#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wp3 n GLY 9 N 0.00 0.22 2.87 1.08 0.00 -1.26 -3.62 105.19 104.48 2wp3 n GLY 9 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 2wp3 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wp3 s SER 10 N -4.00 1.01 0.82 1.61 0.15 -0.31 -4.95 113.70 108.02 2wp3 s SER 10 Ca 0.00 -0.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 2wp3 s SER 10 Cb 0.00 -0.44 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 2wp3 s SER 10 CO 0.00 -0.08 1.09 -2.16 1.20 0.00 0.00 173.24 173.29 2wp3 s PRO 11 N 1.07 1.91 0.48 5.44 0.04 -1.26 -1.06 135.00 141.62 2wp3 s PRO 11 Ca -0.09 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 2wp3 s PRO 11 Cb -0.14 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2wp3 s PRO 11 CO -0.01 -1.81 1.16 -2.14 0.04 0.00 0.00 177.00 174.25 2wp3 s PRO 12 N -4.99 3.65 0.17 0.56 0.02 -1.26 -4.41 135.00 128.74 2wp3 s PRO 12 Ca 0.62 1.74 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 2wp3 s PRO 12 Cb -0.16 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.06 2wp3 s PRO 12 CO 0.56 -0.63 0.38 0.00 -0.33 0.00 0.00 177.00 176.98 2wp3 s PHE 14 N -3.92 3.22 0.06 0.00 0.08 -1.26 -1.14 117.98 115.02 2wp3 s PHE 14 Ca 0.13 0.11 -0.14 0.00 0.12 0.00 0.00 56.93 57.14 2wp3 s PHE 14 Cb 0.01 -2.63 -0.27 0.00 -0.57 0.00 0.00 43.02 39.57 2wp3 s PHE 14 CO -0.02 -0.36 1.13 1.25 -0.10 0.00 0.00 175.22 177.12 2wp3 h LEU 15 N 8.69 0.89 -8.06 -0.37 5.85 -1.38 -3.45 115.31 117.48 2wp3 h LEU 15 Ca -0.31 -0.79 -0.51 0.00 0.84 0.00 0.00 57.88 57.12 2wp3 h LEU 15 Cb 1.15 -0.28 -0.32 0.00 0.37 0.00 0.00 40.66 41.58 2wp3 h LEU 15 CO 0.67 1.59 -0.81 -0.13 -0.34 0.00 0.00 178.44 179.41 2wp3 s ARG 16 N -3.09 1.54 -0.00 1.25 0.52 -1.09 -5.03 118.95 113.05 2wp3 s ARG 16 Ca -0.09 -0.45 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 2wp3 s ARG 16 Cb 0.06 -1.33 -0.05 0.00 0.52 0.00 0.00 34.95 34.15 2wp3 s ARG 16 CO 0.93 0.12 0.30 0.12 0.02 0.00 0.00 175.30 176.79 2wp3 s PHE 17 N 0.35 3.61 -0.34 -0.53 5.36 -1.26 -1.91 117.98 123.26 2wp3 s PHE 17 Ca -0.08 0.69 -0.29 0.00 -0.96 0.00 0.00 56.93 56.29 2wp3 s PHE 17 Cb -0.13 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2wp3 s PHE 17 CO 0.02 0.62 1.34 -1.25 -1.46 0.00 0.00 175.22 174.50 2wp3 s PRO 18 N -1.53 3.79 0.47 10.12 0.04 -1.13 -4.91 135.00 141.84 2wp3 s PRO 18 Ca 0.26 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.33 2wp3 s PRO 18 Cb -0.14 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 2wp3 s PRO 18 CO 0.14 -1.29 0.81 1.03 0.04 0.00 0.00 177.00 177.73 2wp3 s ARG 19 N 4.45 3.65 0.76 4.56 1.81 -1.26 -4.62 118.95 128.30 2wp3 s ARG 19 Ca 0.58 0.39 -0.13 0.00 -1.72 0.00 0.00 55.73 54.84 2wp3 s ARG 19 Cb -0.15 -2.34 0.06 0.00 -0.45 0.00 0.00 34.95 32.06 2wp3 s ARG 19 CO 0.27 -0.18 1.17 -1.25 -0.68 0.00 0.00 175.30 174.63 2wp3 s PRO 20 N -4.41 2.03 -0.08 3.54 0.04 -1.26 -4.82 135.00 130.04 2wp3 s PRO 20 Ca 0.50 1.59 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2wp3 s PRO 20 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2wp3 s PRO 20 CO 0.40 -1.88 -0.20 0.14 0.04 0.00 0.00 177.00 175.50 2wp3 s VAL 21 N -2.28 1.71 -0.18 -0.36 -7.23 -0.96 -5.01 120.40 106.09 2wp3 s VAL 21 Ca 0.70 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2wp3 s VAL 21 Cb -0.25 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.20 2wp3 s VAL 21 CO 0.48 0.48 -0.16 -0.13 -0.31 0.00 0.00 175.10 175.47 2wp3 s ARG 22 N 0.40 3.13 0.00 4.82 0.52 -1.26 -0.85 118.95 125.71 2wp3 s ARG 22 Ca -0.16 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2wp3 s ARG 22 Cb -0.17 -2.67 -0.00 0.00 0.52 0.00 0.00 34.95 32.63 2wp3 s ARG 22 CO 0.07 -0.14 -0.00 0.54 0.02 0.00 0.00 175.30 175.78 2wp3 s VAL 23 N 1.20 0.03 0.31 3.52 0.11 -0.58 -4.99 120.40 119.99 2wp3 s VAL 23 Ca 0.02 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 2wp3 s VAL 23 Cb -0.14 -0.04 -0.10 0.00 -1.53 0.00 0.00 36.38 34.57 2wp3 s VAL 23 CO -0.07 -0.01 1.22 0.54 -3.33 0.00 0.00 175.10 173.44 2wp3 s VAL 24 N -0.06 3.05 0.11 2.04 0.11 -1.26 -0.49 120.40 123.90 2wp3 s VAL 24 Ca -0.00 1.06 -0.35 0.00 -2.93 0.00 0.00 61.98 59.75 2wp3 s VAL 24 Cb -0.00 -3.68 -0.16 0.00 -1.53 0.00 0.00 36.38 31.00 2wp3 s VAL 24 CO -0.00 0.25 1.29 -0.24 -3.33 0.00 0.00 175.10 173.07 2wp3 n SER 25 N 0.97 1.57 0.00 3.54 2.88 -0.04 -1.46 113.62 121.08 2wp3 n SER 25 Ca -0.01 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2wp3 n SER 25 Cb 0.43 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2wp3 n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wp3 n GLY 26 N 2.38 2.12 3.88 0.46 0.00 0.12 -4.71 105.19 109.44 2wp3 n GLY 26 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2wp3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wp3 s ALA 27 N -2.35 3.51 0.35 4.61 0.00 -0.54 -4.39 121.76 122.96 2wp3 s ALA 27 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 2wp3 s ALA 27 Cb 0.00 -2.48 -0.11 0.00 0.00 0.00 0.00 23.12 20.53 2wp3 s ALA 27 CO 0.00 0.31 1.46 -2.00 0.00 0.00 0.00 175.76 175.53 2wp3 s GLU 28 N -3.25 4.17 -0.00 0.00 2.12 -1.24 -0.00 118.70 120.50 2wp3 s GLU 28 Ca 0.48 2.48 0.04 0.00 0.36 0.00 0.00 54.97 58.33 2wp3 s GLU 28 Cb -0.11 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 2wp3 s GLU 28 CO 0.25 -0.46 -0.12 0.00 -0.54 0.00 0.00 175.26 174.39 2wp3 s ALA 29 N -0.97 1.02 -0.02 6.30 0.00 -0.64 -4.89 121.76 122.56 2wp3 s ALA 29 Ca 0.53 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 2wp3 s ALA 29 Cb -0.45 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.46 2wp3 s ALA 29 CO 0.59 0.24 0.03 -2.00 0.00 0.00 0.00 175.76 174.62 2wp3 s GLU 30 N -0.45 -0.03 0.03 0.00 2.12 -1.26 -0.30 118.70 118.82 2wp3 s GLU 30 Ca 0.04 0.18 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 2wp3 s GLU 30 Cb -0.05 -0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.07 2wp3 s GLU 30 CO -0.00 -0.15 0.33 -0.51 -0.54 0.00 0.00 175.26 174.39 2wp3 s LEU 31 N 0.94 4.37 -0.09 2.70 1.43 -0.20 -4.94 118.68 122.90 2wp3 s LEU 31 Ca -0.08 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2wp3 s LEU 31 Cb -0.11 -2.78 0.02 0.00 0.03 0.00 0.00 46.19 43.34 2wp3 s LEU 31 CO -0.03 0.23 -0.13 -0.54 0.23 0.00 0.00 176.35 176.11 2wp3 s LYS 32 N -1.76 1.85 -0.26 1.70 1.02 -1.26 -0.67 119.74 120.35 2wp3 s LYS 32 Ca 0.29 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 2wp3 s LYS 32 Cb -0.14 -1.59 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 2wp3 s LYS 32 CO 0.16 -0.04 -0.05 0.00 -0.92 0.00 0.00 175.35 174.51 2wp3 s VAL 34 N 1.30 3.28 -0.04 0.00 1.01 -0.80 -1.19 120.40 123.95 2wp3 s VAL 34 Ca -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2wp3 s VAL 34 Cb -0.18 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2wp3 s VAL 34 CO -0.03 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 174.56 2wp3 s VAL 35 N 1.43 1.08 0.43 2.92 1.01 -0.44 -0.90 120.40 125.92 2wp3 s VAL 35 Ca 0.04 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2wp3 s VAL 35 Cb -0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2wp3 s VAL 35 CO -0.03 0.32 0.22 -0.76 0.00 0.00 0.00 175.10 174.86 2wp3 s LEU 36 N 0.18 3.10 0.00 3.92 1.43 -0.29 -4.55 118.68 122.47 2wp3 s LEU 36 Ca -0.04 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2wp3 s LEU 36 Cb -0.10 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2wp3 s LEU 36 CO 0.01 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2wp3 n GLY 37 N -1.33 3.48 2.83 -3.19 0.00 -1.26 -1.83 105.19 103.89 2wp3 n GLY 37 Ca -0.01 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 2wp3 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wp3 s GLU 38 N -2.37 0.86 1.02 1.61 0.41 -0.23 -3.24 118.70 116.76 2wp3 s GLU 38 Ca 0.00 -0.01 -0.12 0.00 -0.41 0.00 0.00 54.97 54.43 2wp3 s GLU 38 Cb 0.00 -1.09 0.18 0.00 -1.78 0.00 0.00 34.13 31.44 2wp3 s GLU 38 CO 0.00 -0.25 0.95 -2.30 -0.49 0.00 0.00 175.26 173.17 2wp3 n PRO 39 N 4.89 -1.13 -1.63 0.39 -0.02 -1.26 -1.17 135.00 135.06 2wp3 n PRO 39 Ca -0.12 -0.28 -0.50 0.00 -2.02 0.00 0.00 63.50 60.58 2wp3 n PRO 39 Cb 0.50 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2wp3 n PRO 39 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wp3 n PRO 40 N -4.03 1.52 -2.09 0.52 -0.02 -1.20 -4.86 135.00 124.85 2wp3 n PRO 40 Ca 0.08 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 2wp3 n PRO 40 Cb 0.53 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 2wp3 n PRO 40 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2wp3 s PRO 41 N 1.17 3.57 0.08 0.52 0.02 -1.26 -4.93 135.00 134.17 2wp3 s PRO 41 Ca 0.85 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.52 2wp3 s PRO 41 Cb -0.86 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 2wp3 s PRO 41 CO 0.46 -0.76 0.98 0.54 -0.33 0.00 0.00 177.00 177.90 2wp3 s VAL 42 N -1.44 4.58 -0.18 3.83 0.11 -0.79 -4.83 120.40 121.67 2wp3 s VAL 42 Ca 0.66 2.03 -0.00 0.00 -2.93 0.00 0.00 61.98 61.74 2wp3 s VAL 42 Cb -0.33 -4.30 0.01 0.00 -1.53 0.00 0.00 36.38 30.23 2wp3 s VAL 42 CO 0.40 0.26 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.59 2wp3 s VAL 43 N 0.34 2.50 -0.09 2.04 1.01 -1.26 -0.85 120.40 124.10 2wp3 s VAL 43 Ca 0.49 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2wp3 s VAL 43 Cb -0.23 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2wp3 s VAL 43 CO 0.29 0.51 -0.23 0.68 0.00 0.00 0.00 175.10 176.35 2wp3 s VAL 44 N 1.21 1.97 -0.09 2.92 -7.23 -0.21 -4.97 120.40 114.00 2wp3 s VAL 44 Ca 0.02 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 2wp3 s VAL 44 Cb -0.14 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2wp3 s VAL 44 CO -0.07 0.54 0.54 0.26 -0.31 0.00 0.00 175.10 176.06 2wp3 s TRP 45 N 0.27 3.56 0.18 2.82 0.52 -1.26 -1.59 118.94 123.44 2wp3 s TRP 45 Ca -0.16 1.02 0.09 0.00 0.02 0.00 0.00 56.10 57.08 2wp3 s TRP 45 Cb -0.17 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 2wp3 s TRP 45 CO 0.07 0.20 -0.20 -1.21 0.02 0.00 0.00 176.95 175.84 2wp3 s GLU 46 N 0.47 1.36 -0.01 4.98 2.02 0.10 -1.28 118.70 126.33 2wp3 s GLU 46 Ca 0.29 -1.46 -0.00 0.00 0.02 0.00 0.00 54.97 53.82 2wp3 s GLU 46 Cb -0.16 -1.49 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2wp3 s GLU 46 CO 0.13 0.31 0.02 0.21 0.02 0.00 0.00 175.26 175.95 2wp3 s LYS 47 N -2.81 -0.02 -1.54 1.61 2.20 0.54 -1.41 119.74 118.31 2wp3 s LYS 47 Ca 0.18 0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.77 2wp3 s LYS 47 Cb -0.06 -0.14 0.09 0.00 -1.51 0.00 0.00 37.83 36.20 2wp3 s LYS 47 CO 0.08 -0.10 0.96 0.41 -0.36 0.00 0.00 175.35 176.34 2wp3 n GLY 48 N 3.73 -0.48 2.68 5.54 0.00 -1.26 -1.68 105.19 113.71 2wp3 n GLY 48 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wp3 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wp3 n GLY 49 N -1.68 0.20 3.52 -0.02 0.00 -1.26 -5.00 105.19 100.96 2wp3 n GLY 49 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wp3 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wp3 s GLN 50 N -1.22 2.94 0.09 1.61 -1.52 -0.68 -5.07 119.66 115.81 2wp3 s GLN 50 Ca 0.00 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 52.52 2wp3 s GLN 50 Cb 0.00 -2.61 -0.06 0.00 -0.22 0.00 0.00 33.01 30.12 2wp3 s GLN 50 CO 0.00 0.53 1.19 -0.65 -0.25 0.00 0.00 175.29 176.11 2wp3 s GLN 51 N -0.46 4.46 0.47 2.91 -0.21 -1.26 -0.34 119.66 125.23 2wp3 s GLN 51 Ca 0.06 1.78 -0.13 0.00 0.02 0.00 0.00 55.36 57.09 2wp3 s GLN 51 Cb -0.12 -3.32 -0.07 0.00 1.00 0.00 0.00 33.01 30.50 2wp3 s GLN 51 CO 0.02 -0.19 0.89 -0.51 -2.12 0.00 0.00 175.29 173.38 2wp3 s LEU 52 N 0.70 3.70 -0.07 2.90 1.43 -0.41 -4.90 118.68 122.04 2wp3 s LEU 52 Ca 0.57 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2wp3 s LEU 52 Cb -0.30 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 2wp3 s LEU 52 CO 0.31 -0.52 -0.08 0.00 0.23 0.00 0.00 176.35 176.29 2wp3 s ALA 53 N -2.54 2.93 0.58 4.21 0.00 -1.26 -4.93 121.76 120.75 2wp3 s ALA 53 Ca 0.55 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 51.40 2wp3 s ALA 53 Cb -0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2wp3 s ALA 53 CO 0.32 0.56 1.34 0.00 0.00 0.00 0.00 175.76 177.99 2wp3 s ALA 54 N -0.77 2.69 0.00 0.00 0.00 -1.26 -4.88 121.76 117.53 2wp3 s ALA 54 Ca 0.12 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2wp3 s ALA 54 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2wp3 s ALA 54 CO 0.01 -1.45 0.00 -1.13 0.00 0.00 0.00 175.76 173.19 2wp3 n SER 55 N -1.29 0.00 0.00 0.00 3.41 0.48 -4.99 113.62 111.23 2wp3 n SER 55 Ca 0.12 -0.76 0.13 0.00 -0.26 0.00 0.00 58.87 58.10 2wp3 n SER 55 Cb 0.46 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 65.00 2wp3 n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wp3 n GLU 56 N 0.00 0.03 0.00 4.33 -0.58 -1.26 -3.67 120.64 119.49 2wp3 n GLU 56 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2wp3 n GLU 56 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2wp3 n GLU 56 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2wp3 n ARG 57 N -1.48 6.05 -3.96 3.49 1.85 -1.26 -4.88 116.66 116.47 2wp3 n ARG 57 Ca 0.07 -0.03 -0.22 0.00 -1.00 0.00 0.00 57.85 56.66 2wp3 n ARG 57 Cb 0.31 -0.51 -0.17 0.00 -1.05 0.00 0.00 32.46 31.04 2wp3 n ARG 57 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2wp3 s LEU 58 N -1.75 0.98 0.15 2.89 2.96 -1.24 -1.39 118.68 121.28 2wp3 s LEU 58 Ca 0.00 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2wp3 s LEU 58 Cb 0.00 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 2wp3 s LEU 58 CO 0.00 -0.12 0.06 -0.94 -1.32 0.00 0.00 176.35 174.02 2wp3 s SER 59 N 1.49 0.45 -0.49 3.68 1.04 -0.58 -0.39 113.70 118.91 2wp3 s SER 59 Ca -0.02 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.25 2wp3 s SER 59 Cb -0.13 0.28 0.26 0.00 0.10 0.00 0.00 66.02 66.53 2wp3 s SER 59 CO -0.03 -0.72 0.65 0.49 0.98 0.00 0.00 173.24 174.60 2wp3 n PHE 60 N -0.15 1.39 -1.71 5.02 3.72 -1.26 -1.04 117.46 123.43 2wp3 n PHE 60 Ca -0.04 -3.82 -0.43 0.00 -0.05 0.00 0.00 57.45 53.10 2wp3 n PHE 60 Cb 0.64 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 2wp3 n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wp3 n PRO 61 N 1.00 2.61 -4.78 -1.08 -0.04 -1.23 -4.64 135.00 126.84 2wp3 n PRO 61 Ca 0.25 0.94 -0.25 0.00 -0.04 0.00 0.00 63.50 64.40 2wp3 n PRO 61 Cb 0.49 -2.76 -0.16 0.00 -0.04 0.00 0.00 33.50 31.03 2wp3 n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wp3 s ALA 62 N 0.97 1.43 -0.27 0.55 0.00 -1.26 -0.39 121.76 122.78 2wp3 s ALA 62 Ca 0.75 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2wp3 s ALA 62 Cb -0.55 -0.44 0.15 0.00 0.00 0.00 0.00 23.12 22.27 2wp3 s ALA 62 CO 0.35 0.28 0.38 0.34 0.00 0.00 0.00 175.76 177.11 2wp3 s ASP 63 N -0.07 0.60 1.11 0.00 -1.08 -0.26 -5.03 116.67 111.95 2wp3 s ASP 63 Ca -0.01 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 2wp3 s ASP 63 Cb -0.10 0.98 0.00 0.00 -1.46 0.00 0.00 42.92 42.35 2wp3 s ASP 63 CO 0.01 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 175.97 2wp3 n GLY 64 N 5.35 3.29 0.12 2.66 0.00 -1.26 -1.33 105.19 114.03 2wp3 n GLY 64 Ca -0.01 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2wp3 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wp3 n ALA 65 N 10.93 2.08 -2.67 4.61 0.00 -1.26 -4.77 120.51 129.43 2wp3 n ALA 65 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2wp3 n ALA 65 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 2wp3 n ALA 65 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wp3 s GLU 66 N -3.18 4.41 -0.35 0.00 2.02 -0.44 -1.33 118.70 119.83 2wp3 s GLU 66 Ca 0.08 1.40 -0.00 0.00 0.02 0.00 0.00 54.97 56.47 2wp3 s GLU 66 Cb 0.11 -3.55 0.12 0.00 0.10 0.00 0.00 34.13 30.91 2wp3 s GLU 66 CO 0.54 -0.34 0.17 -1.01 0.02 0.00 0.00 175.26 174.63 2wp3 s HIS 67 N 2.11 1.29 0.41 1.61 3.76 -0.34 -1.10 115.29 123.03 2wp3 s HIS 67 Ca 0.48 -1.75 0.02 0.00 -0.15 0.00 0.00 55.06 53.66 2wp3 s HIS 67 Cb -0.18 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2wp3 s HIS 67 CO 0.17 -0.83 0.61 0.20 -0.85 0.00 0.00 174.74 174.05 2wp3 s GLY 68 N 1.22 1.54 -0.19 -2.22 0.00 0.47 -1.19 107.32 106.95 2wp3 s GLY 68 Ca 0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 2wp3 s GLY 68 CO -0.13 -0.98 -0.02 -2.27 0.00 0.00 0.00 173.10 169.69 2wp3 s LEU 69 N -4.45 1.66 -0.17 0.66 0.20 0.15 -3.50 118.68 113.23 2wp3 s LEU 69 Ca 0.47 -0.81 -0.00 0.00 0.69 0.00 0.00 54.13 54.48 2wp3 s LEU 69 Cb -0.10 -0.85 0.00 0.00 -0.43 0.00 0.00 46.19 44.81 2wp3 s LEU 69 CO 0.36 -0.23 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.82 2wp3 s LEU 70 N 1.66 2.45 -0.27 -0.68 2.96 -0.21 -1.03 118.68 123.57 2wp3 s LEU 70 Ca -0.01 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 2wp3 s LEU 70 Cb -0.17 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 2wp3 s LEU 70 CO -0.07 0.05 0.07 -0.76 -1.32 0.00 0.00 176.35 174.32 2wp3 s LEU 71 N 1.03 3.60 0.32 -0.68 1.43 0.59 -1.52 118.68 123.45 2wp3 s LEU 71 Ca -0.01 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2wp3 s LEU 71 Cb -0.15 -1.90 0.59 0.00 0.03 0.00 0.00 46.19 44.76 2wp3 s LEU 71 CO -0.04 -0.10 1.93 0.71 0.23 0.00 0.00 176.35 179.08 2wp3 h THR 72 N 5.68 1.06 -1.04 5.49 1.35 -1.52 -1.71 112.91 122.22 2wp3 h THR 72 Ca -0.36 -0.33 0.02 0.00 -0.55 0.00 0.00 66.41 65.19 2wp3 h THR 72 Cb 1.15 0.03 -0.21 0.00 -1.73 0.00 0.00 68.15 67.39 2wp3 h THR 72 CO 0.59 0.17 -0.39 0.00 -0.25 0.00 0.00 175.52 175.65 2wp3 s ALA 73 N -5.83 -2.32 0.47 6.62 0.00 -1.26 -3.63 121.76 115.80 2wp3 s ALA 73 Ca -0.11 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.62 2wp3 s ALA 73 Cb 0.20 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 2wp3 s ALA 73 CO 0.79 -1.82 1.35 0.00 0.00 0.00 0.00 175.76 176.07 2wp3 s ALA 74 N 2.81 3.09 0.22 0.00 0.00 1.00 -4.67 121.76 124.20 2wp3 s ALA 74 Ca 0.10 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.45 2wp3 s ALA 74 Cb -0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2wp3 s ALA 74 CO -0.26 -1.10 -0.14 -0.51 0.00 0.00 0.00 175.76 173.75 2wp3 s LEU 75 N -2.93 2.55 0.35 0.00 1.43 -1.26 0.11 118.68 118.94 2wp3 s LEU 75 Ca 0.63 -1.04 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2wp3 s LEU 75 Cb -0.40 -0.72 0.84 0.00 0.03 0.00 0.00 46.19 45.94 2wp3 s LEU 75 CO 0.49 -0.16 1.83 -0.65 0.23 0.00 0.00 176.35 178.09 2wp3 h PRO 76 N 2.49 0.65 0.00 1.29 0.11 -1.96 0.12 132.00 134.69 2wp3 h PRO 76 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2wp3 h PRO 76 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wp3 h PRO 76 CO 0.62 0.43 0.00 0.25 -0.21 0.00 0.00 178.00 179.09 2wp3 n THR 77 N -4.61 0.94 0.62 -1.15 -2.24 -1.26 -1.69 114.28 104.89 2wp3 n THR 77 Ca 0.20 0.30 0.13 0.00 -2.27 0.00 0.00 64.05 62.41 2wp3 n THR 77 Cb 0.55 -1.21 0.45 0.00 -2.10 0.00 0.00 70.33 68.02 2wp3 n THR 77 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wp3 n ASP 78 N -2.05 0.66 -4.75 3.42 8.00 0.03 -4.89 116.55 116.97 2wp3 n ASP 78 Ca 0.02 0.58 -0.37 0.00 0.71 0.00 0.00 54.79 55.73 2wp3 n ASP 78 Cb 0.18 -0.75 0.04 0.00 -0.02 0.00 0.00 41.12 40.58 2wp3 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wp3 s ALA 79 N -3.13 2.59 0.00 2.24 0.00 -0.68 -4.79 121.76 117.98 2wp3 s ALA 79 Ca 0.10 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2wp3 s ALA 79 Cb 0.12 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2wp3 s ALA 79 CO 0.53 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2wp3 n GLY 80 N 0.70 0.82 3.67 0.00 0.00 -0.48 -4.95 105.19 104.95 2wp3 n GLY 80 Ca 0.13 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 2wp3 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wp3 s VAL 81 N -1.64 5.25 0.01 1.61 1.01 -1.26 -0.20 120.40 125.18 2wp3 s VAL 81 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2wp3 s VAL 81 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2wp3 s VAL 81 CO 0.00 0.39 -0.05 -0.31 0.00 0.00 0.00 175.10 175.14 2wp3 s TYR 82 N 0.74 2.94 -0.13 5.22 1.51 0.04 -4.24 117.35 123.43 2wp3 s TYR 82 Ca 0.07 -0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2wp3 s TYR 82 Cb -0.13 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 2wp3 s TYR 82 CO 0.02 0.40 -0.21 0.08 -1.11 0.00 0.00 175.55 174.73 2wp3 s VAL 83 N -1.03 1.95 -0.38 0.71 1.01 -0.50 -0.66 120.40 121.49 2wp3 s VAL 83 Ca 0.18 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 2wp3 s VAL 83 Cb -0.11 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2wp3 s VAL 83 CO 0.09 0.53 0.53 0.00 0.00 0.00 0.00 175.10 176.25 2wp3 s ARG 85 N 2.46 3.05 -0.12 0.00 3.52 -0.62 -1.64 118.95 125.59 2wp3 s ARG 85 Ca 0.19 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2wp3 s ARG 85 Cb -0.15 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 2wp3 s ARG 85 CO 0.15 -0.33 -0.01 0.00 -0.81 0.00 0.00 175.30 174.29 2wp3 s ALA 86 N 1.40 3.17 -0.05 6.12 0.00 -0.01 -1.05 121.76 131.34 2wp3 s ALA 86 Ca 0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2wp3 s ALA 86 Cb -0.16 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.47 2wp3 s ALA 86 CO -0.04 0.42 0.10 0.50 0.00 0.00 0.00 175.76 176.74 2wp3 s ARG 87 N -0.32 0.03 0.14 0.00 3.52 -0.03 -1.15 118.95 121.15 2wp3 s ARG 87 Ca 0.06 0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 2wp3 s ARG 87 Cb -0.12 -0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 2wp3 s ARG 87 CO 0.02 -0.17 0.11 0.27 -0.81 0.00 0.00 175.30 174.72 2wp3 n ASN 88 N 4.22 -0.06 0.16 -2.12 0.23 -0.70 -1.89 115.26 115.10 2wp3 n ASN 88 Ca -0.27 -1.91 0.07 0.00 -0.53 0.00 0.00 54.58 51.94 2wp3 n ASN 88 Cb 0.51 0.65 0.56 0.00 -2.08 0.00 0.00 39.78 39.42 2wp3 n ASN 88 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wp3 h ALA 89 N 1.42 1.90 0.00 -2.53 0.00 -1.87 -2.74 119.26 115.44 2wp3 h ALA 89 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wp3 h ALA 89 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wp3 h ALA 89 CO 0.15 0.09 -0.62 0.00 0.00 0.00 0.00 179.25 178.87 2wp3 h ALA 90 N 1.91 0.65 0.00 0.00 0.00 -1.85 -3.49 119.26 116.47 2wp3 h ALA 90 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wp3 h ALA 90 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wp3 h ALA 90 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2wp3 n GLY 91 N 1.24 -0.78 2.99 0.00 0.00 -1.04 -4.72 105.19 102.89 2wp3 n GLY 91 Ca 0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 2wp3 n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wp3 s GLU 92 N -1.13 0.35 0.01 1.61 2.02 -1.26 -1.72 118.70 118.58 2wp3 s GLU 92 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.46 2wp3 s GLU 92 Cb 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 2wp3 s GLU 92 CO 0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 175.26 175.18 2wp3 s ALA 93 N -1.20 0.76 -0.03 5.21 0.00 -0.30 -4.78 121.76 121.42 2wp3 s ALA 93 Ca -0.12 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2wp3 s ALA 93 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2wp3 s ALA 93 CO -0.00 0.15 -0.11 0.71 0.00 0.00 0.00 175.76 176.50 2wp3 s TYR 94 N -0.52 1.15 -0.08 0.00 2.02 -1.26 -0.83 117.35 117.83 2wp3 s TYR 94 Ca 0.01 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 2wp3 s TYR 94 Cb -0.05 -0.80 0.04 0.00 -0.40 0.00 0.00 41.96 40.75 2wp3 s TYR 94 CO 0.00 -0.11 0.17 0.00 -1.57 0.00 0.00 175.55 174.05 2wp3 s ALA 95 N 0.11 -0.34 0.07 3.71 0.00 -0.65 -5.00 121.76 119.64 2wp3 s ALA 95 Ca -0.03 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2wp3 s ALA 95 Cb -0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2wp3 s ALA 95 CO 0.01 -0.18 0.14 0.00 0.00 0.00 0.00 175.76 175.73 2wp3 s ALA 96 N 1.22 3.77 -0.04 0.00 0.00 -1.26 -0.16 121.76 125.30 2wp3 s ALA 96 Ca -0.09 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2wp3 s ALA 96 Cb -0.11 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2wp3 s ALA 96 CO -0.07 0.78 0.21 0.00 0.00 0.00 0.00 175.76 176.68 2wp3 s ALA 97 N -1.43 -0.51 -0.14 0.00 0.00 0.17 -4.91 121.76 114.94 2wp3 s ALA 97 Ca 0.32 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 2wp3 s ALA 97 Cb -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2wp3 s ALA 97 CO 0.24 -0.17 0.12 0.00 0.00 0.00 0.00 175.76 175.96 2wp3 s ALA 98 N -0.67 3.77 -0.22 0.00 0.00 -1.26 -0.78 121.76 122.60 2wp3 s ALA 98 Ca -0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 2wp3 s ALA 98 Cb -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2wp3 s ALA 98 CO 0.01 0.50 0.11 0.08 0.00 0.00 0.00 175.76 176.47 2wp3 s VAL 99 N -0.67 5.00 -0.14 0.00 1.01 0.72 -2.26 120.40 124.06 2wp3 s VAL 99 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2wp3 s VAL 99 Cb -0.12 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2wp3 s VAL 99 CO 0.02 0.39 -0.07 -0.89 0.00 0.00 0.00 175.10 174.55 2wp3 s THR 100 N 0.88 3.61 -0.19 3.92 2.01 -0.03 -1.39 115.64 124.45 2wp3 s THR 100 Ca 0.06 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 2wp3 s THR 100 Cb -0.13 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 2wp3 s THR 100 CO 0.03 0.51 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 2wp3 s VAL 101 N 0.27 3.01 0.06 3.82 1.01 -1.26 -1.53 120.40 125.79 2wp3 s VAL 101 Ca -0.05 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2wp3 s VAL 101 Cb -0.14 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2wp3 s VAL 101 CO 0.04 0.47 0.16 -0.76 0.00 0.00 0.00 175.10 175.01 2wp3 s LEU 102 N 1.18 4.15 0.37 3.92 1.43 0.36 -4.86 118.68 125.23 2wp3 s LEU 102 Ca 0.02 0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 2wp3 s LEU 102 Cb -0.14 -2.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.22 2wp3 s LEU 102 CO -0.03 0.17 1.19 -1.61 0.23 0.00 0.00 176.35 176.31 2wp3 s GLU 103 N -2.44 4.20 0.00 1.70 0.41 -1.26 -0.86 118.70 120.44 2wp3 s GLU 103 Ca 0.33 1.93 0.02 0.00 -0.41 0.00 0.00 54.97 56.84 2wp3 s GLU 103 Cb -0.13 -2.84 0.14 0.00 -1.78 0.00 0.00 34.13 29.52 2wp3 s GLU 103 CO 0.25 -0.22 0.62 -2.30 -0.49 0.00 0.00 175.26 173.12