n PRO 70 Ca -0.20 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 2cp3 n PRO 70 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.88 1.10 0.00 4.25 2.10 -1.88 -1.25 117.51 123.71 2cp3 h ILE 71 Ca -0.43 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2cp3 h ILE 71 Cb 1.33 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2cp3 h ILE 71 CO 0.59 0.10 0.00 1.12 -1.08 0.00 0.00 178.15 178.88 2cp3 h HIS 72 N 0.54 0.00 -0.62 2.19 2.07 -1.90 -1.70 115.15 115.73 2cp3 h HIS 72 Ca 0.14 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.58 2cp3 h HIS 72 Cb -0.06 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.87 2cp3 h HIS 72 CO -0.05 0.00 0.11 1.63 -3.07 0.00 0.00 177.93 176.55 2cp3 n LYS 73 N -2.57 4.28 -4.11 5.12 4.76 -0.48 -4.94 118.16 120.21 2cp3 n LYS 73 Ca -0.00 -2.97 -0.25 0.00 -2.87 0.00 0.00 58.31 52.22 2cp3 n LYS 73 Cb 0.17 -2.21 -0.05 0.00 -1.84 0.00 0.00 35.03 31.09 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 -2.75 4.35 -0.06 -0.18 1.01 -0.64 -4.67 120.40 117.45 2cp3 s VAL 74 Ca 0.52 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2cp3 s VAL 74 Cb 0.41 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2cp3 s VAL 74 CO 0.14 -0.18 -0.07 -0.63 0.00 0.00 0.00 175.10 174.37 2cp3 s ILE 75 N -1.87 0.77 -0.47 2.22 1.09 -1.16 -5.00 121.20 116.79 2cp3 s ILE 75 Ca 0.31 -0.23 -0.27 0.00 -1.10 0.00 0.00 60.65 59.36 2cp3 s ILE 75 Cb -0.09 -0.76 0.03 0.00 -1.06 0.00 0.00 42.46 40.57 2cp3 s ILE 75 CO 0.23 0.29 1.05 -0.13 -0.10 0.00 0.00 174.94 176.27 2cp3 s ARG 76 N 1.03 3.65 0.14 2.79 0.52 -1.26 0.08 118.95 125.90 2cp3 s ARG 76 Ca -0.09 0.40 0.04 0.00 -0.52 0.00 0.00 55.73 55.56 2cp3 s ARG 76 Cb -0.14 -3.91 -0.11 0.00 0.52 0.00 0.00 34.95 31.30 2cp3 s ARG 76 CO -0.00 -1.30 1.31 0.82 0.02 0.00 0.00 175.30 176.14 2cp3 h ILE 77 N 6.16 1.58 -3.46 1.52 2.04 -1.87 -3.48 117.51 120.00 2cp3 h ILE 77 Ca -0.23 -2.99 -0.17 0.00 1.00 0.00 0.00 64.86 62.46 2cp3 h ILE 77 Cb 1.07 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.80 2cp3 h ILE 77 CO 1.08 0.86 -0.15 0.61 0.00 0.00 0.00 178.15 180.56 2cp3 n GLY 78 N 1.15 3.80 3.73 5.37 0.00 -1.25 -5.08 105.19 112.91 2cp3 n GLY 78 Ca -0.03 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2cp3 n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cp3 s SER 79 N -1.79 4.15 -0.32 1.61 0.15 -1.26 -4.95 113.70 111.29 2cp3 s SER 79 Ca 0.08 -1.44 -0.09 0.00 0.70 0.00 0.00 55.95 55.20 2cp3 s SER 79 Cb 0.00 0.08 0.19 0.00 -1.71 0.00 0.00 66.02 64.58 2cp3 s SER 79 CO 0.05 -0.71 1.04 -0.83 1.20 0.00 0.00 173.24 173.99 2cp3 s GLY 80 N -3.87 -1.45 0.38 9.45 0.00 -1.26 -5.01 107.32 105.56 2cp3 s GLY 80 Ca 0.23 1.37 0.16 0.00 0.00 0.00 0.00 44.72 46.48 2cp3 s GLY 80 CO 0.12 4.26 1.80 -0.56 0.00 0.00 0.00 173.10 178.73 2cp3 h PRO 81 N 5.74 0.00 -4.81 2.90 0.13 -2.04 -3.49 132.00 130.42 2cp3 h PRO 81 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2cp3 h PRO 81 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2cp3 h PRO 81 CO -0.07 0.37 -1.21 0.43 -0.23 0.00 0.00 178.00 177.29 2cp3 n SER 82 N -3.84 -6.32 -3.64 1.44 7.64 -1.26 -5.09 113.62 102.55 2cp3 n SER 82 Ca -0.01 1.69 -0.06 0.00 1.01 0.00 0.00 58.87 61.50 2cp3 n SER 82 Cb 0.44 -5.26 -0.07 0.00 -1.01 0.00 0.00 64.21 58.32 2cp3 n SER 82 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cp3 s SER 83 N -0.62 -0.22 0.00 6.43 0.15 -1.26 -5.33 113.70 112.84 2cp3 s SER 83 Ca -0.10 0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.96 2cp3 s SER 83 Cb 0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2cp3 s SER 83 CO 0.28 -0.08 0.52 0.61 1.20 0.00 0.00 173.24 175.76