#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 1.20 -4.65 1.61 7.64 -1.26 -4.95 113.62 113.21 2cp3 n SER 2 Ca 0.00 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.44 2cp3 n SER 2 Cb 0.00 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 2cp3 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cp3 n SER 3 N -2.64 3.99 0.00 6.43 3.41 -1.26 -4.72 113.62 118.83 2cp3 n SER 3 Ca -0.27 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2cp3 n SER 3 Cb 1.01 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2cp3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cp3 n GLY 4 N 4.76 -0.92 3.45 5.00 0.00 -1.26 -5.11 105.19 111.12 2cp3 n GLY 4 Ca 0.22 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 6.18 0.59 1.61 0.01 -1.26 -5.03 113.70 115.81 2cp3 s SER 5 Ca 0.00 -0.96 -0.00 0.00 1.31 0.00 0.00 55.95 56.29 2cp3 s SER 5 Cb 0.00 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.86 2cp3 s SER 5 CO 0.00 -1.41 0.84 -0.55 0.41 0.00 0.00 173.24 172.53 2cp3 s SER 6 N 3.62 5.11 0.00 2.44 0.15 -1.26 -5.06 113.70 118.69 2cp3 s SER 6 Ca 0.22 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2cp3 s SER 6 Cb -0.17 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2cp3 s SER 6 CO 0.11 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2cp3 n GLY 7 N -2.50 3.18 3.90 9.45 0.00 -1.26 -5.14 105.19 112.82 2cp3 n GLY 7 Ca 0.09 -0.62 -0.28 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 0.00 3.77 0.75 0.99 1.43 -1.26 -5.09 118.68 119.28 2cp3 s LEU 8 Ca 0.00 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 2cp3 s LEU 8 Cb 0.00 -3.82 0.06 0.00 0.03 0.00 0.00 46.19 42.46 2cp3 s LEU 8 CO 0.00 -0.46 1.12 -0.13 0.23 0.00 0.00 176.35 177.11 2cp3 s ARG 9 N -4.33 2.26 -0.64 1.70 3.00 -1.26 -4.88 118.95 114.81 2cp3 s ARG 9 Ca 0.47 0.12 -0.21 0.00 0.00 0.00 0.00 55.73 56.11 2cp3 s ARG 9 Cb -0.10 -2.02 0.09 0.00 0.00 0.00 0.00 34.95 32.91 2cp3 s ARG 9 CO 0.39 -1.35 0.87 -0.51 0.00 0.00 0.00 175.30 174.69 2cp3 s LEU 10 N -5.44 4.82 0.00 2.53 1.43 -1.26 -4.10 118.68 116.66 2cp3 s LEU 10 Ca 0.60 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2cp3 s LEU 10 Cb -0.11 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2cp3 s LEU 10 CO 0.49 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 176.38 2cp3 n GLY 11 N 5.31 0.94 3.25 -3.19 0.00 0.16 -4.99 105.19 106.67 2cp3 n GLY 11 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 2.87 -0.07 1.61 1.11 -1.24 -4.84 116.67 114.61 2cp3 s ASP 12 Ca 0.00 -0.47 -0.30 0.00 0.18 0.00 0.00 52.55 51.96 2cp3 s ASP 12 Cb 0.00 -0.70 -0.05 0.00 1.07 0.00 0.00 42.92 43.24 2cp3 s ASP 12 CO 0.00 0.24 1.62 -0.13 1.18 0.00 0.00 175.17 178.07 2cp3 s ARG 13 N -0.20 4.16 0.37 8.23 3.00 -1.26 -0.46 118.95 132.78 2cp3 s ARG 13 Ca -0.01 2.11 0.04 0.00 0.00 0.00 0.00 55.73 57.86 2cp3 s ARG 13 Cb -0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 34.95 30.82 2cp3 s ARG 13 CO 0.03 -0.86 0.12 0.14 0.00 0.00 0.00 175.30 174.72 2cp3 s VAL 14 N 4.07 0.68 -0.09 3.52 -7.23 -0.61 -3.20 120.40 117.54 2cp3 s VAL 14 Ca 0.72 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2cp3 s VAL 14 Cb -0.32 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.16 2cp3 s VAL 14 CO 0.28 0.00 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.68 2cp3 s LEU 15 N -3.54 1.82 -0.44 1.32 2.96 0.14 -2.52 118.68 118.42 2cp3 s LEU 15 Ca 0.28 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 2cp3 s LEU 15 Cb 0.04 -1.09 0.08 0.00 0.50 0.00 0.00 46.19 45.72 2cp3 s LEU 15 CO 0.15 0.07 0.31 -0.69 -1.32 0.00 0.00 176.35 174.87 2cp3 s VAL 16 N 0.64 4.58 0.00 1.68 1.01 -0.14 -2.02 120.40 126.16 2cp3 s VAL 16 Ca -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.56 2cp3 s VAL 16 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2cp3 s VAL 16 CO 0.04 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.22 2cp3 n GLY 17 N 5.02 2.29 0.00 4.51 0.00 -1.26 -3.26 105.19 112.48 2cp3 n GLY 17 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.59 0.38 -0.02 0.00 -1.26 -4.99 105.19 99.89 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 -1.66 2.61 -1.04 -1.26 -4.97 114.28 107.96 2cp3 n THR 19 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 2cp3 n THR 19 Cb 0.00 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2cp3 s LYS 20 N -1.96 2.20 -0.21 -2.82 1.02 -1.20 -4.91 119.74 111.86 2cp3 s LYS 20 Ca 0.00 1.23 -0.20 0.00 0.02 0.00 0.00 55.97 57.03 2cp3 s LYS 20 Cb 0.00 -4.55 -0.03 0.00 -0.52 0.00 0.00 37.83 32.74 2cp3 s LYS 20 CO 0.00 -3.18 0.59 0.95 -0.92 0.00 0.00 175.35 172.80 2cp3 s THR 21 N 11.58 5.04 -0.01 2.17 -4.23 -1.26 -0.96 115.64 127.97 2cp3 s THR 21 Ca 0.91 1.10 -0.27 0.00 -1.18 0.00 0.00 61.69 62.25 2cp3 s THR 21 Cb -0.16 -3.91 0.06 0.00 1.34 0.00 0.00 72.50 69.83 2cp3 s THR 21 CO 0.25 0.12 0.61 -0.83 -0.54 0.00 0.00 174.62 174.22 2cp3 s GLY 22 N 1.24 -0.51 0.16 3.99 0.00 -1.05 -4.26 107.32 106.89 2cp3 s GLY 22 Ca 0.27 1.03 -0.14 0.00 0.00 0.00 0.00 44.72 45.87 2cp3 s GLY 22 CO 0.10 0.70 0.56 0.14 0.00 0.00 0.00 173.10 174.59 2cp3 s VAL 23 N -1.63 4.85 -0.11 1.40 1.01 -0.56 -1.57 120.40 123.79 2cp3 s VAL 23 Ca -0.09 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 2cp3 s VAL 23 Cb -0.01 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2cp3 s VAL 23 CO 0.06 0.21 1.45 -0.69 0.00 0.00 0.00 175.10 176.13 2cp3 s VAL 24 N -1.51 3.93 -0.15 2.92 1.01 0.39 0.33 120.40 127.32 2cp3 s VAL 24 Ca 0.39 1.13 0.13 0.00 0.00 0.00 0.00 61.98 63.63 2cp3 s VAL 24 Cb -0.15 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 2cp3 s VAL 24 CO 0.19 -0.10 0.04 0.54 0.00 0.00 0.00 175.10 175.78 2cp3 n ARG 25 N 6.81 1.47 -4.09 2.72 5.12 0.67 0.38 116.66 129.74 2cp3 n ARG 25 Ca 0.15 -0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.93 2cp3 n ARG 25 Cb 0.44 -1.39 -0.14 0.00 -1.16 0.00 0.00 32.46 30.21 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 -2.37 0.39 -0.01 -1.55 5.04 -1.09 -4.79 117.35 112.98 2cp3 s TYR 26 Ca -0.08 -0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.40 2cp3 s TYR 26 Cb 0.05 -0.25 -0.00 0.00 0.35 0.00 0.00 41.96 42.11 2cp3 s TYR 26 CO 0.61 -0.02 0.07 0.08 -1.34 0.00 0.00 175.55 174.96 2cp3 s VAL 27 N -0.23 0.05 -2.06 3.14 1.01 -1.26 -0.39 120.40 120.66 2cp3 s VAL 27 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2cp3 s VAL 27 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2cp3 s VAL 27 CO -0.00 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2cp3 n GLY 28 N 2.24 0.56 3.93 4.51 0.00 -1.01 -5.02 105.19 110.40 2cp3 n GLY 28 Ca -0.18 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.82 0.85 0.27 1.61 2.02 -1.26 0.20 118.70 121.57 2cp3 s GLU 29 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2cp3 s GLU 29 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 2cp3 s GLU 29 CO 0.00 -2.28 0.30 0.25 0.02 0.00 0.00 175.26 173.55 2cp3 n THR 30 N -3.68 0.00 -0.07 3.63 -2.24 -1.23 -4.70 114.28 105.98 2cp3 n THR 30 Ca 0.14 -1.72 -0.08 0.00 -2.27 0.00 0.00 64.05 60.12 2cp3 n THR 30 Cb 0.60 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2cp3 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2cp3 n ASP 31 N -1.86 2.62 0.15 3.42 9.92 -1.26 -4.54 116.55 125.01 2cp3 n ASP 31 Ca 0.04 -0.05 0.04 0.00 -0.53 0.00 0.00 54.79 54.29 2cp3 n ASP 31 Cb 0.48 0.17 0.44 0.00 -0.64 0.00 0.00 41.12 41.57 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2cp3 h PHE 32 N 0.00 0.19 -4.16 1.24 -5.15 -1.98 -3.44 116.94 103.63 2cp3 h PHE 32 Ca -0.31 -0.01 -0.14 0.00 -0.20 0.00 0.00 57.97 57.31 2cp3 h PHE 32 Cb 1.58 -0.06 -0.17 0.00 0.22 0.00 0.00 35.95 37.52 2cp3 h PHE 32 CO 0.01 0.28 -0.69 0.00 -2.00 0.00 0.00 178.31 175.92 2cp3 s ALA 33 N -4.80 0.41 0.15 12.09 0.00 -1.26 -5.15 121.76 123.19 2cp3 s ALA 33 Ca -0.05 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 2cp3 s ALA 33 Cb 0.16 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.44 2cp3 s ALA 33 CO 0.72 -0.31 0.62 0.15 0.00 0.00 0.00 175.76 176.94 2cp3 s LYS 34 N -3.24 4.17 0.00 0.00 -0.14 -1.26 -4.16 119.74 115.11 2cp3 s LYS 34 Ca 0.01 0.72 0.00 0.00 -1.36 0.00 0.00 55.97 55.34 2cp3 s LYS 34 Cb 0.03 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.16 2cp3 s LYS 34 CO -0.07 0.50 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 2cp3 n GLY 35 N 1.09 -0.75 3.37 -3.33 0.00 -1.26 -4.94 105.19 99.37 2cp3 n GLY 35 Ca -0.06 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 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 2.84 0.31 1.61 2.02 -1.26 -3.55 118.70 120.67 2cp3 s GLU 36 Ca 0.00 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2cp3 s GLU 36 Cb 0.00 -3.69 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2cp3 s GLU 36 CO 0.00 -0.67 0.48 -1.58 0.02 0.00 0.00 175.26 173.51 2cp3 s TRP 37 N 1.54 3.46 -0.07 1.61 0.52 0.13 -0.55 118.94 125.58 2cp3 s TRP 37 Ca 0.02 0.19 -0.00 0.00 0.02 0.00 0.00 56.10 56.33 2cp3 s TRP 37 Cb -0.19 -1.80 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 2cp3 s TRP 37 CO 0.06 0.21 -0.03 0.00 0.02 0.00 0.00 176.95 177.21 2cp3 s GLY 39 N 1.53 1.66 -0.22 0.00 0.00 0.47 -1.32 107.32 109.43 2cp3 s GLY 39 Ca -0.01 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 42.77 2cp3 s GLY 39 CO -0.04 1.68 0.40 0.14 0.00 0.00 0.00 173.10 175.28 2cp3 s VAL 40 N 3.06 5.18 -0.11 1.40 1.01 0.22 -0.23 120.40 130.94 2cp3 s VAL 40 Ca 0.18 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 2cp3 s VAL 40 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2cp3 s VAL 40 CO 0.12 0.22 0.76 -0.70 0.00 0.00 0.00 175.10 175.50 2cp3 s GLU 41 N 1.57 4.38 0.18 2.72 -6.30 0.15 -0.26 118.70 121.13 2cp3 s GLU 41 Ca 0.18 0.95 0.05 0.00 -2.50 0.00 0.00 54.97 53.64 2cp3 s GLU 41 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 34.13 30.44 2cp3 s GLU 41 CO 0.08 -0.11 0.20 -0.51 0.02 0.00 0.00 175.26 174.94 2cp3 s LEU 42 N 1.40 3.99 0.04 2.70 1.43 -1.10 -1.50 118.68 125.64 2cp3 s LEU 42 Ca 0.38 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 2cp3 s LEU 42 Cb -0.17 -2.58 -0.34 0.00 0.03 0.00 0.00 46.19 43.13 2cp3 s LEU 42 CO 0.16 0.04 1.03 0.44 0.23 0.00 0.00 176.35 178.26 2cp3 h ASP 43 N 2.13 0.86 -3.06 2.29 5.19 -1.91 -3.46 116.42 118.46 2cp3 h ASP 43 Ca -0.48 -0.88 -0.65 0.00 -0.62 0.00 0.00 57.03 54.40 2cp3 h ASP 43 Cb 1.21 -0.28 -0.08 0.00 0.18 0.00 0.00 39.33 40.35 2cp3 h ASP 43 CO 0.64 1.68 -0.56 -1.61 -3.12 0.00 0.00 179.24 176.27 2cp3 s GLU 44 N -2.72 3.11 -0.84 3.56 8.01 -1.26 -5.00 118.70 123.57 2cp3 s GLU 44 Ca -0.09 -0.50 -0.21 0.00 0.01 0.00 0.00 54.97 54.18 2cp3 s GLU 44 Cb 0.05 -2.88 -0.20 0.00 -4.31 0.00 0.00 34.13 26.79 2cp3 s GLU 44 CO 0.94 0.63 2.26 -2.30 0.01 0.00 0.00 175.26 176.80 2cp3 n PRO 45 N 0.91 0.34 -1.63 0.39 -0.02 -1.26 -4.54 135.00 129.19 2cp3 n PRO 45 Ca -0.11 -0.68 0.02 0.00 -2.02 0.00 0.00 63.50 60.71 2cp3 n PRO 45 Cb 0.52 -2.91 0.02 0.00 -0.02 0.00 0.00 33.50 31.11 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 14.85 0.82 -4.90 2.45 4.77 -1.12 -5.02 117.00 128.86 2cp3 n LEU 46 Ca 0.50 -2.14 -0.27 0.00 -0.03 0.00 0.00 56.01 54.06 2cp3 n LEU 46 Cb 0.36 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2cp3 n LEU 46 CO 0.69 0.69 0.02 -0.83 -1.33 0.00 0.00 177.39 176.63 2cp3 s GLY 47 N -2.10 2.47 -0.08 -0.72 0.00 -1.08 -4.94 107.32 100.88 2cp3 s GLY 47 Ca 0.29 -1.06 0.11 0.00 0.00 0.00 0.00 44.72 44.06 2cp3 s GLY 47 CO -0.14 -1.99 0.53 0.28 0.00 0.00 0.00 173.10 171.78 2cp3 n LYS 48 N -1.74 0.66 -3.84 2.90 4.76 -1.25 -4.74 118.16 114.91 2cp3 n LYS 48 Ca -0.04 0.25 -0.06 0.00 -2.87 0.00 0.00 58.31 55.59 2cp3 n LYS 48 Cb 0.65 -1.74 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 2cp3 n LYS 48 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2cp3 n ASN 49 N -3.06 -1.99 -3.02 4.39 6.94 -1.24 -4.83 115.26 112.45 2cp3 n ASN 49 Ca -0.21 -2.21 -0.33 0.00 -0.02 0.00 0.00 54.58 51.80 2cp3 n ASN 49 Cb 1.07 3.28 -0.04 0.00 -2.36 0.00 0.00 39.78 41.72 2cp3 n ASN 49 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2cp3 n ASP 50 N -1.40 7.39 -1.98 0.53 5.75 -1.26 -2.20 116.55 123.38 2cp3 n ASP 50 Ca -0.05 -3.05 -0.16 0.00 -0.01 0.00 0.00 54.79 51.52 2cp3 n ASP 50 Cb 0.59 -1.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.30 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 1.69 0.41 2.99 6.12 0.00 -1.26 -4.33 105.19 110.81 2cp3 n GLY 51 Ca 0.58 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.57 2.33 -0.30 4.61 0.00 -1.26 -2.97 121.76 121.60 2cp3 s ALA 52 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 51.96 50.13 2cp3 s ALA 52 Cb 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2cp3 s ALA 52 CO 0.00 -1.31 0.16 0.08 0.00 0.00 0.00 175.76 174.69 2cp3 s VAL 53 N 1.21 4.84 -1.72 0.00 1.01 0.17 -4.38 120.40 121.52 2cp3 s VAL 53 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2cp3 s VAL 53 Cb -0.19 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2cp3 s VAL 53 CO -0.07 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.18 2cp3 n ALA 54 N 5.01 -0.56 0.00 5.51 0.00 -1.26 -1.62 120.51 127.59 2cp3 n ALA 54 Ca -0.14 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2cp3 n ALA 54 Cb 0.50 -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 -0.98 2.97 3.62 0.00 0.00 -1.26 -5.01 105.19 104.52 2cp3 n GLY 55 Ca -0.23 0.00 -0.43 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 -2.46 4.23 -0.33 2.61 2.01 -0.64 -4.98 115.64 116.07 2cp3 s THR 56 Ca 0.00 1.33 -0.06 0.00 0.31 0.00 0.00 61.69 63.27 2cp3 s THR 56 Cb 0.00 -4.38 0.03 0.00 0.01 0.00 0.00 72.50 68.16 2cp3 s THR 56 CO 0.00 -0.70 0.10 -0.60 -0.69 0.00 0.00 174.62 172.73 2cp3 s ARG 57 N 4.24 2.73 0.06 4.92 3.52 -1.26 -0.66 118.95 132.50 2cp3 s ARG 57 Ca 0.51 -1.11 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 2cp3 s ARG 57 Cb -0.12 -3.44 -0.19 0.00 -1.56 0.00 0.00 34.95 29.64 2cp3 s ARG 57 CO 0.25 -0.61 1.23 1.88 -0.81 0.00 0.00 175.30 177.23 2cp3 h TYR 58 N 8.22 0.89 -4.08 5.12 -1.99 -1.90 -3.46 116.97 119.78 2cp3 h TYR 58 Ca -0.25 -0.43 -0.48 0.00 2.00 0.00 0.00 58.73 59.57 2cp3 h TYR 58 Cb 1.09 -0.12 -0.25 0.00 2.00 0.00 0.00 36.73 39.45 2cp3 h TYR 58 CO 0.60 1.25 -0.81 -0.59 -0.00 0.00 0.00 178.16 178.60 2cp3 s PHE 59 N -3.55 1.39 -0.14 4.88 -0.71 -1.26 -5.11 117.98 113.48 2cp3 s PHE 59 Ca -0.11 -0.36 -0.28 0.00 -1.04 0.00 0.00 56.93 55.15 2cp3 s PHE 59 Cb 0.07 -0.83 -0.01 0.00 -1.21 0.00 0.00 43.02 41.04 2cp3 s PHE 59 CO 0.87 0.05 0.93 -1.14 -1.34 0.00 0.00 175.22 174.59 2cp3 s GLN 60 N -1.13 4.35 0.04 1.99 2.00 -1.26 -4.61 119.66 121.05 2cp3 s GLN 60 Ca 0.03 1.22 -0.20 0.00 -2.00 0.00 0.00 55.36 54.42 2cp3 s GLN 60 Cb -0.08 -3.56 0.04 0.00 0.80 0.00 0.00 33.01 30.21 2cp3 s GLN 60 CO 0.01 -0.34 0.45 0.00 -0.50 0.00 0.00 175.29 174.91 2cp3 n PRO 62 N 0.50 -2.60 -2.23 0.00 -0.02 -1.26 -4.74 135.00 124.64 2cp3 n PRO 62 Ca -0.18 -0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 60.13 2cp3 n PRO 62 Cb 0.60 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 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 -4.17 4.32 -1.08 0.52 0.04 -1.26 -3.19 135.00 130.19 2cp3 s PRO 63 Ca 0.65 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 2cp3 s PRO 63 Cb -0.21 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2cp3 s PRO 63 CO 0.65 -0.46 0.93 1.63 0.04 0.00 0.00 177.00 179.78 2cp3 n LYS 64 N 4.52 -6.19 0.01 4.56 4.76 -1.26 -4.91 118.16 119.66 2cp3 n LYS 64 Ca 0.12 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 2cp3 n LYS 64 Cb 0.43 -5.34 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 -4.16 -0.04 -2.10 2.13 3.01 -1.19 -2.63 117.46 112.48 2cp3 n PHE 65 Ca -0.11 0.01 -0.42 0.00 1.01 0.00 0.00 57.45 57.93 2cp3 n PHE 65 Cb 0.59 0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 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 -4.78 1.54 -0.30 1.37 0.00 -0.93 -2.71 107.32 101.51 2cp3 s GLY 66 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 44.72 45.43 2cp3 s GLY 66 CO 0.00 2.92 0.16 -2.27 0.00 0.00 0.00 173.10 173.91 2cp3 s LEU 67 N 3.98 4.04 -0.42 0.66 2.96 0.64 -3.59 118.68 126.95 2cp3 s LEU 67 Ca 0.69 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 2cp3 s LEU 67 Cb -0.30 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.37 2cp3 s LEU 67 CO 0.26 -0.15 0.45 -0.36 -1.32 0.00 0.00 176.35 175.24 2cp3 s PHE 68 N 1.66 3.16 0.04 5.38 0.08 -1.26 0.73 117.98 127.77 2cp3 s PHE 68 Ca 0.06 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2cp3 s PHE 68 Cb -0.17 -2.92 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 2cp3 s PHE 68 CO 0.07 -0.70 -0.07 0.00 -0.10 0.00 0.00 175.22 174.43 2cp3 s ALA 69 N 2.20 0.49 0.51 5.36 0.00 -0.44 -4.95 121.76 124.94 2cp3 s ALA 69 Ca 0.13 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 2cp3 s ALA 69 Cb -0.17 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 2cp3 s ALA 69 CO 0.14 -0.07 0.90 -2.30 0.00 0.00 0.00 175.76 174.43 2cp3 n PRO 70 N 1.41 1.03 -0.20 0.00 -0.02 -1.26 0.74 135.00 136.69 2cp3 n PRO 70 Ca -0.22 0.38 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 2cp3 n PRO 70 Cb 0.55 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.92 1.00 -0.01 4.25 2.10 -1.09 -0.82 117.51 123.85 2cp3 h ILE 71 Ca -0.46 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.27 2cp3 h ILE 71 Cb 1.36 0.32 -0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2cp3 h ILE 71 CO 0.53 0.11 0.01 1.12 -1.08 0.00 0.00 178.15 178.85 2cp3 h HIS 72 N 0.62 0.00 0.00 2.19 2.07 -1.91 -0.82 115.15 117.31 2cp3 h HIS 72 Ca 0.25 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.60 2cp3 h HIS 72 Cb 0.11 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.07 2cp3 h HIS 72 CO -0.08 0.00 -0.79 0.87 -3.07 0.00 0.00 177.93 174.86 2cp3 h LYS 73 N 0.00 0.00 -7.01 5.12 1.79 -1.50 -3.45 116.57 111.51 2cp3 h LYS 73 Ca 0.01 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.95 2cp3 h LYS 73 Cb 0.03 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.78 2cp3 h LYS 73 CO -0.00 0.79 0.55 0.08 -1.08 0.00 0.00 179.45 179.79 2cp3 s VAL 74 N -3.16 2.63 -0.10 0.50 1.01 -0.31 -4.46 120.40 116.51 2cp3 s VAL 74 Ca -0.00 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2cp3 s VAL 74 Cb 0.11 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2cp3 s VAL 74 CO 0.79 0.00 -0.01 -0.63 0.00 0.00 0.00 175.10 175.25 2cp3 s ILE 75 N -1.42 0.58 0.20 2.22 1.01 -0.86 -4.99 121.20 117.94 2cp3 s ILE 75 Ca 0.66 -0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.90 2cp3 s ILE 75 Cb -0.34 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.27 2cp3 s ILE 75 CO 0.42 0.21 1.54 -0.60 0.00 0.00 0.00 174.94 176.50 2cp3 s ARG 76 N 1.88 4.22 -0.01 2.79 3.52 -1.26 0.25 118.95 130.33 2cp3 s ARG 76 Ca 0.04 2.36 0.26 0.00 -0.13 0.00 0.00 55.73 58.26 2cp3 s ARG 76 Cb -0.13 -3.13 0.43 0.00 -1.56 0.00 0.00 34.95 30.56 2cp3 s ARG 76 CO -0.06 -0.56 1.17 0.44 -0.81 0.00 0.00 175.30 175.47 2cp3 n ILE 77 N 3.42 0.07 -2.25 4.11 -5.35 -1.19 -4.84 119.36 113.33 2cp3 n ILE 77 Ca 0.12 -1.11 -0.39 0.00 -0.27 0.00 0.00 62.75 61.10 2cp3 n ILE 77 Cb 0.39 1.01 0.03 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.44 5.78 3.31 3.28 0.00 -1.22 -4.89 105.19 111.88 2cp3 n GLY 78 Ca 0.06 -2.55 -0.16 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.42 1.97 0.00 1.61 0.15 -1.26 -5.06 113.70 109.68 2cp3 s SER 79 Ca 0.47 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2cp3 s SER 79 Cb 0.34 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2cp3 s SER 79 CO -0.29 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2cp3 n GLY 80 N -0.34 -0.84 0.42 9.45 0.00 -1.26 -4.94 105.19 107.68 2cp3 n GLY 80 Ca -0.07 0.50 0.23 0.00 0.00 0.00 0.00 46.02 46.68 2cp3 n GLY 80 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2cp3 h PRO 81 N 0.00 0.08 -1.02 1.61 0.11 -2.05 0.88 132.00 131.61 2cp3 h PRO 81 Ca 0.00 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 2cp3 h PRO 81 Cb 0.00 -0.02 -0.29 0.00 0.11 0.00 0.00 31.00 30.80 2cp3 h PRO 81 CO 0.00 0.05 0.74 0.43 -0.21 0.00 0.00 178.00 179.02 2cp3 n SER 82 N -4.35 5.73 0.01 -2.05 7.64 -1.26 -4.48 113.62 114.85 2cp3 n SER 82 Ca 0.15 -3.65 -0.01 0.00 1.01 0.00 0.00 58.87 56.37 2cp3 n SER 82 Cb 0.77 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2cp3 n SER 82 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cp3 n SER 83 N -0.96 0.75 0.00 6.43 2.88 0.30 -5.07 113.62 117.96 2cp3 n SER 83 Ca 0.59 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2cp3 n SER 83 Cb 1.13 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 2cp3 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42