#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shm s GLN 3 N 0.00 1.68 -0.06 5.55 -0.21 -0.78 -5.01 119.66 120.83 1shm s GLN 3 Ca 0.00 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.91 1shm s GLN 3 Cb 0.00 -1.43 0.01 0.00 1.00 0.00 0.00 33.01 32.59 1shm s GLN 3 CO 0.00 0.14 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.66 1shm s LEU 4 N 0.31 1.75 -0.05 2.90 1.43 -1.26 -1.48 118.68 122.29 1shm s LEU 4 Ca -0.08 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1shm s LEU 4 Cb -0.13 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.25 1shm s LEU 4 CO 0.03 0.07 -0.01 -1.58 0.23 0.00 0.00 176.35 175.09 1shm s GLN 5 N 0.44 0.54 0.25 1.70 2.00 -0.79 -4.24 119.66 119.55 1shm s GLN 5 Ca -0.11 0.06 -0.06 0.00 -2.00 0.00 0.00 55.36 53.25 1shm s GLN 5 Cb -0.14 -0.76 -0.06 0.00 0.80 0.00 0.00 33.01 32.85 1shm s GLN 5 CO 0.03 -0.19 0.52 -1.21 -0.50 0.00 0.00 175.29 173.94 1shm s GLU 6 N 1.41 3.67 0.34 1.67 8.01 -1.26 -1.12 118.70 131.42 1shm s GLU 6 Ca -0.04 0.05 -0.15 0.00 0.01 0.00 0.00 54.97 54.84 1shm s GLU 6 Cb -0.13 -2.68 0.04 0.00 -4.31 0.00 0.00 34.13 27.04 1shm s GLU 6 CO -0.03 0.28 0.71 -1.54 0.01 0.00 0.00 175.26 174.69 1shm s SER 7 N -2.86 0.05 0.00 -0.19 1.04 0.39 -4.90 113.70 107.24 1shm s SER 7 Ca 0.44 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1shm s SER 7 Cb -0.11 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1shm s SER 7 CO 0.27 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.59 1shm n GLY 8 N -0.51 0.60 3.84 7.32 0.00 -1.26 -0.90 105.19 114.29 1shm n GLY 8 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1shm n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1shm s GLY 9 N -1.25 1.75 0.00 -0.02 0.00 -1.26 -4.43 107.32 102.12 1shm s GLY 9 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1shm s GLY 9 CO 0.00 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.33 1shm n GLY 10 N -3.08 -0.50 3.47 0.20 0.00 -0.52 -4.99 105.19 99.76 1shm n GLY 10 Ca 0.16 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1shm n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1shm s LEU 11 N 0.00 3.23 -0.00 0.99 2.96 -1.26 -1.35 118.68 123.25 1shm s LEU 11 Ca 0.00 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1shm s LEU 11 Cb 0.00 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1shm s LEU 11 CO 0.00 0.13 0.07 0.54 -1.32 0.00 0.00 176.35 175.77 1shm s VAL 12 N 0.63 0.06 0.38 1.68 0.11 0.02 -4.99 120.40 118.29 1shm s VAL 12 Ca -0.02 -0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 58.26 1shm s VAL 12 Cb -0.14 -0.28 -0.09 0.00 -1.53 0.00 0.00 36.38 34.34 1shm s VAL 12 CO 0.02 -0.29 1.05 -1.58 -3.33 0.00 0.00 175.10 170.98 1shm s GLN 13 N -0.92 4.24 0.33 1.54 0.74 -1.26 -0.81 119.66 123.52 1shm s GLN 13 Ca -0.10 1.55 -0.28 0.00 0.05 0.00 0.00 55.36 56.58 1shm s GLN 13 Cb -0.06 -2.64 -0.13 0.00 1.10 0.00 0.00 33.01 31.28 1shm s GLN 13 CO 0.00 -0.08 1.22 0.00 -0.55 0.00 0.00 175.29 175.88 1shm n ALA 14 N 0.13 0.92 0.00 1.58 0.00 -0.62 -1.55 120.51 120.97 1shm n ALA 14 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1shm n ALA 14 Cb 0.49 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1shm n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shm n GLY 15 N 0.88 3.18 3.89 0.00 0.00 -0.26 -4.95 105.19 107.93 1shm n GLY 15 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1shm n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1shm s GLY 16 N -2.84 1.78 0.27 -0.02 0.00 -0.60 -4.00 107.32 101.92 1shm s GLY 16 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.53 1shm s GLY 16 CO 0.00 -0.43 -0.08 -0.56 0.00 0.00 0.00 173.10 172.03 1shm s SER 17 N -4.81 2.79 0.10 1.64 0.01 -1.26 -1.70 113.70 110.47 1shm s SER 17 Ca 0.75 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 1shm s SER 17 Cb -0.03 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1shm s SER 17 CO 0.54 -0.29 0.03 -0.76 0.41 0.00 0.00 173.24 173.17 1shm s LEU 18 N -3.43 1.98 -0.20 2.44 1.43 -0.62 -5.00 118.68 115.29 1shm s LEU 18 Ca 0.28 -1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1shm s LEU 18 Cb 0.03 0.29 0.05 0.00 0.03 0.00 0.00 46.19 46.59 1shm s LEU 18 CO 0.11 -0.69 -0.04 -0.60 0.23 0.00 0.00 176.35 175.36 1shm s ARG 19 N -4.00 1.37 0.42 1.70 3.52 -1.26 -0.47 118.95 120.23 1shm s ARG 19 Ca 0.18 -0.68 -0.19 0.00 -0.13 0.00 0.00 55.73 54.91 1shm s ARG 19 Cb 0.08 -2.26 -0.10 0.00 -1.56 0.00 0.00 34.95 31.11 1shm s ARG 19 CO -0.02 -0.53 0.91 -0.51 -0.81 0.00 0.00 175.30 174.33 1shm s LEU 20 N 1.58 3.92 -0.01 -0.88 1.43 -0.37 -4.48 118.68 119.86 1shm s LEU 20 Ca -0.02 1.57 0.04 0.00 -1.03 0.00 0.00 54.13 54.69 1shm s LEU 20 Cb -0.17 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 1shm s LEU 20 CO -0.07 -0.36 -0.13 -0.44 0.23 0.00 0.00 176.35 175.57 1shm s SER 21 N -2.36 1.58 -0.27 2.29 0.01 -0.08 -1.11 113.70 113.77 1shm s SER 21 Ca 0.60 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.61 1shm s SER 21 Cb -0.09 -0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.00 1shm s SER 21 CO 0.17 0.16 0.03 0.00 0.41 0.00 0.00 173.24 174.01 1shm s ALA 23 N 1.52 3.44 -0.03 0.00 0.00 -0.28 -1.73 121.76 124.67 1shm s ALA 23 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1shm s ALA 23 Cb -0.18 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1shm s ALA 23 CO -0.14 0.08 -0.23 0.00 0.00 0.00 0.00 175.76 175.47 1shm s ALA 24 N 0.12 2.28 -0.11 0.00 0.00 -0.17 -1.89 121.76 122.00 1shm s ALA 24 Ca 0.33 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1shm s ALA 24 Cb -0.18 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1shm s ALA 24 CO 0.17 0.53 -0.21 -1.54 0.00 0.00 0.00 175.76 174.72 1shm s SER 25 N -0.61 2.82 0.14 0.00 1.04 -0.55 -4.85 113.70 111.69 1shm s SER 25 Ca 0.10 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1shm s SER 25 Cb -0.10 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1shm s SER 25 CO -0.00 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1shm n GLY 26 N 3.82 -3.00 3.36 7.32 0.00 -1.26 -1.86 105.19 113.57 1shm n GLY 26 Ca -0.20 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1shm n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shm n ALA 27 N -2.00 -1.13 0.15 4.61 0.00 -1.26 -4.78 120.51 116.09 1shm n ALA 27 Ca -0.01 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.77 1shm n ALA 27 Cb 0.13 -4.37 0.08 0.00 0.00 0.00 0.00 19.45 15.29 1shm n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1shm n THR 28 N -4.63 0.47 -0.94 0.00 -2.24 -1.26 -4.80 114.28 100.88 1shm n THR 28 Ca -0.04 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 1shm n THR 28 Cb 0.58 0.88 0.16 0.00 -2.10 0.00 0.00 70.33 69.85 1shm n THR 28 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1shm s GLY 29 N -0.90 1.63 0.50 3.38 0.00 -1.26 -4.89 107.32 105.78 1shm s GLY 29 Ca 0.16 0.16 0.17 0.00 0.00 0.00 0.00 44.72 45.21 1shm s GLY 29 CO 0.13 0.66 2.09 1.48 0.00 0.00 0.00 173.10 177.46 1shm h SER 30 N -1.79 0.09 0.10 1.64 4.64 -1.96 -2.12 113.55 114.15 1shm h SER 30 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1shm h SER 30 Cb 1.28 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1shm h SER 30 CO 0.49 0.06 -0.05 0.35 -0.87 0.00 0.00 176.83 176.81 1shm n THR 31 N -4.49 0.00 -3.24 2.95 -2.24 -1.26 -2.14 114.28 103.86 1shm n THR 31 Ca 0.01 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1shm n THR 31 Cb 0.22 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1shm n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1shm s TYR 32 N -2.16 3.46 0.19 4.78 1.51 -0.80 -4.84 117.35 119.49 1shm s TYR 32 Ca 0.37 0.78 0.10 0.00 -1.01 0.00 0.00 57.07 57.30 1shm s TYR 32 Cb 0.21 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1shm s TYR 32 CO 0.39 0.13 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.33 1shm s ASP 33 N -3.00 4.08 -0.04 2.29 1.01 0.57 -1.99 116.67 119.59 1shm s ASP 33 Ca 0.46 -0.65 0.03 0.00 0.71 0.00 0.00 52.55 53.10 1shm s ASP 33 Cb -0.11 -0.62 0.00 0.00 1.01 0.00 0.00 42.92 43.20 1shm s ASP 33 CO 0.28 0.10 -0.14 -0.04 0.21 0.00 0.00 175.17 175.58 1shm s MET 34 N -2.87 1.56 0.09 8.23 -1.94 0.12 -2.09 119.30 122.40 1shm s MET 34 Ca 0.25 -0.50 0.09 0.00 -1.71 0.00 0.00 55.69 53.82 1shm s MET 34 Cb -0.08 -1.36 -0.03 0.00 2.01 0.00 0.00 34.83 35.36 1shm s MET 34 CO 0.14 0.17 -0.23 0.20 -0.01 0.00 0.00 175.02 175.29 1shm s GLY 35 N 0.19 1.33 -0.13 -0.03 0.00 0.01 -0.25 107.32 108.45 1shm s GLY 35 Ca -0.06 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.34 1shm s GLY 35 CO 0.02 -1.23 0.05 -0.98 0.00 0.00 0.00 173.10 170.96 1shm s TRP 36 N -0.99 3.29 0.18 1.90 0.52 0.12 -0.94 118.94 123.02 1shm s TRP 36 Ca 0.10 0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.47 1shm s TRP 36 Cb -0.10 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 1shm s TRP 36 CO 0.04 0.42 -0.06 -0.06 0.02 0.00 0.00 176.95 177.31 1shm s PHE 37 N -0.48 1.40 -0.07 -1.98 0.40 0.34 -1.35 117.98 116.23 1shm s PHE 37 Ca 0.10 -0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 55.52 1shm s PHE 37 Cb -0.12 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.67 1shm s PHE 37 CO 0.02 0.03 0.21 -0.98 0.70 0.00 0.00 175.22 175.20 1shm s ARG 38 N -3.80 0.29 -0.07 0.44 1.70 -0.38 -1.16 118.95 115.97 1shm s ARG 38 Ca 0.22 0.23 -0.03 0.00 -0.47 0.00 0.00 55.73 55.68 1shm s ARG 38 Cb 0.04 0.14 0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1shm s ARG 38 CO 0.04 -0.04 0.11 -1.14 -1.08 0.00 0.00 175.30 173.19 1shm s GLN 39 N -0.05 -0.02 0.21 3.89 0.74 -0.45 -0.74 119.66 123.24 1shm s GLN 39 Ca -0.02 0.47 -0.12 0.00 0.05 0.00 0.00 55.36 55.74 1shm s GLN 39 Cb -0.02 -0.41 -0.07 0.00 1.10 0.00 0.00 33.01 33.61 1shm s GLN 39 CO 0.01 -0.32 0.57 0.00 -0.55 0.00 0.00 175.29 174.99 1shm s ALA 40 N 2.23 3.55 0.08 1.58 0.00 -1.26 -1.68 121.76 126.26 1shm s ALA 40 Ca 0.04 -0.19 -0.35 0.00 0.00 0.00 0.00 51.96 51.46 1shm s ALA 40 Cb -0.12 -2.50 -0.14 0.00 0.00 0.00 0.00 23.12 20.36 1shm s ALA 40 CO -0.05 0.47 1.56 -2.30 0.00 0.00 0.00 175.76 175.45 1shm n PRO 41 N 0.16 1.82 -0.43 0.00 -0.02 -1.26 -1.72 135.00 133.55 1shm n PRO 41 Ca -0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1shm n PRO 41 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1shm n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1shm n GLY 42 N 3.35 1.10 3.57 -1.23 0.00 -1.26 -5.04 105.19 105.69 1shm n GLY 42 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1shm n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shm s LYS 43 N -0.39 1.97 0.40 1.61 1.02 -0.70 -5.14 119.74 118.51 1shm s LYS 43 Ca 0.00 -1.70 -0.24 0.00 0.02 0.00 0.00 55.97 54.05 1shm s LYS 43 Cb 0.00 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 35.31 1shm s LYS 43 CO 0.00 0.25 1.05 -1.21 -0.92 0.00 0.00 175.35 174.53 1shm s GLU 44 N -3.63 4.17 0.33 1.68 2.02 -1.26 -4.63 118.70 117.38 1shm s GLU 44 Ca 0.32 1.53 -0.29 0.00 0.02 0.00 0.00 54.97 56.56 1shm s GLU 44 Cb -0.03 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 1shm s GLU 44 CO 0.18 -0.14 1.39 0.50 0.02 0.00 0.00 175.26 177.21 1shm s ARG 45 N -2.46 4.26 0.13 1.61 3.52 -1.26 -4.72 118.95 120.03 1shm s ARG 45 Ca 0.57 2.35 0.09 0.00 -0.13 0.00 0.00 55.73 58.62 1shm s ARG 45 Cb -0.23 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1shm s ARG 45 CO 0.28 -0.34 -0.22 -1.83 -0.81 0.00 0.00 175.30 172.38 1shm s GLU 46 N -1.63 1.26 0.56 5.12 -1.05 0.08 -4.96 118.70 118.08 1shm s GLU 46 Ca 0.52 -1.30 -0.19 0.00 -0.15 0.00 0.00 54.97 53.85 1shm s GLU 46 Cb -0.42 -1.53 -0.05 0.00 -0.44 0.00 0.00 34.13 31.69 1shm s GLU 46 CO 0.54 0.34 1.14 -1.12 0.95 0.00 0.00 175.26 177.12 1shm s SER 47 N -2.21 5.55 0.08 0.83 0.01 -1.26 -1.25 113.70 115.44 1shm s SER 47 Ca 0.12 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.59 1shm s SER 47 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1shm s SER 47 CO 0.06 -1.34 0.00 0.52 0.41 0.00 0.00 173.24 172.89 1shm n VAL 48 N -1.46 0.77 -3.70 3.43 0.31 -0.46 -4.72 118.33 112.51 1shm n VAL 48 Ca 0.12 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.61 1shm n VAL 48 Cb 0.51 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 1shm n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1shm s ALA 49 N -2.00 -1.10 0.13 3.52 0.00 -1.12 -1.17 121.76 120.01 1shm s ALA 49 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.71 1shm s ALA 49 Cb 0.00 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1shm s ALA 49 CO 0.00 -0.84 0.37 0.00 0.00 0.00 0.00 175.76 175.29 1shm s ALA 50 N -3.86 -0.72 -0.11 0.00 0.00 -0.31 -0.70 121.76 116.07 1shm s ALA 50 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1shm s ALA 50 Cb -0.02 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1shm s ALA 50 CO -0.03 -0.64 0.37 -1.50 0.00 0.00 0.00 175.76 173.96 1shm s ILE 51 N -3.84 0.01 -0.08 0.00 2.07 0.65 -1.11 121.20 118.91 1shm s ILE 51 Ca 0.05 -0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 58.98 1shm s ILE 51 Cb 0.02 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1shm s ILE 51 CO -0.10 -0.06 0.57 0.21 -1.91 0.00 0.00 174.94 173.64 1shm s ASN 52 N -0.21 6.83 0.22 4.50 2.47 -0.88 -0.70 114.94 127.17 1shm s ASN 52 Ca -0.04 1.00 -0.09 0.00 0.42 0.00 0.00 52.86 54.16 1shm s ASN 52 Cb -0.03 -2.34 0.21 0.00 -1.45 0.00 0.00 41.25 37.64 1shm s ASN 52 CO 0.02 -0.01 1.89 -0.50 -3.72 0.00 0.00 177.10 174.78 1shm h TRP 52 N 6.48 1.03 0.20 0.43 4.06 -1.56 -0.20 115.95 126.39 1shm h TRP 52 Ca -0.42 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.55 1shm h TRP 52 Cb 1.19 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1shm h TRP 52 CO 0.64 0.63 -0.10 0.78 -3.56 0.00 0.00 178.44 176.83 1shm h GLY 53 N 1.10 -0.28 0.80 1.49 0.00 -1.68 -3.35 103.07 101.14 1shm h GLY 53 Ca 0.31 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1shm h GLY 53 CO -0.08 -0.10 -1.18 -1.14 0.00 0.00 0.00 176.54 174.04 1shm n SER 54 N -5.01 0.68 -1.23 0.19 3.41 -1.24 -4.95 113.62 105.46 1shm n SER 54 Ca -0.09 0.23 -0.16 0.00 -0.26 0.00 0.00 58.87 58.60 1shm n SER 54 Cb 0.26 0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 1shm n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shm n ALA 55 N -2.16 -0.25 -1.92 7.33 0.00 -0.09 -4.98 120.51 118.45 1shm n ALA 55 Ca -0.01 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1shm n ALA 55 Cb 0.54 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1shm n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1shm s GLY 56 N -2.77 2.06 0.19 0.00 0.00 -1.25 -4.73 107.32 100.82 1shm s GLY 56 Ca 0.00 1.33 0.06 0.00 0.00 0.00 0.00 44.72 46.11 1shm s GLY 56 CO 0.00 2.39 0.10 -0.51 0.00 0.00 0.00 173.10 175.08 1shm s THR 57 N 0.43 4.17 0.00 0.90 -4.23 -1.26 -2.07 115.64 113.58 1shm s THR 57 Ca 0.63 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1shm s THR 57 Cb -0.42 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1shm s THR 57 CO 0.39 -0.17 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.93 1shm s TYR 58 N -1.86 0.45 0.13 3.99 1.51 -0.27 -4.99 117.35 116.32 1shm s TYR 58 Ca 0.30 -0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 1shm s TYR 58 Cb -0.09 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1shm s TYR 58 CO 0.22 -0.02 -0.12 0.71 -1.11 0.00 0.00 175.55 175.23 1shm s TYR 59 N -0.34 1.28 0.30 2.71 2.02 -1.26 -1.16 117.35 120.90 1shm s TYR 59 Ca -0.01 -0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 55.90 1shm s TYR 59 Cb -0.03 -0.66 -0.09 0.00 -0.40 0.00 0.00 41.96 40.78 1shm s TYR 59 CO -0.00 0.10 0.71 0.00 -1.57 0.00 0.00 175.55 174.79 1shm s ALA 60 N -2.66 3.35 0.51 3.71 0.00 -0.32 -4.95 121.76 121.41 1shm s ALA 60 Ca 0.11 0.02 0.18 0.00 0.00 0.00 0.00 51.96 52.26 1shm s ALA 60 Cb -0.02 -2.74 1.27 0.00 0.00 0.00 0.00 23.12 21.64 1shm s ALA 60 CO 0.02 0.35 2.12 1.03 0.00 0.00 0.00 175.76 179.28 1shm h SER 61 N 2.38 0.00 0.49 0.00 0.87 -1.94 -2.80 113.55 112.54 1shm h SER 61 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1shm h SER 61 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1shm h SER 61 CO 0.66 0.05 0.00 0.77 -0.53 0.00 0.00 176.83 177.78 1shm h SER 62 N 0.00 0.00 0.00 6.23 4.64 -1.94 -3.06 113.55 119.42 1shm h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1shm h SER 62 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1shm h SER 62 CO 0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 1shm n VAL 63 N -2.58 0.84 -2.17 0.95 0.24 -1.06 -5.00 118.33 109.55 1shm n VAL 63 Ca -0.00 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 61.00 1shm n VAL 63 Cb 0.17 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 1shm n VAL 63 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1shm s ARG 64 N -0.84 4.30 0.00 7.34 3.52 -1.16 -1.64 118.95 130.47 1shm s ARG 64 Ca 0.00 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1shm s ARG 64 Cb 0.00 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1shm s ARG 64 CO 0.00 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.39 1shm n GLY 65 N 3.59 2.18 0.06 8.12 0.00 -1.26 -4.81 105.19 113.06 1shm n GLY 65 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1shm n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shm n ARG 66 N -2.00 1.08 -4.33 1.61 1.74 -0.78 -5.02 116.66 108.95 1shm n ARG 66 Ca 0.00 0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 1shm n ARG 66 Cb 0.00 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 1shm n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1shm s PHE 67 N -2.25 2.86 -0.08 -1.55 0.40 -0.65 -1.71 117.98 115.00 1shm s PHE 67 Ca -0.13 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1shm s PHE 67 Cb 0.04 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1shm s PHE 67 CO 0.34 0.41 -0.13 0.99 0.70 0.00 0.00 175.22 177.53 1shm s THR 68 N -1.12 1.24 -0.06 0.64 2.01 -0.17 -4.85 115.64 113.33 1shm s THR 68 Ca 0.20 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 1shm s THR 68 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1shm s THR 68 CO 0.11 0.38 0.13 -0.51 -0.69 0.00 0.00 174.62 174.04 1shm s ILE 69 N 0.75 5.21 0.23 1.82 2.07 -1.26 -0.64 121.20 129.39 1shm s ILE 69 Ca -0.13 -0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 58.91 1shm s ILE 69 Cb -0.16 -3.34 -0.00 0.00 0.13 0.00 0.00 42.46 39.09 1shm s ILE 69 CO 0.03 0.47 0.46 -0.94 -1.91 0.00 0.00 174.94 173.05 1shm s SER 70 N -1.44 -0.09 -0.00 4.50 1.04 -0.81 -5.00 113.70 111.90 1shm s SER 70 Ca 0.20 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 1shm s SER 70 Cb -0.12 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1shm s SER 70 CO 0.10 -1.11 0.23 0.00 0.98 0.00 0.00 173.24 173.44 1shm s ARG 71 N -4.00 0.60 -0.21 4.02 1.04 -1.26 -0.44 118.95 118.69 1shm s ARG 71 Ca 0.21 -0.33 0.00 0.00 -1.04 0.00 0.00 55.73 54.57 1shm s ARG 71 Cb -0.00 0.26 0.05 0.00 -2.04 0.00 0.00 34.95 33.22 1shm s ARG 71 CO 0.07 -0.16 -0.07 0.34 -0.04 0.00 0.00 175.30 175.45 1shm s ASP 72 N -1.44 3.54 0.17 -2.89 -1.08 0.06 -5.01 116.67 110.03 1shm s ASP 72 Ca -0.13 -1.01 -0.12 0.00 -0.52 0.00 0.00 52.55 50.77 1shm s ASP 72 Cb -0.06 -1.14 0.08 0.00 -1.46 0.00 0.00 42.92 40.34 1shm s ASP 72 CO 0.02 -0.20 1.74 0.78 0.52 0.00 0.00 175.17 178.03 1shm h ASN 73 N 7.99 0.80 -0.27 -0.34 -0.26 -1.92 -0.08 115.58 121.51 1shm h ASN 73 Ca -0.22 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.28 1shm h ASN 73 Cb 1.09 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.12 1shm h ASN 73 CO 0.43 0.73 -0.13 0.00 -1.06 0.00 0.00 177.43 177.40 1shm h ALA 74 N 1.10 1.05 0.00 -0.83 0.00 -1.96 -2.73 119.26 115.89 1shm h ALA 74 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1shm h ALA 74 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1shm h ALA 74 CO -0.02 0.58 -0.25 1.63 0.00 0.00 0.00 179.25 181.19 1shm n LYS 75 N -4.16 0.15 -3.89 0.00 5.02 -1.15 -4.95 118.16 109.18 1shm n LYS 75 Ca 0.01 0.09 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 1shm n LYS 75 Cb 0.36 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1shm n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1shm n LYS 76 N -1.89 -4.29 -4.20 1.97 4.76 -0.08 -4.81 118.16 109.62 1shm n LYS 76 Ca 0.05 0.51 -0.16 0.00 -2.87 0.00 0.00 58.31 55.85 1shm n LYS 76 Cb 0.39 -5.00 -0.14 0.00 -1.84 0.00 0.00 35.03 28.44 1shm n LYS 76 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1shm s THR 77 N -3.66 0.56 0.01 -0.18 2.01 -1.00 -1.00 115.64 112.37 1shm s THR 77 Ca 0.21 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1shm s THR 77 Cb -0.11 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1shm s THR 77 CO 0.85 0.03 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.94 1shm s VAL 78 N -0.44 2.72 0.08 3.82 1.01 -0.71 -0.76 120.40 126.12 1shm s VAL 78 Ca -0.00 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1shm s VAL 78 Cb -0.04 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1shm s VAL 78 CO -0.00 0.45 -0.20 -0.31 0.00 0.00 0.00 175.10 175.04 1shm s TYR 79 N -0.82 1.72 -0.32 5.22 1.51 0.42 -0.71 117.35 124.37 1shm s TYR 79 Ca 0.13 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1shm s TYR 79 Cb -0.10 -0.97 0.10 0.00 -0.11 0.00 0.00 41.96 40.87 1shm s TYR 79 CO 0.03 0.15 0.05 -1.17 -1.11 0.00 0.00 175.55 173.50 1shm s LEU 80 N -1.65 3.93 -0.16 -1.29 0.20 -0.27 -1.93 118.68 117.51 1shm s LEU 80 Ca 0.06 -1.93 -0.29 0.00 0.69 0.00 0.00 54.13 52.66 1shm s LEU 80 Cb -0.10 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.25 1shm s LEU 80 CO 0.03 -0.37 1.18 -1.58 -0.29 0.00 0.00 176.35 175.32 1shm s GLN 81 N 1.12 4.27 -0.35 1.98 2.00 0.18 -1.24 119.66 127.62 1shm s GLN 81 Ca 0.09 1.57 -0.01 0.00 -2.00 0.00 0.00 55.36 55.01 1shm s GLN 81 Cb -0.19 -3.69 0.09 0.00 0.80 0.00 0.00 33.01 30.02 1shm s GLN 81 CO -0.12 -0.63 0.09 -1.64 -0.50 0.00 0.00 175.29 172.49 1shm s MET 82 N 3.16 2.02 0.27 1.67 -1.94 0.38 -1.00 119.30 123.86 1shm s MET 82 Ca 0.52 -1.64 0.06 0.00 -1.71 0.00 0.00 55.69 52.91 1shm s MET 82 Cb -0.20 -3.34 -0.03 0.00 2.01 0.00 0.00 34.83 33.27 1shm s MET 82 CO 0.14 -0.88 0.36 -0.80 -0.01 0.00 0.00 175.02 173.82 1shm s ASN 82 N 1.41 6.05 -1.31 3.03 0.01 -0.70 -1.59 114.94 121.85 1shm s ASN 82 Ca 0.04 -0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.09 1shm s ASN 82 Cb -0.21 -1.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 1shm s ASN 82 CO -0.04 -0.17 0.63 -1.20 -1.51 0.00 0.00 177.10 174.81 1shm n SER 82 N -1.43 -1.57 -4.77 -1.22 7.64 -1.13 -4.74 113.62 106.41 1shm n SER 82 Ca -0.06 -0.90 -0.38 0.00 1.01 0.00 0.00 58.87 58.54 1shm n SER 82 Cb 0.58 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 1shm n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1shm s LEU 82 N -6.70 4.05 0.16 -3.43 1.43 -0.69 -4.71 118.68 108.79 1shm s LEU 82 Ca 0.07 2.49 0.08 0.00 -1.03 0.00 0.00 54.13 55.74 1shm s LEU 82 Cb -0.02 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 1shm s LEU 82 CO 0.84 -1.00 -0.17 -0.54 0.23 0.00 0.00 176.35 175.70 1shm s LYS 83 N -2.58 1.23 0.38 1.70 1.02 -1.26 -1.10 119.74 119.13 1shm s LYS 83 Ca 0.63 -1.38 0.18 0.00 0.02 0.00 0.00 55.97 55.42 1shm s LYS 83 Cb -0.34 -1.24 1.12 0.00 -0.52 0.00 0.00 37.83 36.85 1shm s LYS 83 CO 0.41 0.25 1.71 -1.35 -0.92 0.00 0.00 175.35 175.45 1shm h PRO 84 N 3.28 0.34 0.00 -1.68 0.11 -1.89 0.85 132.00 133.01 1shm h PRO 84 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1shm h PRO 84 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1shm h PRO 84 CO 0.51 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 1shm n GLU 85 N -4.79 0.13 0.00 1.05 0.00 -1.26 -1.78 120.64 113.99 1shm n GLU 85 Ca 0.29 0.33 0.08 0.00 0.00 0.00 0.00 57.16 57.86 1shm n GLU 85 Cb 0.99 -1.74 0.39 0.00 0.00 0.00 0.00 31.44 31.08 1shm n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1shm n ASP 86 N -1.98 0.00 -4.71 -1.84 8.00 0.29 -4.85 116.55 111.46 1shm n ASP 86 Ca 0.03 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 1shm n ASP 86 Cb 0.24 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 1shm n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1shm s THR 87 N -2.72 2.58 0.00 -3.53 2.01 -0.73 -4.89 115.64 108.36 1shm s THR 87 Ca 0.13 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1shm s THR 87 Cb 0.11 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1shm s THR 87 CO 0.26 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.22 1shm n ALA 88 N 4.17 0.00 -2.71 7.40 0.00 -0.46 -4.58 120.51 124.32 1shm n ALA 88 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1shm n ALA 88 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1shm n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1shm s VAL 89 N -2.00 4.94 -0.20 0.00 1.01 -0.67 -1.21 120.40 122.27 1shm s VAL 89 Ca 0.00 1.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 1shm s VAL 89 Cb 0.00 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1shm s VAL 89 CO 0.00 0.19 0.04 -0.31 0.00 0.00 0.00 175.10 175.02 1shm s TYR 90 N 1.02 3.14 0.02 5.22 1.51 0.07 -1.34 117.35 126.99 1shm s TYR 90 Ca 0.45 -0.18 0.06 0.00 -1.01 0.00 0.00 57.07 56.40 1shm s TYR 90 Cb -0.19 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 1shm s TYR 90 CO 0.23 -0.06 -0.19 0.99 -1.11 0.00 0.00 175.55 175.40 1shm s THR 91 N 0.80 1.55 0.10 -0.71 2.01 -0.31 -0.62 115.64 118.46 1shm s THR 91 Ca 0.02 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1shm s THR 91 Cb -0.14 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1shm s THR 91 CO 0.02 0.29 0.16 0.00 -0.69 0.00 0.00 174.62 174.40 1shm s GLY 93 N -2.65 0.18 0.14 0.00 0.00 -0.12 -0.66 107.32 104.21 1shm s GLY 93 Ca 0.32 -0.50 0.10 0.00 0.00 0.00 0.00 44.72 44.63 1shm s GLY 93 CO 0.25 -0.61 -0.22 0.00 0.00 0.00 0.00 173.10 172.51 1shm s ALA 94 N -2.00 2.12 0.00 3.20 0.00 -0.28 -0.81 121.76 124.00 1shm s ALA 94 Ca -0.10 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1shm s ALA 94 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1shm s ALA 94 CO -0.02 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1shm n GLY 95 N 0.69 -0.67 2.83 0.00 0.00 -0.89 -0.17 105.19 106.98 1shm n GLY 95 Ca -0.16 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1shm n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shm s ARG 96 N -1.08 0.92 0.72 1.61 0.52 -1.23 -0.31 118.95 120.11 1shm s ARG 96 Ca 0.00 -0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 1shm s ARG 96 Cb 0.00 -1.14 0.02 0.00 0.52 0.00 0.00 34.95 34.35 1shm s ARG 96 CO 0.00 -0.26 1.10 0.42 0.02 0.00 0.00 175.30 176.58 1shm s ILE 97 N 1.74 3.41 0.62 1.52 1.01 -1.26 -4.82 121.20 123.42 1shm s ILE 97 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1shm s ILE 97 Cb -0.13 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1shm s ILE 97 CO -0.05 -0.60 0.00 0.54 0.00 0.00 0.00 174.94 174.83 1shm n ARG 98 N -3.09 -3.62 -0.11 2.79 1.74 -1.26 -5.04 116.66 108.07 1shm n ARG 98 Ca 0.07 2.91 0.04 0.00 -0.77 0.00 0.00 57.85 60.10 1shm n ARG 98 Cb 0.57 -3.97 0.10 0.00 -1.02 0.00 0.00 32.46 28.14 1shm n ARG 98 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1shm n GLU 98 N -3.79 2.56 -0.15 5.56 0.28 -1.26 -4.75 120.64 119.10 1shm n GLU 98 Ca -0.06 -1.79 0.14 0.00 -0.16 0.00 0.00 57.16 55.29 1shm n GLU 98 Cb 0.62 -1.19 0.49 0.00 1.43 0.00 0.00 31.44 32.79 1shm n GLU 98 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1shm h SER 98 N 1.50 0.40 1.04 -1.84 0.87 -2.04 -2.08 113.55 111.40 1shm h SER 98 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1shm h SER 98 Cb 0.63 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1shm h SER 98 CO 0.00 0.22 0.00 4.11 -0.53 0.00 0.00 176.83 180.63 1shm h TRP 99 N 0.44 0.00 -3.14 2.24 5.08 -1.87 -3.44 115.95 115.25 1shm h TRP 99 Ca 0.35 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.78 1shm h TRP 99 Cb 0.74 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.91 1shm h TRP 99 CO -0.00 0.00 0.61 0.08 -1.28 0.00 0.00 178.44 177.85 1shm s VAL 100 N -3.44 3.82 -0.20 0.12 1.01 -0.79 -3.56 120.40 117.37 1shm s VAL 100 Ca 0.04 1.31 0.11 0.00 0.00 0.00 0.00 61.98 63.44 1shm s VAL 100 Cb 0.09 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.43 1shm s VAL 100 CO 0.50 0.10 -0.03 0.41 0.00 0.00 0.00 175.10 176.08 1shm n THR 101 N 3.91 1.29 -4.60 3.92 -1.04 0.76 -4.96 114.28 113.55 1shm n THR 101 Ca 0.10 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.05 61.20 1shm n THR 101 Cb 0.45 -0.80 -0.15 0.00 -1.82 0.00 0.00 70.33 68.01 1shm n THR 101 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1shm s TRP 102 N -2.45 1.22 0.05 -1.42 0.51 -0.90 -4.99 118.94 110.96 1shm s TRP 102 Ca -0.17 -0.26 0.07 0.00 -2.12 0.00 0.00 56.10 53.62 1shm s TRP 102 Cb 0.06 -0.81 -0.03 0.00 -0.81 0.00 0.00 33.47 31.88 1shm s TRP 102 CO 0.68 -0.05 -0.19 -1.58 -0.51 0.00 0.00 176.95 175.29 1shm s TRP 103 N -0.17 2.53 0.00 -1.98 0.52 -1.26 -1.12 118.94 117.45 1shm s TRP 103 Ca 0.02 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.87 1shm s TRP 103 Cb -0.07 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 1shm s TRP 103 CO 0.00 0.26 0.00 0.41 0.02 0.00 0.00 176.95 177.64 1shm n GLY 104 N 1.49 -1.21 0.04 0.98 0.00 0.16 -4.73 105.19 101.93 1shm n GLY 104 Ca -0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 1shm n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1shm n GLN 105 N -0.02 1.15 0.00 1.61 1.13 -1.26 -4.91 117.38 115.09 1shm n GLN 105 Ca 0.00 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1shm n GLN 105 Cb 0.00 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1shm n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1shm n GLY 106 N 1.91 2.68 2.89 1.08 0.00 -1.26 -5.02 105.19 107.46 1shm n GLY 106 Ca -0.14 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 1shm n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1shm s THR 107 N -1.93 0.43 0.00 2.61 -1.32 0.21 -4.82 115.64 110.83 1shm s THR 107 Ca 0.00 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 1shm s THR 107 Cb 0.00 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1shm s THR 107 CO 0.00 0.19 1.07 -1.58 -2.21 0.00 0.00 174.62 172.09 1shm s GLN 108 N 0.78 4.49 -0.19 7.08 2.00 -1.26 -0.75 119.66 131.81 1shm s GLN 108 Ca -0.10 1.55 0.00 0.00 -2.00 0.00 0.00 55.36 54.81 1shm s GLN 108 Cb -0.13 -3.44 0.01 0.00 0.80 0.00 0.00 33.01 30.25 1shm s GLN 108 CO -0.00 -0.18 -0.17 0.08 -0.50 0.00 0.00 175.29 174.53 1shm s VAL 109 N 1.23 2.36 -0.17 1.34 1.01 -0.35 -1.44 120.40 124.37 1shm s VAL 109 Ca 0.54 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1shm s VAL 109 Cb -0.24 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1shm s VAL 109 CO 0.27 0.51 -0.14 -0.89 0.00 0.00 0.00 175.10 174.85 1shm s THR 110 N 1.30 1.71 -0.31 3.92 2.01 -0.45 -1.36 115.64 122.45 1shm s THR 110 Ca 0.04 -0.85 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1shm s THR 110 Cb -0.13 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1shm s THR 110 CO -0.10 0.36 0.19 -0.69 -0.69 0.00 0.00 174.62 173.69 1shm s VAL 111 N 1.41 5.02 0.45 3.82 1.01 -1.26 -0.80 120.40 130.05 1shm s VAL 111 Ca 0.02 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1shm s VAL 111 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1shm s VAL 111 CO -0.10 0.09 0.63 -0.94 0.00 0.00 0.00 175.10 174.78 1shm s SER 112 N 1.69 5.62 0.00 3.32 1.04 0.01 -4.48 113.70 120.89 1shm s SER 112 Ca 0.06 -0.16 0.25 0.00 0.48 0.00 0.00 55.95 56.58 1shm s SER 112 Cb -0.17 -0.94 0.31 0.00 0.10 0.00 0.00 66.02 65.32 1shm s SER 112 CO 0.09 -0.81 1.33 -1.20 0.98 0.00 0.00 173.24 173.62