#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3p s VAL 2 N 0.00 -0.62 -0.11 5.09 1.01 -1.25 -2.90 120.40 121.61 3h3p s VAL 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3h3p s VAL 2 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.44 3h3p s VAL 2 CO 0.00 0.00 0.17 -1.10 0.00 0.00 0.00 175.10 174.17 3h3p s GLN 3 N 2.55 0.07 -0.11 2.72 -0.21 -1.03 -4.99 119.66 118.64 3h3p s GLN 3 Ca -0.03 0.44 -0.15 0.00 0.02 0.00 0.00 55.36 55.64 3h3p s GLN 3 Cb -0.07 -0.58 -0.05 0.00 1.00 0.00 0.00 33.01 33.31 3h3p s GLN 3 CO -0.18 -0.40 0.37 -0.51 -2.12 0.00 0.00 175.29 172.45 3h3p s LEU 4 N 2.29 4.30 -0.07 2.90 1.43 -1.26 -2.31 118.68 125.96 3h3p s LEU 4 Ca 0.04 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 3h3p s LEU 4 Cb -0.13 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.59 3h3p s LEU 4 CO -0.07 0.12 -0.16 0.68 0.23 0.00 0.00 176.35 177.15 3h3p s VAL 5 N 0.18 1.40 0.16 -1.59 -7.23 -0.36 -4.33 120.40 108.63 3h3p s VAL 5 Ca 0.21 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.80 3h3p s VAL 5 Cb -0.14 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 3h3p s VAL 5 CO 0.08 0.41 0.07 -1.10 -0.31 0.00 0.00 175.10 174.25 3h3p s GLN 6 N 0.54 2.69 0.78 4.82 -0.21 -1.26 -1.45 119.66 125.57 3h3p s GLN 6 Ca -0.15 -0.94 -0.12 0.00 0.02 0.00 0.00 55.36 54.17 3h3p s GLN 6 Cb -0.16 -2.54 0.07 0.00 1.00 0.00 0.00 33.01 31.38 3h3p s GLN 6 CO 0.05 0.48 1.12 -1.54 -2.12 0.00 0.00 175.29 173.29 3h3p s SER 7 N -2.95 4.18 0.90 5.90 1.04 -0.86 -4.96 113.70 116.95 3h3p s SER 7 Ca 0.29 2.01 -0.12 0.00 0.48 0.00 0.00 55.95 58.61 3h3p s SER 7 Cb -0.10 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.61 3h3p s SER 7 CO 0.21 -2.26 1.14 -0.83 0.98 0.00 0.00 173.24 172.48 3h3p s GLY 8 N -2.89 1.58 0.32 7.32 0.00 -1.26 -4.56 107.32 107.82 3h3p s GLY 8 Ca 0.65 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 44.58 3h3p s GLY 8 CO 0.52 0.03 0.95 0.00 0.00 0.00 0.00 173.10 174.60 3h3p n ALA 9 N -3.73 -0.38 -2.60 3.20 0.00 -1.26 -4.79 120.51 110.95 3h3p n ALA 9 Ca 0.07 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.64 3h3p n ALA 9 Cb 0.59 -1.99 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 3h3p n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h3p s GLU 10 N -1.61 1.06 -0.09 0.00 2.56 -0.84 -5.00 118.70 114.78 3h3p s GLU 10 Ca 0.60 -0.92 0.04 0.00 0.00 0.00 0.00 54.97 54.68 3h3p s GLU 10 Cb -0.68 -1.14 0.00 0.00 2.00 0.00 0.00 34.13 34.31 3h3p s GLU 10 CO 0.59 0.28 -0.21 0.08 -0.56 0.00 0.00 175.26 175.44 3h3p s VAL 11 N -0.98 1.81 0.04 3.70 1.01 -1.26 -2.14 120.40 122.58 3h3p s VAL 11 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3h3p s VAL 11 Cb -0.09 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3h3p s VAL 11 CO 0.02 0.51 -0.05 -0.54 0.00 0.00 0.00 175.10 175.04 3h3p s LYS 12 N 0.43 0.45 0.08 2.72 -0.14 0.17 -4.99 119.74 118.46 3h3p s LYS 12 Ca -0.18 -0.78 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 3h3p s LYS 12 Cb -0.17 -0.04 -0.04 0.00 -1.68 0.00 0.00 37.83 35.90 3h3p s LYS 12 CO 0.07 -0.02 0.23 -0.98 -0.76 0.00 0.00 175.35 173.89 3h3p s ARG 13 N -1.92 3.44 0.25 1.68 3.03 -1.26 -0.86 118.95 123.31 3h3p s ARG 13 Ca -0.10 -0.48 -0.30 0.00 2.03 0.00 0.00 55.73 56.88 3h3p s ARG 13 Cb -0.07 -3.02 -0.14 0.00 -1.03 0.00 0.00 34.95 30.69 3h3p s ARG 13 CO -0.02 0.59 1.19 -2.30 -1.13 0.00 0.00 175.30 173.63 3h3p n PRO 14 N 0.07 1.60 -0.40 3.89 -0.02 -1.26 -1.96 135.00 136.92 3h3p n PRO 14 Ca -0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3h3p n PRO 14 Cb 0.52 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3h3p n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3p n GLY 15 N 1.61 0.87 4.01 -1.23 0.00 -0.00 -4.93 105.19 105.51 3h3p n GLY 15 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3h3p n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h3p s SER 16 N -2.99 4.87 0.14 1.61 1.04 -0.83 -4.50 113.70 113.04 3h3p s SER 16 Ca 0.00 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 55.95 3h3p s SER 16 Cb 0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 3h3p s SER 16 CO 0.00 -1.47 -0.13 -0.44 0.98 0.00 0.00 173.24 172.18 3h3p s SER 17 N -4.64 2.03 -0.09 7.02 0.01 -1.26 -2.45 113.70 114.33 3h3p s SER 17 Ca 0.63 -0.89 -0.18 0.00 1.31 0.00 0.00 55.95 56.81 3h3p s SER 17 Cb -0.06 -0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.14 3h3p s SER 17 CO 0.40 -0.19 0.44 0.54 0.41 0.00 0.00 173.24 174.85 3h3p s VAL 18 N -2.55 0.02 -0.10 3.43 0.11 -0.96 -5.02 120.40 115.34 3h3p s VAL 18 Ca 0.13 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 3h3p s VAL 18 Cb -0.03 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 3h3p s VAL 18 CO 0.03 -0.11 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.57 3h3p s THR 19 N -0.67 2.15 0.02 5.04 2.01 -1.26 -1.89 115.64 121.04 3h3p s THR 19 Ca -0.08 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3h3p s THR 19 Cb -0.03 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3h3p s THR 19 CO 0.04 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 3h3p s VAL 20 N 0.32 2.91 -0.07 3.82 1.01 -0.22 -4.92 120.40 123.25 3h3p s VAL 20 Ca -0.17 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.76 3h3p s VAL 20 Cb -0.18 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3h3p s VAL 20 CO 0.08 0.39 -0.09 -0.44 0.00 0.00 0.00 175.10 175.05 3h3p s SER 21 N -1.29 4.48 -0.20 3.32 0.01 -1.26 -1.08 113.70 117.68 3h3p s SER 21 Ca 0.14 -0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.33 3h3p s SER 21 Cb -0.11 -1.10 0.05 0.00 0.21 0.00 0.00 66.02 65.07 3h3p s SER 21 CO 0.05 0.35 -0.06 0.00 0.41 0.00 0.00 173.24 173.99 3h3p s LYS 23 N 1.52 3.54 -0.09 0.00 2.20 -0.53 0.12 119.74 126.52 3h3p s LYS 23 Ca -0.02 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.27 3h3p s LYS 23 Cb -0.17 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3h3p s LYS 23 CO -0.07 0.49 -0.14 0.00 -0.36 0.00 0.00 175.35 175.27 3h3p s ALA 24 N -0.26 2.62 0.06 3.13 0.00 0.22 -1.22 121.76 126.31 3h3p s ALA 24 Ca 0.08 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.17 3h3p s ALA 24 Cb -0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3h3p s ALA 24 CO 0.02 0.41 -0.20 0.45 0.00 0.00 0.00 175.76 176.44 3h3p s SER 25 N -0.23 2.41 0.30 0.00 0.15 -0.98 -4.83 113.70 110.53 3h3p s SER 25 Ca 0.01 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3h3p s SER 25 Cb -0.13 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 3h3p s SER 25 CO 0.03 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.20 3h3p n GLY 26 N 1.66 -3.35 0.35 9.45 0.00 -1.26 -2.48 105.19 109.56 3h3p n GLY 26 Ca -0.18 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.77 3h3p n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3p n GLY 27 N -2.31 -2.19 3.62 -0.02 0.00 -1.14 -4.64 105.19 98.51 3h3p n GLY 27 Ca -0.01 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3h3p n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h3p s SER 28 N -3.10 6.61 0.12 1.61 0.15 -1.26 -4.94 113.70 112.88 3h3p s SER 28 Ca 0.00 0.71 -0.12 0.00 0.70 0.00 0.00 55.95 57.24 3h3p s SER 28 Cb 0.00 -2.36 -0.10 0.00 -1.71 0.00 0.00 66.02 61.85 3h3p s SER 28 CO 0.00 -0.43 1.39 0.15 1.20 0.00 0.00 173.24 175.54 3h3p h PHE 29 N 7.93 1.07 0.00 3.44 3.57 -1.95 -3.37 116.94 127.62 3h3p h PHE 29 Ca -0.26 -0.39 -0.13 0.00 3.53 0.00 0.00 57.97 60.72 3h3p h PHE 29 Cb 1.11 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3h3p h PHE 29 CO 0.76 1.21 -0.61 0.77 -2.23 0.00 0.00 178.31 178.21 3h3p h SER 30 N 0.61 0.00 -0.11 0.41 0.02 -1.96 -3.33 113.55 109.19 3h3p h SER 30 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3h3p h SER 30 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3h3p h SER 30 CO 0.12 0.61 -0.05 0.35 -1.14 0.00 0.00 176.83 176.72 3h3p n THR 31 N -3.57 2.10 -4.45 -2.27 -2.24 -1.26 -0.79 114.28 101.80 3h3p n THR 31 Ca -0.00 -2.28 -0.20 0.00 -2.27 0.00 0.00 64.05 59.29 3h3p n THR 31 Cb 0.66 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 3h3p n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3h3p s TYR 32 N -2.93 1.17 0.06 4.78 1.51 -1.25 -5.05 117.35 115.64 3h3p s TYR 32 Ca 0.37 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.84 3h3p s TYR 32 Cb 0.32 -0.72 -0.06 0.00 -0.11 0.00 0.00 41.96 41.39 3h3p s TYR 32 CO 0.04 0.01 1.27 0.00 -1.11 0.00 0.00 175.55 175.76 3h3p s ALA 33 N -0.59 3.47 -0.08 3.71 0.00 -1.26 -4.62 121.76 122.39 3h3p s ALA 33 Ca 0.03 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.93 3h3p s ALA 33 Cb -0.06 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3h3p s ALA 33 CO 0.00 -0.57 -0.18 -1.17 0.00 0.00 0.00 175.76 173.85 3h3p s LEU 34 N 1.33 2.48 0.13 0.00 0.20 -0.86 -1.84 118.68 120.10 3h3p s LEU 34 Ca 0.61 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 55.10 3h3p s LEU 34 Cb -0.31 -1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 3h3p s LEU 34 CO 0.29 0.24 -0.10 -0.44 -0.29 0.00 0.00 176.35 176.04 3h3p s SER 35 N -0.12 1.65 -0.14 3.68 0.01 0.13 -0.03 113.70 118.88 3h3p s SER 35 Ca -0.03 -0.93 0.01 0.00 1.31 0.00 0.00 55.95 56.30 3h3p s SER 35 Cb -0.14 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 3h3p s SER 35 CO 0.04 -0.31 -0.16 0.26 0.41 0.00 0.00 173.24 173.48 3h3p s TRP 36 N -2.98 2.76 -0.05 2.43 0.52 0.32 -0.25 118.94 121.69 3h3p s TRP 36 Ca 0.12 -0.98 0.03 0.00 0.02 0.00 0.00 56.10 55.29 3h3p s TRP 36 Cb 0.01 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 3h3p s TRP 36 CO 0.00 -0.43 -0.15 0.08 0.02 0.00 0.00 176.95 176.47 3h3p s VAL 37 N 0.69 1.29 0.18 4.03 1.01 0.06 -0.52 120.40 127.13 3h3p s VAL 37 Ca -0.08 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3h3p s VAL 37 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3h3p s VAL 37 CO 0.02 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.39 3h3p s ARG 38 N 0.29 2.01 -0.11 2.72 1.70 0.08 -0.02 118.95 125.62 3h3p s ARG 38 Ca -0.08 -1.28 -0.04 0.00 -0.47 0.00 0.00 55.73 53.86 3h3p s ARG 38 Cb -0.13 -2.14 0.06 0.00 -0.57 0.00 0.00 34.95 32.17 3h3p s ARG 38 CO 0.03 0.44 0.22 -1.14 -1.08 0.00 0.00 175.30 173.77 3h3p s GLN 39 N -2.77 0.10 0.30 3.89 0.74 0.11 -0.49 119.66 121.54 3h3p s GLN 39 Ca 0.24 0.66 -0.13 0.00 0.05 0.00 0.00 55.36 56.19 3h3p s GLN 39 Cb -0.09 -0.16 -0.08 0.00 1.10 0.00 0.00 33.01 33.78 3h3p s GLN 39 CO 0.15 -0.31 0.67 0.00 -0.55 0.00 0.00 175.29 175.25 3h3p s ALA 40 N 2.37 3.41 -0.27 1.58 0.00 -1.26 -0.11 121.76 127.49 3h3p s ALA 40 Ca 0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 51.96 51.46 3h3p s ALA 40 Cb -0.12 -2.64 -0.18 0.00 0.00 0.00 0.00 23.12 20.18 3h3p s ALA 40 CO -0.08 0.36 1.50 -2.30 0.00 0.00 0.00 175.76 175.25 3h3p n PRO 41 N -0.38 0.47 -2.27 0.00 -0.02 -1.26 -0.60 135.00 130.93 3h3p n PRO 41 Ca 0.02 0.17 -0.20 0.00 -2.02 0.00 0.00 63.50 61.47 3h3p n PRO 41 Cb 0.53 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 3h3p n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3p n GLY 42 N 3.38 -0.13 3.48 -1.23 0.00 -1.26 -4.98 105.19 104.45 3h3p n GLY 42 Ca 0.26 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3h3p n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3p s ARG 43 N -4.83 1.88 0.71 1.61 0.52 0.23 -5.17 118.95 113.90 3h3p s ARG 43 Ca 0.00 -2.14 -0.03 0.00 -0.52 0.00 0.00 55.73 53.04 3h3p s ARG 43 Cb 0.00 -0.49 0.10 0.00 0.52 0.00 0.00 34.95 35.08 3h3p s ARG 43 CO 0.00 -0.49 0.99 0.20 0.02 0.00 0.00 175.30 176.03 3h3p s GLY 44 N -3.56 1.76 0.39 -3.53 0.00 -1.26 -4.53 107.32 96.58 3h3p s GLY 44 Ca 0.27 -1.43 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 3h3p s GLY 44 CO 0.16 -0.93 1.00 1.08 0.00 0.00 0.00 173.10 174.41 3h3p s LEU 45 N -5.17 4.14 -0.06 0.66 1.43 -1.26 -4.30 118.68 114.12 3h3p s LEU 45 Ca 0.64 1.91 -0.02 0.00 -1.03 0.00 0.00 54.13 55.63 3h3p s LEU 45 Cb -0.07 -4.22 0.03 0.00 0.03 0.00 0.00 46.19 41.96 3h3p s LEU 45 CO 0.44 -0.36 0.03 -1.61 0.23 0.00 0.00 176.35 175.08 3h3p s GLU 46 N -2.54 0.28 0.05 1.70 2.02 0.35 -4.97 118.70 115.60 3h3p s GLU 46 Ca 0.57 0.21 -0.31 0.00 0.02 0.00 0.00 54.97 55.46 3h3p s GLU 46 Cb -0.18 -0.83 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 3h3p s GLU 46 CO 0.23 -0.34 1.17 -0.46 0.02 0.00 0.00 175.26 175.88 3h3p s TRP 47 N 2.06 3.47 -0.24 1.61 -0.00 -1.26 -0.74 118.94 123.84 3h3p s TRP 47 Ca 0.05 1.35 -0.15 0.00 -0.00 0.00 0.00 56.10 57.36 3h3p s TRP 47 Cb -0.12 -3.38 -0.10 0.00 -0.00 0.00 0.00 33.47 29.87 3h3p s TRP 47 CO -0.04 -1.11 -0.34 -1.33 -0.00 0.00 0.00 176.95 174.12 3h3p n MET 48 N 3.92 0.55 0.00 5.86 2.81 0.32 -4.81 117.12 125.77 3h3p n MET 48 Ca 0.09 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 3h3p n MET 48 Cb 0.47 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3h3p n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h3p n GLY 49 N 1.38 -0.72 3.74 3.03 0.00 -1.19 -0.50 105.19 110.92 3h3p n GLY 49 Ca -0.42 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 3h3p n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3p s GLY 50 N 0.00 0.32 -0.09 -0.02 0.00 -0.21 -0.52 107.32 106.80 3h3p s GLY 50 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 3h3p s GLY 50 CO 0.00 -0.37 0.22 0.54 0.00 0.00 0.00 173.10 173.49 3h3p s VAL 51 N -3.54 -0.04 -0.42 1.40 0.11 0.96 -1.56 120.40 117.31 3h3p s VAL 51 Ca 0.17 0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.20 3h3p s VAL 51 Cb -0.04 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 3h3p s VAL 51 CO 0.10 0.06 0.35 -0.63 -3.33 0.00 0.00 175.10 171.65 3h3p s ILE 52 N 1.09 5.20 0.22 7.04 1.01 -0.60 -2.03 121.20 133.12 3h3p s ILE 52 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 3h3p s ILE 52 Cb -0.09 -3.98 0.16 0.00 0.01 0.00 0.00 42.46 38.56 3h3p s ILE 52 CO -0.07 -0.37 1.75 -0.65 0.00 0.00 0.00 174.94 175.60 3h3p h PRO 53 N 8.67 0.44 -6.14 2.79 0.11 -1.80 -1.23 132.00 134.85 3h3p h PRO 53 Ca -0.27 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.21 3h3p h PRO 53 Cb 1.12 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.13 3h3p h PRO 53 CO 0.76 0.29 1.31 -0.11 -0.21 0.00 0.00 178.00 180.04 3h3p n LEU 54 N -4.97 3.21 0.00 2.35 7.94 0.03 -0.03 117.00 125.54 3h3p n LEU 54 Ca 0.10 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.61 3h3p n LEU 54 Cb 0.29 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.82 3h3p n LEU 54 CO 0.22 -0.35 0.00 0.18 -1.11 0.00 0.00 177.39 176.33 3h3p n LEU 55 N 8.99 0.38 -3.81 -1.96 4.77 -1.26 -4.05 117.00 120.06 3h3p n LEU 55 Ca 0.28 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.91 3h3p n LEU 55 Cb 0.34 -0.90 0.03 0.00 -2.33 0.00 0.00 43.42 40.57 3h3p n LEU 55 CO 0.71 -0.28 -0.11 0.41 -1.33 0.00 0.00 177.39 176.80 3h3p n THR 56 N -2.29 -4.70 -2.77 -5.08 -1.04 0.96 -4.89 114.28 94.47 3h3p n THR 56 Ca 0.00 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.05 60.85 3h3p n THR 56 Cb 0.09 -3.60 -0.04 0.00 -1.82 0.00 0.00 70.33 64.97 3h3p n THR 56 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3h3p s ILE 57 N -3.43 4.38 0.36 12.58 1.01 -0.48 -4.92 121.20 130.69 3h3p s ILE 57 Ca 0.43 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.87 3h3p s ILE 57 Cb -0.19 -4.51 -0.01 0.00 0.01 0.00 0.00 42.46 37.76 3h3p s ILE 57 CO 0.90 -0.97 0.41 0.42 0.00 0.00 0.00 174.94 175.71 3h3p s THR 58 N 4.00 3.59 -0.28 2.92 -4.23 -1.26 -1.56 115.64 118.83 3h3p s THR 58 Ca 0.38 -1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3h3p s THR 58 Cb -0.10 -3.23 0.17 0.00 1.34 0.00 0.00 72.50 70.67 3h3p s THR 58 CO 0.26 -0.13 0.50 0.21 -0.54 0.00 0.00 174.62 174.92 3h3p s ASN 59 N -4.13 -0.65 -0.04 3.99 2.47 -0.60 -4.98 114.94 110.99 3h3p s ASN 59 Ca 0.45 0.42 -0.01 0.00 0.42 0.00 0.00 52.86 54.14 3h3p s ASN 59 Cb -0.08 1.67 -0.04 0.00 -1.45 0.00 0.00 41.25 41.36 3h3p s ASN 59 CO 0.29 -0.29 0.05 -0.31 -3.72 0.00 0.00 177.10 173.12 3h3p s TYR 60 N 2.71 3.24 -0.04 0.43 1.51 -1.26 -1.04 117.35 122.90 3h3p s TYR 60 Ca 0.15 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 56.13 3h3p s TYR 60 Cb -0.14 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 3h3p s TYR 60 CO -0.21 0.53 1.15 0.00 -1.11 0.00 0.00 175.55 175.90 3h3p s ALA 61 N -1.05 3.43 0.37 3.71 0.00 0.34 -4.89 121.76 123.67 3h3p s ALA 61 Ca 0.18 0.61 0.15 0.00 0.00 0.00 0.00 51.96 52.90 3h3p s ALA 61 Cb -0.12 -3.47 1.02 0.00 0.00 0.00 0.00 23.12 20.55 3h3p s ALA 61 CO 0.08 -0.63 1.77 -1.35 0.00 0.00 0.00 175.76 175.64 3h3p h PRO 62 N 7.22 0.46 -0.15 0.00 0.11 -1.94 0.12 132.00 137.83 3h3p h PRO 62 Ca -0.36 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.77 3h3p h PRO 62 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3h3p h PRO 62 CO 0.85 0.31 0.29 -0.09 -0.21 0.00 0.00 178.00 179.15 3h3p h ARG 63 N 0.48 0.00 0.00 1.05 2.43 -1.94 -2.29 114.38 114.11 3h3p h ARG 63 Ca 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 3h3p h ARG 63 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3h3p h ARG 63 CO -0.32 0.00 -0.71 1.19 -1.51 0.00 0.00 179.97 178.62 3h3p n PHE 64 N -3.34 0.00 -1.52 2.20 3.01 0.09 -5.01 117.46 112.88 3h3p n PHE 64 Ca 0.01 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.93 3h3p n PHE 64 Cb 0.39 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.76 3h3p n PHE 64 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3h3p n GLN 65 N -1.37 0.47 0.00 -1.08 -0.06 0.21 -1.17 117.38 114.38 3h3p n GLN 65 Ca -0.00 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 3h3p n GLN 65 Cb 0.06 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 24.60 3h3p n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3h3p n GLY 66 N 1.89 3.04 0.56 1.69 0.00 -1.26 -4.79 105.19 106.31 3h3p n GLY 66 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3h3p n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3p n ARG 67 N -0.21 1.24 -4.07 1.61 1.74 -0.31 -4.95 116.66 111.71 3h3p n ARG 67 Ca 0.00 -1.46 -0.07 0.00 -0.77 0.00 0.00 57.85 55.55 3h3p n ARG 67 Cb 0.00 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 3h3p n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3h3p s ILE 68 N -1.05 0.20 -0.11 0.55 -4.36 -1.20 -1.30 121.20 113.94 3h3p s ILE 68 Ca 0.17 -1.68 -0.04 0.00 -0.26 0.00 0.00 60.65 58.84 3h3p s ILE 68 Cb 0.11 -1.35 0.05 0.00 1.25 0.00 0.00 42.46 42.52 3h3p s ILE 68 CO 0.16 -0.93 0.23 -0.89 0.24 0.00 0.00 174.94 173.75 3h3p s THR 69 N -3.60 -0.20 -0.11 8.37 2.01 0.20 -4.93 115.64 117.38 3h3p s THR 69 Ca 0.04 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 3h3p s THR 69 Cb 0.06 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3h3p s THR 69 CO -0.09 0.09 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.25 3h3p s ILE 70 N 1.79 3.75 0.14 1.82 1.01 -1.26 -0.45 121.20 128.00 3h3p s ILE 70 Ca -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 3h3p s ILE 70 Cb -0.11 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3h3p s ILE 70 CO -0.08 0.55 0.07 0.42 0.00 0.00 0.00 174.94 175.91 3h3p s THR 71 N -0.27 0.10 -0.03 2.92 -4.23 -0.83 -5.02 115.64 108.28 3h3p s THR 71 Ca 0.04 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3h3p s THR 71 Cb -0.13 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.69 3h3p s THR 71 CO 0.02 -0.44 0.06 0.00 -0.54 0.00 0.00 174.62 173.73 3h3p s ALA 72 N -4.05 -0.05 -0.35 3.99 0.00 -1.26 -0.88 121.76 119.16 3h3p s ALA 72 Ca 0.24 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 3h3p s ALA 72 Cb 0.07 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.03 3h3p s ALA 72 CO 0.02 -0.09 0.10 0.34 0.00 0.00 0.00 175.76 176.12 3h3p s ASP 73 N 0.78 5.05 0.34 0.00 -1.08 0.29 -4.97 116.67 117.09 3h3p s ASP 73 Ca -0.06 -1.67 0.17 0.00 -0.52 0.00 0.00 52.55 50.47 3h3p s ASP 73 Cb -0.09 -1.76 0.52 0.00 -1.46 0.00 0.00 42.92 40.13 3h3p s ASP 73 CO -0.03 -0.40 1.66 0.03 0.52 0.00 0.00 175.17 176.96 3h3p h ARG 74 N 7.99 0.00 0.00 4.34 3.08 -1.96 0.17 114.38 128.00 3h3p h ARG 74 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3h3p h ARG 74 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3h3p h ARG 74 CO 0.61 0.43 0.00 -1.13 -1.07 0.00 0.00 179.97 178.81 3h3p n SER 75 N -3.48 0.00 0.00 7.04 3.41 -1.26 -3.36 113.62 115.97 3h3p n SER 75 Ca 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3h3p n SER 75 Cb 0.57 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3h3p n SER 75 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h3p n THR 76 N -1.47 0.00 -3.06 6.66 -2.24 -0.87 -5.02 114.28 108.28 3h3p n THR 76 Ca 0.05 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 3h3p n THR 76 Cb 0.22 1.12 0.03 0.00 -2.10 0.00 0.00 70.33 69.59 3h3p n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h3p n SER 77 N -0.43 -5.85 -4.27 3.42 7.64 0.54 -4.75 113.62 109.92 3h3p n SER 77 Ca 0.00 -0.30 -0.33 0.00 1.01 0.00 0.00 58.87 59.26 3h3p n SER 77 Cb 0.03 -4.74 -0.16 0.00 -1.01 0.00 0.00 64.21 58.34 3h3p n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h3p s THR 78 N -3.15 2.54 -0.01 0.44 2.01 -1.08 -0.61 115.64 115.78 3h3p s THR 78 Ca 0.31 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 3h3p s THR 78 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3h3p s THR 78 CO 0.39 0.53 0.14 0.00 -0.69 0.00 0.00 174.62 174.99 3h3p s ALA 79 N 0.57 3.80 0.06 7.40 0.00 0.12 -0.55 121.76 133.15 3h3p s ALA 79 Ca -0.11 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3h3p s ALA 79 Cb -0.16 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3h3p s ALA 79 CO 0.04 0.72 -0.16 0.71 0.00 0.00 0.00 175.76 177.07 3h3p s TYR 80 N -1.27 1.42 -0.19 0.00 1.51 -0.06 0.33 117.35 119.09 3h3p s TYR 80 Ca 0.25 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 3h3p s TYR 80 Cb -0.12 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.95 3h3p s TYR 80 CO 0.17 0.08 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.45 3h3p s LEU 81 N -1.42 1.96 -0.27 -1.29 2.96 -0.24 -1.96 118.68 118.41 3h3p s LEU 81 Ca 0.02 -0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 3h3p s LEU 81 Cb -0.09 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 3h3p s LEU 81 CO 0.02 -0.18 0.21 -0.70 -1.32 0.00 0.00 176.35 174.38 3h3p s GLU 82 N 1.53 3.97 -0.25 1.98 2.12 0.41 -1.06 118.70 127.39 3h3p s GLU 82 Ca -0.01 -0.27 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 3h3p s GLU 82 Cb -0.16 -3.65 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 3h3p s GLU 82 CO -0.08 -0.17 0.05 -0.51 -0.54 0.00 0.00 175.26 174.02 3h3p s LEU 83 N 1.73 3.43 0.31 2.70 1.02 -0.79 -0.63 118.68 126.45 3h3p s LEU 83 Ca 0.08 -0.35 0.08 0.00 0.02 0.00 0.00 54.13 53.96 3h3p s LEU 83 Cb -0.16 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 3h3p s LEU 83 CO 0.10 -0.07 0.21 0.54 0.02 0.00 0.00 176.35 177.16 3h3p s ASN 84 N 1.57 5.16 -0.97 2.29 2.20 -0.42 -2.26 114.94 122.51 3h3p s ASN 84 Ca 0.06 -0.51 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 3h3p s ASN 84 Cb -0.15 -1.01 -0.03 0.00 -2.00 0.00 0.00 41.25 38.05 3h3p s ASN 84 CO 0.02 -0.24 0.83 -1.20 -2.94 0.00 0.00 177.10 173.58 3h3p n SER 85 N -1.24 -4.34 -4.79 3.54 7.64 -1.03 -4.81 113.62 108.60 3h3p n SER 85 Ca -0.04 -0.59 -0.36 0.00 1.01 0.00 0.00 58.87 58.90 3h3p n SER 85 Cb 0.60 -4.59 -0.05 0.00 -1.01 0.00 0.00 64.21 59.15 3h3p n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h3p s LEU 86 N -5.40 4.12 0.19 -3.43 1.43 -1.05 -4.77 118.68 109.77 3h3p s LEU 86 Ca 0.23 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 3h3p s LEU 86 Cb -0.03 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 41.89 3h3p s LEU 86 CO 0.64 -0.36 -0.03 -0.13 0.23 0.00 0.00 176.35 176.70 3h3p s ARG 87 N -2.60 1.20 0.57 1.70 0.52 -1.26 -0.82 118.95 118.26 3h3p s ARG 87 Ca 0.57 -1.58 0.32 0.00 -0.52 0.00 0.00 55.73 54.53 3h3p s ARG 87 Cb -0.17 -0.53 1.44 0.00 0.52 0.00 0.00 34.95 36.21 3h3p s ARG 87 CO 0.22 -0.06 1.78 -1.35 0.02 0.00 0.00 175.30 175.91 3h3p h PRO 88 N 2.61 0.00 0.00 3.54 0.11 -1.98 0.19 132.00 136.48 3h3p h PRO 88 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3h3p h PRO 88 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h3p h PRO 88 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 3h3p n GLU 89 N -3.88 0.15 0.03 1.05 1.02 -1.26 -2.48 120.64 115.26 3h3p n GLU 89 Ca 0.18 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.75 3h3p n GLU 89 Cb 1.05 -1.75 0.49 0.00 -0.02 0.00 0.00 31.44 31.21 3h3p n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h3p n ASP 90 N -2.03 0.30 -4.67 1.62 8.00 0.68 -4.85 116.55 115.61 3h3p n ASP 90 Ca 0.04 0.39 -0.53 0.00 0.71 0.00 0.00 54.79 55.40 3h3p n ASP 90 Cb 0.28 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 3h3p n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3h3p n THR 91 N -1.72 0.23 -3.60 -3.53 -1.04 -1.04 -4.90 114.28 98.69 3h3p n THR 91 Ca 0.06 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.05 3h3p n THR 91 Cb 0.37 -1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 67.63 3h3p n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3p s ALA 92 N 2.49 -2.28 0.04 2.41 0.00 -0.96 -4.56 121.76 118.90 3h3p s ALA 92 Ca 0.92 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 3h3p s ALA 92 Cb -0.94 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 3h3p s ALA 92 CO 0.55 -1.01 0.40 0.08 0.00 0.00 0.00 175.76 175.79 3h3p s VAL 93 N -2.33 5.06 -0.28 0.00 1.01 0.85 -1.20 120.40 123.52 3h3p s VAL 93 Ca 0.14 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.79 3h3p s VAL 93 Cb 0.05 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.83 3h3p s VAL 93 CO -0.05 0.44 -0.01 -0.31 0.00 0.00 0.00 175.10 175.18 3h3p s TYR 94 N -1.23 2.77 0.15 5.22 1.51 -0.55 -0.71 117.35 124.51 3h3p s TYR 94 Ca 0.28 -2.17 -0.13 0.00 -1.01 0.00 0.00 57.07 54.04 3h3p s TYR 94 Cb -0.15 -2.02 -0.07 0.00 -0.11 0.00 0.00 41.96 39.61 3h3p s TYR 94 CO 0.15 -0.85 0.53 0.71 -1.11 0.00 0.00 175.55 174.98 3h3p s TYR 95 N 1.26 3.57 0.05 2.71 1.51 0.98 -2.69 117.35 124.74 3h3p s TYR 95 Ca 0.01 0.99 0.01 0.00 -1.01 0.00 0.00 57.07 57.07 3h3p s TYR 95 Cb -0.19 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 3h3p s TYR 95 CO -0.10 0.41 0.11 0.00 -1.11 0.00 0.00 175.55 174.86 3h3p s ALA 97 N -1.36 -0.50 -0.01 0.00 0.00 0.66 -1.59 121.76 118.96 3h3p s ALA 97 Ca 0.29 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.84 3h3p s ALA 97 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3h3p s ALA 97 CO 0.21 -0.11 -0.24 0.50 0.00 0.00 0.00 175.76 176.12 3h3p s ARG 98 N -0.02 2.12 0.57 0.00 6.06 0.17 0.17 118.95 128.02 3h3p s ARG 98 Ca -0.01 -0.93 -0.19 0.00 -2.50 0.00 0.00 55.73 52.10 3h3p s ARG 98 Cb -0.02 -2.08 -0.05 0.00 0.06 0.00 0.00 34.95 32.86 3h3p s ARG 98 CO 0.00 0.56 1.15 -1.83 -2.50 0.00 0.00 175.30 172.69 3h3p s GLU 99 N -0.74 3.17 0.51 5.12 -1.05 -0.77 -2.49 118.70 122.45 3h3p s GLU 99 Ca 0.11 1.66 -0.07 0.00 -0.15 0.00 0.00 54.97 56.52 3h3p s GLU 99 Cb -0.10 -1.97 0.11 0.00 -0.44 0.00 0.00 34.13 31.73 3h3p s GLU 99 CO -0.00 -1.01 0.69 0.41 0.95 0.00 0.00 175.26 176.31 3h3p n GLY 100 N 0.22 -0.75 2.98 -3.83 0.00 -0.85 -4.69 105.19 98.27 3h3p n GLY 100 Ca 0.12 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 3h3p n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h3p s THR 101 N -2.34 0.21 -0.48 2.61 -4.23 -1.26 -1.15 115.64 109.00 3h3p s THR 101 Ca 0.41 -0.75 -0.25 0.00 -1.18 0.00 0.00 61.69 59.92 3h3p s THR 101 Cb -0.01 -0.30 0.03 0.00 1.34 0.00 0.00 72.50 73.55 3h3p s THR 101 CO 0.28 -0.35 0.93 0.42 -0.54 0.00 0.00 174.62 175.36 3h3p s THR 102 N -1.11 4.45 0.00 3.99 -4.23 0.16 -4.87 115.64 114.04 3h3p s THR 102 Ca -0.11 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 3h3p s THR 102 Cb -0.08 -4.46 0.00 0.00 1.34 0.00 0.00 72.50 69.30 3h3p s THR 102 CO -0.00 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 173.78 3h3p n GLY 103 N 4.98 1.40 0.41 3.99 0.00 -1.26 -3.86 105.19 110.85 3h3p n GLY 103 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.65 3h3p n GLY 103 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3h3p n TRP 106 N 0.00 0.37 -1.88 1.61 -0.00 -1.26 -5.03 117.44 111.26 3h3p n TRP 106 Ca 0.00 -0.75 -0.27 0.00 -0.00 0.00 0.00 57.50 56.48 3h3p n TRP 106 Cb 0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 31.31 31.19 3h3p n TRP 106 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3h3p n LEU 107 N -0.57 5.56 0.00 5.87 7.99 -1.26 -4.84 117.00 129.75 3h3p n LEU 107 Ca 0.13 -4.66 0.00 0.00 -0.01 0.00 0.00 56.01 51.47 3h3p n LEU 107 Cb 0.59 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 3h3p n LEU 107 CO 0.06 1.97 0.00 0.61 -1.51 0.00 0.00 177.39 178.52 3h3p n GLY 108 N -0.75 0.28 3.71 -0.72 0.00 -1.26 -5.02 105.19 101.42 3h3p n GLY 108 Ca 0.48 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 3h3p n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h3p s LYS 109 N -1.82 4.47 0.49 1.61 2.20 -1.25 -4.63 119.74 120.81 3h3p s LYS 109 Ca 0.00 1.58 -0.23 0.00 -0.36 0.00 0.00 55.97 56.96 3h3p s LYS 109 Cb 0.00 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 3h3p s LYS 109 CO 0.00 -0.21 1.27 -1.25 -0.36 0.00 0.00 175.35 174.80 3h3p s PRO 110 N 1.30 3.49 0.00 4.03 0.04 -1.26 0.40 135.00 143.01 3h3p s PRO 110 Ca 0.55 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.71 3h3p s PRO 110 Cb -0.24 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 31.96 3h3p s PRO 110 CO 0.26 -0.84 0.73 0.44 0.04 0.00 0.00 177.00 177.63 3h3p n ILE 111 N -0.68 0.00 0.00 0.56 -5.35 -0.30 -4.84 119.36 108.75 3h3p n ILE 111 Ca 0.08 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3h3p n ILE 111 Cb 0.46 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 3h3p n ILE 111 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h3p n GLY 112 N 0.82 1.71 3.63 3.28 0.00 -1.26 -4.93 105.19 108.44 3h3p n GLY 112 Ca 0.05 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3h3p n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3p n ALA 113 N 0.00 -0.63 -2.85 4.61 0.00 -1.26 -4.54 120.51 115.83 3h3p n ALA 113 Ca 0.00 -0.38 -0.44 0.00 0.00 0.00 0.00 53.44 52.62 3h3p n ALA 113 Cb 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 3h3p n ALA 113 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3h3p s PHE 114 N -2.20 3.11 -0.23 0.00 0.08 -1.26 -2.01 117.98 115.46 3h3p s PHE 114 Ca 0.70 -0.72 0.21 0.00 0.12 0.00 0.00 56.93 57.23 3h3p s PHE 114 Cb -0.28 -3.50 0.02 0.00 -0.57 0.00 0.00 43.02 38.70 3h3p s PHE 114 CO 0.55 -0.99 1.11 0.00 -0.10 0.00 0.00 175.22 175.78 3h3p h ALA 115 N 8.94 0.62 -3.12 5.36 0.00 -1.81 -3.46 119.26 125.80 3h3p h ALA 115 Ca -0.28 -0.24 -0.64 0.00 0.00 0.00 0.00 54.91 53.75 3h3p h ALA 115 Cb 1.10 0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 3h3p h ALA 115 CO 0.96 0.27 -0.85 -1.01 0.00 0.00 0.00 179.25 178.62 3h3p s HIS 116 N -3.20 2.47 0.18 0.00 3.76 -1.04 -4.99 115.29 112.47 3h3p s HIS 116 Ca 0.00 -1.39 0.10 0.00 -0.15 0.00 0.00 55.06 53.63 3h3p s HIS 116 Cb 0.08 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 3h3p s HIS 116 CO 0.77 -0.70 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.16 3h3p s TRP 117 N 1.26 2.12 0.99 1.40 0.52 -1.26 -0.65 118.94 123.32 3h3p s TRP 117 Ca 0.02 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.58 3h3p s TRP 117 Cb -0.13 -1.06 0.21 0.00 -1.15 0.00 0.00 33.47 31.33 3h3p s TRP 117 CO -0.09 0.43 1.30 0.20 0.02 0.00 0.00 176.95 178.80 3h3p s GLY 118 N -2.61 1.75 0.36 0.98 0.00 -0.62 -4.43 107.32 102.75 3h3p s GLY 118 Ca 0.18 -1.16 0.23 0.00 0.00 0.00 0.00 44.72 43.97 3h3p s GLY 118 CO 0.08 -0.38 1.42 1.46 0.00 0.00 0.00 173.10 175.68 3h3p h GLN 119 N -1.74 0.00 0.00 2.90 4.20 -1.91 -3.46 115.11 115.10 3h3p h GLN 119 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3h3p h GLN 119 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3h3p h GLN 119 CO 0.38 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.97 3h3p n GLY 120 N 1.13 2.29 2.78 3.46 0.00 -1.26 -5.03 105.19 108.57 3h3p n GLY 120 Ca 0.03 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 3h3p n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3p s THR 121 N -2.56 0.56 -0.04 2.61 2.01 -1.09 -4.85 115.64 112.27 3h3p s THR 121 Ca 0.00 -0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 3h3p s THR 121 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 3h3p s THR 121 CO 0.00 0.10 0.88 -0.22 -0.69 0.00 0.00 174.62 174.69 3h3p s LEU 122 N 1.88 4.33 -0.23 4.42 2.96 -1.26 -1.48 118.68 129.30 3h3p s LEU 122 Ca 0.03 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 55.40 3h3p s LEU 122 Cb -0.14 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3h3p s LEU 122 CO -0.07 -0.23 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.93 3h3p s VAL 123 N 1.07 2.60 -0.19 1.68 1.01 -0.34 -1.98 120.40 124.25 3h3p s VAL 123 Ca 0.46 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3h3p s VAL 123 Cb -0.20 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3h3p s VAL 123 CO 0.23 0.29 0.05 -0.89 0.00 0.00 0.00 175.10 174.78 3h3p s THR 124 N 1.30 4.55 -0.30 3.92 2.01 -0.91 -2.26 115.64 123.96 3h3p s THR 124 Ca 0.01 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 3h3p s THR 124 Cb -0.16 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.30 3h3p s THR 124 CO -0.07 0.44 0.09 -0.69 -0.69 0.00 0.00 174.62 173.71 3h3p s VAL 125 N 0.60 4.05 0.00 3.82 1.01 -1.26 -0.66 120.40 127.97 3h3p s VAL 125 Ca 0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3h3p s VAL 125 Cb -0.13 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3h3p s VAL 125 CO 0.02 0.05 0.22 -0.55 0.00 0.00 0.00 175.10 174.84 3h3p s SER 126 N 1.51 -0.06 0.13 3.32 0.15 -0.04 -4.32 113.70 114.38 3h3p s SER 126 Ca 0.03 -0.12 0.23 0.00 0.70 0.00 0.00 55.95 56.78 3h3p s SER 126 Cb -0.17 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.48 3h3p s SER 126 CO 0.03 -0.44 1.08 -1.20 1.20 0.00 0.00 173.24 173.90 3h3p n SER 127 N 1.21 0.70 0.00 5.45 7.64 -1.26 -4.17 113.62 123.19 3h3p n SER 127 Ca -0.22 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3h3p n SER 127 Cb 0.56 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 3h3p n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03