#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i s SER 2 N 0.00 -0.18 0.29 1.61 0.15 -1.26 -5.19 113.70 109.12 1x5i s SER 2 Ca 0.00 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1x5i s SER 2 Cb 0.00 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1x5i s SER 2 CO 0.00 -0.17 0.28 -0.44 1.20 0.00 0.00 173.24 174.10 1x5i s SER 3 N -1.11 1.02 -0.35 5.45 0.01 -1.26 -5.13 113.70 112.33 1x5i s SER 3 Ca 0.04 -1.57 -0.06 0.00 1.31 0.00 0.00 55.95 55.68 1x5i s SER 3 Cb -0.01 0.52 0.21 0.00 0.21 0.00 0.00 66.02 66.96 1x5i s SER 3 CO -0.04 -1.04 1.07 -0.83 0.41 0.00 0.00 173.24 172.81 1x5i s GLY 4 N -3.27 -1.86 -0.06 3.44 0.00 -1.26 -5.15 107.32 99.16 1x5i s GLY 4 Ca 0.38 0.56 0.04 0.00 0.00 0.00 0.00 44.72 45.70 1x5i s GLY 4 CO 0.21 4.27 -0.18 -0.45 0.00 0.00 0.00 173.10 176.95 1x5i s SER 5 N 1.04 2.27 0.02 1.64 0.15 -1.26 -5.13 113.70 112.43 1x5i s SER 5 Ca 0.23 -0.38 -0.28 0.00 0.70 0.00 0.00 55.95 56.22 1x5i s SER 5 Cb 0.11 -0.78 0.10 0.00 -1.71 0.00 0.00 66.02 63.73 1x5i s SER 5 CO -0.11 0.13 0.83 -0.55 1.20 0.00 0.00 173.24 174.75 1x5i s SER 6 N 0.21 -0.41 -0.51 5.45 0.15 -1.26 -5.12 113.70 112.21 1x5i s SER 6 Ca -0.08 0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1x5i s SER 6 Cb -0.14 0.43 0.17 0.00 -1.71 0.00 0.00 66.02 64.78 1x5i s SER 6 CO 0.04 -0.68 0.40 0.61 1.20 0.00 0.00 173.24 174.81 1x5i n GLY 7 N -0.21 2.78 0.00 9.45 0.00 -1.26 -4.93 105.19 111.02 1x5i n GLY 7 Ca -0.11 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.25 1x5i n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5i n PRO 8 N 2.49 0.30 -2.17 1.61 -0.04 -1.26 -4.60 135.00 131.33 1x5i n PRO 8 Ca 0.27 0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.50 1x5i n PRO 8 Cb 0.44 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1x5i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5i s ALA 9 N -2.38 1.99 -0.38 0.55 0.00 -1.26 -4.78 121.76 115.50 1x5i s ALA 9 Ca 0.17 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1x5i s ALA 9 Cb 0.10 -4.50 0.45 0.00 0.00 0.00 0.00 23.12 19.17 1x5i s ALA 9 CO 0.21 -4.38 1.34 0.25 0.00 0.00 0.00 175.76 173.18 1x5i n THR 10 N 7.52 2.72 -3.36 0.00 -2.24 -1.26 -4.94 114.28 112.72 1x5i n THR 10 Ca 0.34 -4.09 -0.46 0.00 -2.27 0.00 0.00 64.05 57.57 1x5i n THR 10 Cb 0.49 -1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 1x5i n THR 10 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1x5i s ASP 11 N -3.24 6.69 -0.44 3.42 -4.77 -1.26 -4.96 116.67 112.12 1x5i s ASP 11 Ca 0.53 -2.78 0.02 0.00 -3.30 0.00 0.00 52.55 47.02 1x5i s ASP 11 Cb 0.43 -2.18 0.14 0.00 -1.09 0.00 0.00 42.92 40.21 1x5i s ASP 11 CO -0.00 -0.54 0.26 0.26 0.70 0.00 0.00 175.17 175.85 1x5i s TRP 12 N 0.03 1.74 -0.09 2.11 0.52 -1.26 -4.94 118.94 117.05 1x5i s TRP 12 Ca 0.19 -2.31 0.04 0.00 0.02 0.00 0.00 56.10 54.04 1x5i s TRP 12 Cb -0.11 -1.65 -0.24 0.00 -1.15 0.00 0.00 33.47 30.32 1x5i s TRP 12 CO -0.09 -0.78 0.46 1.47 0.02 0.00 0.00 176.95 178.04 1x5i n LEU 13 N 3.48 1.68 -4.56 2.99 -0.00 -1.26 -4.77 117.00 114.56 1x5i n LEU 13 Ca 0.12 0.28 -0.27 0.00 -0.00 0.00 0.00 56.01 56.14 1x5i n LEU 13 Cb 0.36 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 43.32 1x5i n LEU 13 CO 0.21 0.62 1.53 -0.44 -0.00 0.00 0.00 177.39 179.31 1x5i s SER 14 N -6.48 4.56 -0.63 1.45 0.01 -1.26 -4.89 113.70 106.46 1x5i s SER 14 Ca -0.14 0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.27 1x5i s SER 14 Cb 0.07 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.93 1x5i s SER 14 CO 0.79 -3.09 0.48 0.00 0.41 0.00 0.00 173.24 171.83 1x5i s ALA 15 N 12.02 3.64 0.01 1.44 0.00 -1.26 -5.05 121.76 132.56 1x5i s ALA 15 Ca 0.84 -3.11 0.06 0.00 0.00 0.00 0.00 51.96 49.75 1x5i s ALA 15 Cb -0.13 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1x5i s ALA 15 CO 0.13 -2.09 -0.19 -2.00 0.00 0.00 0.00 175.76 171.61 1x5i s GLU 16 N 0.30 1.39 -0.35 0.00 2.56 -1.26 -5.12 118.70 116.22 1x5i s GLU 16 Ca 0.15 -0.76 -0.08 0.00 0.00 0.00 0.00 54.97 54.28 1x5i s GLU 16 Cb -0.19 -1.40 0.03 0.00 2.00 0.00 0.00 34.13 34.57 1x5i s GLU 16 CO -0.04 0.37 0.13 0.99 -0.56 0.00 0.00 175.26 176.15 1x5i s THR 17 N -0.60 4.02 -0.71 -1.70 2.01 -1.26 -4.97 115.64 112.43 1x5i s THR 17 Ca 0.07 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 1x5i s THR 17 Cb -0.08 -3.26 0.41 0.00 0.01 0.00 0.00 72.50 69.58 1x5i s THR 17 CO 0.00 -0.18 2.05 0.33 -0.69 0.00 0.00 174.62 176.13 1x5i n PHE 18 N 4.87 3.10 -1.63 4.92 7.35 -1.26 -4.49 117.46 130.32 1x5i n PHE 18 Ca -0.12 -2.80 -0.11 0.00 -0.76 0.00 0.00 57.45 53.66 1x5i n PHE 18 Cb 0.45 -1.37 0.14 0.00 0.35 0.00 0.00 39.48 39.05 1x5i n PHE 18 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1x5i n GLU 19 N -0.76 2.38 0.08 -4.13 2.13 -1.26 -4.63 120.64 114.45 1x5i n GLU 19 Ca 0.59 -3.50 -0.01 0.00 0.66 0.00 0.00 57.16 54.90 1x5i n GLU 19 Cb 0.53 -1.96 -0.05 0.00 0.27 0.00 0.00 31.44 30.23 1x5i n GLU 19 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1x5i h SER 20 N 1.43 0.00 -3.02 4.31 4.64 -2.04 -3.41 113.55 115.45 1x5i h SER 20 Ca 0.27 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.00 1x5i h SER 20 Cb 1.43 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.13 1x5i h SER 20 CO 0.55 0.69 -0.79 -1.81 -0.87 0.00 0.00 176.83 174.60 1x5i s ASP 21 N -6.35 3.44 0.11 4.97 1.01 -1.26 -5.11 116.67 113.47 1x5i s ASP 21 Ca 0.01 -2.17 -0.11 0.00 0.71 0.00 0.00 52.55 51.00 1x5i s ASP 21 Cb 0.08 -0.69 0.01 0.00 1.01 0.00 0.00 42.92 43.33 1x5i s ASP 21 CO 0.79 -0.32 0.25 -0.76 0.21 0.00 0.00 175.17 175.33 1x5i s LEU 22 N 1.01 1.12 -1.02 1.23 1.43 -1.26 -5.09 118.68 116.09 1x5i s LEU 22 Ca 0.16 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1x5i s LEU 22 Cb -0.22 1.26 0.26 0.00 0.03 0.00 0.00 46.19 47.52 1x5i s LEU 22 CO -0.07 -0.78 0.99 -1.81 0.23 0.00 0.00 176.35 174.91 1x5i s ASP 23 N -2.86 7.00 -0.10 2.29 1.01 -1.05 -4.78 116.67 118.19 1x5i s ASP 23 Ca 0.06 -3.43 0.10 0.00 0.71 0.00 0.00 52.55 49.99 1x5i s ASP 23 Cb 0.04 -2.16 -0.24 0.00 1.01 0.00 0.00 42.92 41.57 1x5i s ASP 23 CO -0.10 -0.33 0.43 1.21 0.21 0.00 0.00 175.17 176.59 1x5i n GLU 24 N 2.90 0.67 0.02 8.23 0.00 -1.26 -3.75 120.64 127.44 1x5i n GLU 24 Ca 0.21 0.22 0.18 0.00 0.00 0.00 0.00 57.16 57.77 1x5i n GLU 24 Cb 0.40 -1.70 0.36 0.00 0.00 0.00 0.00 31.44 30.50 1x5i n GLU 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x5i h THR 25 N 0.01 0.04 -3.51 6.31 1.03 -1.98 -3.37 112.91 111.44 1x5i h THR 25 Ca -0.38 0.00 -0.68 0.00 -0.01 0.00 0.00 66.41 65.34 1x5i h THR 25 Cb 2.06 0.11 -0.17 0.00 -1.07 0.00 0.00 68.15 69.08 1x5i h THR 25 CO 0.06 0.00 -0.66 0.00 -0.01 0.00 0.00 175.52 174.91 1x5i s ARG 26 N -4.30 2.88 0.50 0.00 1.70 -1.26 -4.93 118.95 113.54 1x5i s ARG 26 Ca -0.02 -0.49 -0.22 0.00 -0.47 0.00 0.00 55.73 54.53 1x5i s ARG 26 Cb 0.10 -2.69 -0.07 0.00 -0.57 0.00 0.00 34.95 31.72 1x5i s ARG 26 CO 0.32 0.66 1.18 0.14 -1.08 0.00 0.00 175.30 176.53 1x5i s VAL 27 N -0.79 2.98 -0.67 4.99 -7.23 -1.26 -4.75 120.40 113.66 1x5i s VAL 27 Ca 0.12 0.70 -0.26 0.00 -1.81 0.00 0.00 61.98 60.73 1x5i s VAL 27 Cb -0.11 -3.33 -0.03 0.00 0.56 0.00 0.00 36.38 33.47 1x5i s VAL 27 CO 0.02 -0.05 1.88 -2.16 -0.31 0.00 0.00 175.10 174.48 1x5i s PRO 28 N -2.89 2.61 1.04 4.82 0.04 -1.26 -4.97 135.00 134.39 1x5i s PRO 28 Ca 0.67 0.43 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1x5i s PRO 28 Cb -0.29 -4.52 0.01 0.00 0.04 0.00 0.00 34.50 29.74 1x5i s PRO 28 CO 0.34 -2.86 -0.23 0.39 0.04 0.00 0.00 177.00 174.68 1x5i n GLU 29 N 9.13 -0.78 -1.35 4.56 -0.58 -1.26 -4.43 120.64 125.92 1x5i n GLU 29 Ca 0.24 -0.21 -0.49 0.00 -0.42 0.00 0.00 57.16 56.29 1x5i n GLU 29 Cb 0.51 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x5i n VAL 30 N -3.81 1.29 -1.21 2.62 3.14 -1.26 -4.79 118.33 114.30 1x5i n VAL 30 Ca 0.02 -0.32 -0.30 0.00 -2.96 0.00 0.00 64.34 60.78 1x5i n VAL 30 Cb 0.61 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.52 1x5i n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5i s PRO 31 N -0.64 1.43 0.25 1.45 0.04 -1.26 -4.80 135.00 131.46 1x5i s PRO 31 Ca 0.69 0.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 1x5i s PRO 31 Cb -0.98 -1.82 0.46 0.00 0.04 0.00 0.00 34.50 32.20 1x5i s PRO 31 CO 0.53 -2.14 1.62 0.66 0.04 0.00 0.00 177.00 177.71 1x5i h SER 32 N -1.48 -0.44 -1.67 6.66 4.64 -1.71 -3.46 113.55 116.08 1x5i h SER 32 Ca -0.48 0.22 0.23 0.00 -0.47 0.00 0.00 61.79 61.28 1x5i h SER 32 Cb 1.27 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 63.72 1x5i h SER 32 CO 0.54 -0.22 0.61 -1.54 -0.87 0.00 0.00 176.83 175.35 1x5i n SER 33 N -5.40 -0.94 -3.45 4.97 3.41 -1.26 -5.10 113.62 105.85 1x5i n SER 33 Ca 0.15 -1.27 -0.10 0.00 -0.26 0.00 0.00 58.87 57.39 1x5i n SER 33 Cb 0.50 1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 65.84 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x5i s LEU 34 N 0.00 -0.59 0.02 1.04 2.96 -1.26 -3.59 118.68 117.26 1x5i s LEU 34 Ca 0.21 0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1x5i s LEU 34 Cb -0.01 1.11 -0.05 0.00 0.50 0.00 0.00 46.19 47.75 1x5i s LEU 34 CO 0.00 -0.28 0.25 -2.28 -1.32 0.00 0.00 176.35 172.72 1x5i s HIS 35 N 2.54 3.55 -0.01 5.38 5.65 -0.11 -4.93 115.29 127.37 1x5i s HIS 35 Ca 0.08 0.48 0.01 0.00 0.25 0.00 0.00 55.06 55.88 1x5i s HIS 35 Cb -0.14 -1.92 0.01 0.00 -1.18 0.00 0.00 32.58 29.34 1x5i s HIS 35 CO -0.14 0.60 -0.03 0.14 -0.65 0.00 0.00 174.74 174.66 1x5i s VAL 36 N -1.36 0.29 -0.27 0.89 -7.23 -1.26 -1.32 120.40 110.14 1x5i s VAL 36 Ca 0.29 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1x5i s VAL 36 Cb -0.13 -0.29 0.05 0.00 0.56 0.00 0.00 36.38 36.57 1x5i s VAL 36 CO 0.19 0.12 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.43 1x5i s ARG 37 N 0.31 2.34 -0.06 4.82 3.00 0.84 -4.91 118.95 125.30 1x5i s ARG 37 Ca -0.03 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.73 53.10 1x5i s ARG 37 Cb -0.06 -3.00 -0.05 0.00 0.00 0.00 0.00 34.95 31.84 1x5i s ARG 37 CO -0.01 -0.58 1.49 -1.25 0.00 0.00 0.00 175.30 174.96 1x5i s PRO 38 N 1.17 4.22 0.19 5.12 0.04 -1.26 -0.89 135.00 143.59 1x5i s PRO 38 Ca -0.07 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1x5i s PRO 38 Cb -0.20 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1x5i s PRO 38 CO -0.04 -0.73 -0.09 -0.51 0.04 0.00 0.00 177.00 175.67 1x5i s LEU 39 N 3.36 2.98 0.00 -3.56 1.02 0.13 -4.50 118.68 118.11 1x5i s LEU 39 Ca 0.66 -0.59 -0.01 0.00 0.02 0.00 0.00 54.13 54.22 1x5i s LEU 39 Cb -0.30 -1.65 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 1x5i s LEU 39 CO 0.25 0.09 0.39 0.52 0.02 0.00 0.00 176.35 177.63 1x5i n VAL 40 N -0.04 -0.02 0.04 -1.59 0.31 -1.26 -2.38 118.33 113.39 1x5i n VAL 40 Ca -0.10 0.59 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 1x5i n VAL 40 Cb 0.56 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1x5i n VAL 40 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x5i n THR 41 N -2.52 0.04 -4.62 2.52 -2.24 -1.26 -3.94 114.28 102.26 1x5i n THR 41 Ca 0.00 -0.52 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 1x5i n THR 41 Cb 0.01 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 1x5i n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5i n SER 42 N 0.03 3.10 -3.15 3.42 3.41 -1.00 -2.47 113.62 116.96 1x5i n SER 42 Ca 0.01 -2.83 0.04 0.00 -0.26 0.00 0.00 58.87 55.83 1x5i n SER 42 Cb 0.03 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x5i s ILE 43 N -2.51 -1.00 -0.28 -1.33 1.01 -0.51 0.18 121.20 116.77 1x5i s ILE 43 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1x5i s ILE 43 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1x5i s ILE 43 CO 0.00 -0.00 1.52 -0.69 0.00 0.00 0.00 174.94 175.77 1x5i s VAL 44 N 2.84 3.83 -0.46 2.92 1.01 -0.07 -2.31 120.40 128.17 1x5i s VAL 44 Ca 0.15 0.92 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 1x5i s VAL 44 Cb -0.13 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.48 1x5i s VAL 44 CO -0.23 -0.41 0.32 -0.69 0.00 0.00 0.00 175.10 174.08 1x5i s VAL 45 N 5.14 4.14 -0.18 2.92 1.01 0.75 -0.11 120.40 134.08 1x5i s VAL 45 Ca 0.67 -1.74 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 1x5i s VAL 45 Cb -0.21 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1x5i s VAL 45 CO 0.28 -0.72 0.01 -0.55 0.00 0.00 0.00 175.10 174.12 1x5i s SER 46 N 2.52 5.14 0.45 3.32 0.15 -0.43 0.21 113.70 125.06 1x5i s SER 46 Ca 0.05 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.67 1x5i s SER 46 Cb -0.25 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 1x5i s SER 46 CO -0.01 0.14 0.08 -1.66 1.20 0.00 0.00 173.24 173.00 1x5i s TRP 47 N 0.54 1.83 0.03 3.44 -2.14 -0.98 -0.94 118.94 120.72 1x5i s TRP 47 Ca 0.00 -1.15 -0.03 0.00 2.66 0.00 0.00 56.10 57.57 1x5i s TRP 47 Cb -0.14 -1.34 -0.02 0.00 -3.10 0.00 0.00 33.47 28.88 1x5i s TRP 47 CO 0.02 -0.09 0.04 0.95 -2.66 0.00 0.00 176.95 175.21 1x5i s THR 48 N -3.08 0.13 0.78 0.66 -4.23 -1.24 -4.81 115.64 103.86 1x5i s THR 48 Ca 0.17 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 1x5i s THR 48 Cb 0.02 -0.71 0.06 0.00 1.34 0.00 0.00 72.50 73.21 1x5i s THR 48 CO 0.10 -0.59 1.09 -2.16 -0.54 0.00 0.00 174.62 172.52 1x5i s PRO 49 N -2.24 2.21 0.18 3.99 0.04 -1.26 -4.12 135.00 133.80 1x5i s PRO 49 Ca -0.08 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1x5i s PRO 49 Cb -0.04 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1x5i s PRO 49 CO -0.03 -1.67 1.32 -1.25 0.04 0.00 0.00 177.00 175.40 1x5i s PRO 50 N -4.91 4.38 0.35 0.56 0.04 -1.26 -3.79 135.00 130.38 1x5i s PRO 50 Ca 0.61 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.90 1x5i s PRO 50 Cb -0.17 -3.21 1.27 0.00 0.04 0.00 0.00 34.50 32.43 1x5i s PRO 50 CO 0.56 -0.29 1.47 0.39 0.04 0.00 0.00 177.00 179.17 1x5i n GLU 51 N 2.94 -0.05 -1.32 4.56 1.02 -1.26 -1.73 120.64 124.80 1x5i n GLU 51 Ca 0.07 1.27 -0.38 0.00 -0.02 0.00 0.00 57.16 58.10 1x5i n GLU 51 Cb 0.43 -2.30 -0.02 0.00 -0.02 0.00 0.00 31.44 29.52 1x5i n GLU 51 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x5i n ASN 52 N -5.03 7.06 -0.39 1.62 2.85 -1.26 -4.69 115.26 115.42 1x5i n ASN 52 Ca 0.36 -2.60 0.39 0.00 -0.11 0.00 0.00 54.58 52.61 1x5i n ASN 52 Cb 1.23 -1.50 0.74 0.00 1.24 0.00 0.00 39.78 41.49 1x5i n ASN 52 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1x5i h GLN 53 N 5.48 0.00 -1.13 1.20 -0.00 -1.72 0.20 115.11 119.14 1x5i h GLN 53 Ca 0.75 0.00 0.33 0.00 -0.00 0.00 0.00 58.65 59.73 1x5i h GLN 53 Cb 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 27.72 1x5i h GLN 53 CO 1.77 0.00 0.72 -0.91 0.00 0.00 0.00 178.83 180.42 1x5i h ASN 54 N 0.00 0.38 -2.93 -0.69 2.35 -1.87 -3.38 115.58 109.44 1x5i h ASN 54 Ca 0.63 0.11 -0.56 0.00 -0.55 0.00 0.00 56.30 55.93 1x5i h ASN 54 Cb 2.66 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 41.06 1x5i h ASN 54 CO -0.01 -0.02 0.86 -0.63 -1.65 0.00 0.00 177.43 175.99 1x5i s ILE 55 N -5.43 4.17 0.56 2.81 1.01 0.71 -2.52 121.20 122.52 1x5i s ILE 55 Ca -0.08 1.45 -0.21 0.00 0.00 0.00 0.00 60.65 61.81 1x5i s ILE 55 Cb 0.27 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1x5i s ILE 55 CO 0.80 -0.09 1.36 0.52 0.00 0.00 0.00 174.94 177.53 1x5i n VAL 56 N 5.14 4.00 -3.71 2.92 0.31 -1.25 -4.93 118.33 120.82 1x5i n VAL 56 Ca 0.13 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.70 1x5i n VAL 56 Cb 0.45 -1.65 -0.17 0.00 -0.91 0.00 0.00 33.84 31.56 1x5i n VAL 56 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x5i s VAL 57 N -1.30 0.32 0.02 2.52 1.01 -1.26 -4.54 120.40 117.16 1x5i s VAL 57 Ca 0.73 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1x5i s VAL 57 Cb -0.41 -0.80 -0.28 0.00 0.00 0.00 0.00 36.38 34.89 1x5i s VAL 57 CO 0.48 -0.14 1.06 0.03 0.00 0.00 0.00 175.10 176.53 1x5i h ARG 58 N 8.31 0.49 0.00 2.72 2.47 -1.90 -3.43 114.38 123.04 1x5i h ARG 58 Ca -0.16 -0.65 0.00 0.00 -1.26 0.00 0.00 59.98 57.91 1x5i h ARG 58 Cb 1.13 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1x5i h ARG 58 CO 0.31 1.27 0.00 0.41 0.56 0.00 0.00 179.97 182.51 1x5i n GLY 59 N 1.35 -1.17 3.50 0.04 0.00 -1.19 -3.14 105.19 104.58 1x5i n GLY 59 Ca -0.13 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1x5i n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5i s TYR 60 N -2.30 1.92 -0.18 1.61 1.51 -1.15 -1.93 117.35 116.83 1x5i s TYR 60 Ca 0.00 -1.05 -0.02 0.00 -1.01 0.00 0.00 57.07 54.99 1x5i s TYR 60 Cb 0.00 -1.29 0.05 0.00 -0.11 0.00 0.00 41.96 40.61 1x5i s TYR 60 CO 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 175.55 174.39 1x5i s ALA 61 N -3.21 1.21 -0.23 3.71 0.00 -1.00 -2.85 121.76 119.37 1x5i s ALA 61 Ca 0.30 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1x5i s ALA 61 Cb 0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1x5i s ALA 61 CO 0.14 -1.03 0.32 0.42 0.00 0.00 0.00 175.76 175.61 1x5i s ILE 62 N 1.76 5.24 -0.12 0.00 1.01 0.34 -3.18 121.20 126.25 1x5i s ILE 62 Ca -0.01 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1x5i s ILE 62 Cb -0.17 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1x5i s ILE 62 CO -0.07 0.25 -0.22 -0.83 0.00 0.00 0.00 174.94 174.07 1x5i s GLY 63 N 1.25 1.29 0.27 6.18 0.00 -1.02 0.54 107.32 115.83 1x5i s GLY 63 Ca 0.14 -0.97 0.11 0.00 0.00 0.00 0.00 44.72 44.00 1x5i s GLY 63 CO 0.08 -0.14 -0.18 -2.52 0.00 0.00 0.00 173.10 170.34 1x5i s TYR 64 N 0.60 2.20 0.00 1.90 1.13 -1.16 -1.53 117.35 120.50 1x5i s TYR 64 Ca -0.13 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.14 1x5i s TYR 64 Cb -0.17 -1.00 0.00 0.00 -1.10 0.00 0.00 41.96 39.69 1x5i s TYR 64 CO 0.03 0.64 0.00 0.41 -2.51 0.00 0.00 175.55 174.12 1x5i n GLY 65 N -0.60 2.26 3.68 5.49 0.00 -1.21 -2.39 105.19 112.42 1x5i n GLY 65 Ca -0.05 0.32 -0.57 0.00 0.00 0.00 0.00 46.02 45.72 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N 0.00 0.23 0.00 -0.61 5.41 -1.26 -1.22 119.36 121.91 1x5i n ILE 66 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1x5i n ILE 66 Cb 0.00 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5i n GLY 67 N 3.78 1.24 2.80 7.39 0.00 -1.26 -4.83 105.19 114.32 1x5i n GLY 67 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 68 N 0.00 0.23 0.00 1.61 0.01 -0.36 -4.94 113.70 110.26 1x5i s SER 68 Ca 0.00 0.00 0.15 0.00 1.31 0.00 0.00 55.95 57.42 1x5i s SER 68 Cb 0.00 -0.14 0.91 0.00 0.21 0.00 0.00 66.02 67.00 1x5i s SER 68 CO 0.00 -0.11 1.32 -0.81 0.41 0.00 0.00 173.24 174.06 1x5i n PRO 69 N 4.09 0.49 -1.03 12.44 -0.04 -1.22 -3.53 135.00 146.20 1x5i n PRO 69 Ca -0.27 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.06 1x5i n PRO 69 Cb 0.51 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1x5i n PRO 69 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1x5i n HIS 70 N -0.99 0.24 -0.00 0.54 1.44 -1.26 -3.69 115.22 111.50 1x5i n HIS 70 Ca 0.11 -1.53 -0.04 0.00 -2.01 0.00 0.00 57.72 54.26 1x5i n HIS 70 Cb 0.05 -1.48 -0.01 0.00 0.12 0.00 0.00 29.99 28.67 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x5i n ALA 71 N 2.17 2.60 -2.19 1.59 0.00 -1.20 -5.04 120.51 118.44 1x5i n ALA 71 Ca 0.40 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 1x5i n ALA 71 Cb 0.83 0.31 -0.10 0.00 0.00 0.00 0.00 19.45 20.50 1x5i n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x5i s GLN 72 N -2.15 1.06 -0.03 0.00 -0.21 -1.01 -5.02 119.66 112.31 1x5i s GLN 72 Ca -0.07 -1.53 -0.02 0.00 0.02 0.00 0.00 55.36 53.76 1x5i s GLN 72 Cb 0.02 0.16 0.02 0.00 1.00 0.00 0.00 33.01 34.20 1x5i s GLN 72 CO 0.09 -0.29 0.08 0.99 -2.12 0.00 0.00 175.29 174.05 1x5i s THR 73 N -4.02 -0.02 -0.19 -0.19 2.01 -1.26 -2.98 115.64 109.00 1x5i s THR 73 Ca 0.30 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1x5i s THR 73 Cb 0.07 -0.13 0.04 0.00 0.01 0.00 0.00 72.50 72.49 1x5i s THR 73 CO 0.06 0.03 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.30 1x5i s ILE 74 N 0.43 1.46 -0.32 1.82 1.01 0.19 -4.93 121.20 120.87 1x5i s ILE 74 Ca -0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 1x5i s ILE 74 Cb -0.05 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1x5i s ILE 74 CO -0.02 0.16 0.20 -0.54 0.00 0.00 0.00 174.94 174.74 1x5i s LYS 75 N 1.48 3.57 0.38 2.79 -0.14 -1.26 -0.50 119.74 126.05 1x5i s LYS 75 Ca -0.01 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.10 1x5i s LYS 75 Cb -0.16 -3.70 -0.07 0.00 -1.68 0.00 0.00 37.83 32.23 1x5i s LYS 75 CO -0.08 -0.37 -0.00 0.14 -0.76 0.00 0.00 175.35 174.28 1x5i s VAL 76 N 1.70 2.18 0.76 3.17 -7.23 -1.13 -5.00 120.40 114.85 1x5i s VAL 76 Ca 0.06 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 1x5i s VAL 76 Cb -0.17 -2.87 0.05 0.00 0.56 0.00 0.00 36.38 33.95 1x5i s VAL 76 CO 0.09 -0.08 1.12 -1.81 -0.31 0.00 0.00 175.10 174.10 1x5i s ASP 77 N -3.70 4.87 0.17 4.85 1.01 -1.26 -2.94 116.67 119.67 1x5i s ASP 77 Ca 0.35 1.10 -0.14 0.00 0.71 0.00 0.00 52.55 54.57 1x5i s ASP 77 Cb 0.06 -1.81 0.09 0.00 1.01 0.00 0.00 42.92 42.27 1x5i s ASP 77 CO 0.18 -1.70 1.79 0.10 0.21 0.00 0.00 175.17 175.75 1x5i h TYR 78 N -0.91 0.44 -0.85 4.23 -0.00 -1.82 -2.46 116.97 115.60 1x5i h TYR 78 Ca -0.46 0.02 0.21 0.00 -0.00 0.00 0.00 58.73 58.49 1x5i h TYR 78 Cb 1.28 -0.13 -0.15 0.00 -0.00 0.00 0.00 36.73 37.73 1x5i h TYR 78 CO 0.44 0.23 0.02 0.87 -0.00 0.00 0.00 178.16 179.72 1x5i h LYS 79 N 0.47 0.08 -6.04 0.10 1.57 -1.93 -3.38 116.57 107.44 1x5i h LYS 79 Ca 0.19 -0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.32 1x5i h LYS 79 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1x5i h LYS 79 CO -0.13 0.05 1.36 1.04 -0.57 0.00 0.00 179.45 181.20 1x5i n GLN 80 N -5.39 1.43 0.13 3.15 1.13 -0.93 -4.83 117.38 112.08 1x5i n GLN 80 Ca 0.17 0.43 -0.24 0.00 -1.94 0.00 0.00 57.00 55.42 1x5i n GLN 80 Cb 0.57 -2.63 -0.16 0.00 0.11 0.00 0.00 30.24 28.14 1x5i n GLN 80 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1x5i h ARG 81 N 12.15 0.50 -4.50 -1.09 1.12 -1.87 -3.47 114.38 117.21 1x5i h ARG 81 Ca -0.34 -0.85 -0.31 0.00 -1.11 0.00 0.00 59.98 57.37 1x5i h ARG 81 Cb 1.30 0.32 -0.12 0.00 -0.01 0.00 0.00 29.97 31.45 1x5i h ARG 81 CO 0.99 1.40 -0.42 1.52 -3.11 0.00 0.00 179.97 180.36 1x5i s TYR 82 N -2.60 1.27 -0.02 2.20 1.13 -1.26 -2.32 117.35 115.75 1x5i s TYR 82 Ca -0.09 -1.40 0.00 0.00 -1.41 0.00 0.00 57.07 54.17 1x5i s TYR 82 Cb 0.05 -0.43 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1x5i s TYR 82 CO 0.93 -0.88 0.02 -0.47 -2.51 0.00 0.00 175.55 172.64 1x5i s TYR 83 N -3.62 0.11 -0.75 -3.49 6.14 0.13 -4.95 117.35 110.91 1x5i s TYR 83 Ca 0.36 0.07 -0.15 0.00 0.64 0.00 0.00 57.07 57.99 1x5i s TYR 83 Cb 0.03 -0.25 0.18 0.00 0.42 0.00 0.00 41.96 42.33 1x5i s TYR 83 CO 0.19 -0.09 0.74 0.99 0.64 0.00 0.00 175.55 178.03 1x5i s THR 84 N 0.89 5.36 -0.25 4.34 2.01 -1.26 -0.17 115.64 126.55 1x5i s THR 84 Ca -0.08 -2.03 -0.29 0.00 0.31 0.00 0.00 61.69 59.60 1x5i s THR 84 Cb -0.11 -4.48 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1x5i s THR 84 CO -0.02 -1.06 1.51 -0.63 -0.69 0.00 0.00 174.62 173.73 1x5i s ILE 85 N 0.98 3.85 0.45 1.82 1.01 -0.98 -4.85 121.20 123.48 1x5i s ILE 85 Ca 0.16 0.95 0.06 0.00 0.00 0.00 0.00 60.65 61.83 1x5i s ILE 85 Cb -0.15 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1x5i s ILE 85 CO -0.05 -0.36 0.24 -1.61 0.00 0.00 0.00 174.94 173.16 1x5i s GLU 86 N 4.50 2.27 -0.61 2.79 2.02 -1.26 -1.42 118.70 126.99 1x5i s GLU 86 Ca 0.66 -1.89 -0.01 0.00 0.02 0.00 0.00 54.97 53.75 1x5i s GLU 86 Cb -0.22 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1x5i s GLU 86 CO 0.27 -0.25 0.52 0.09 0.02 0.00 0.00 175.26 175.91 1x5i n ASN 87 N -1.39 -2.34 -4.67 -0.19 3.02 -1.24 -5.01 115.26 103.45 1x5i n ASN 87 Ca -0.02 -0.30 -0.27 0.00 -0.03 0.00 0.00 54.58 53.95 1x5i n ASN 87 Cb 0.64 -2.81 -0.10 0.00 -0.61 0.00 0.00 39.78 36.90 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5i s LEU 88 N -4.18 2.92 -0.27 3.41 1.43 -1.03 -5.10 118.68 115.85 1x5i s LEU 88 Ca 0.04 -1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 51.70 1x5i s LEU 88 Cb -0.02 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1x5i s LEU 88 CO 0.37 -0.51 0.38 -1.81 0.23 0.00 0.00 176.35 175.01 1x5i s ASP 89 N -3.79 6.26 0.61 2.29 1.01 -1.26 -4.79 116.67 117.00 1x5i s ASP 89 Ca 0.35 0.29 -0.17 0.00 0.71 0.00 0.00 52.55 53.74 1x5i s ASP 89 Cb 0.07 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1x5i s ASP 89 CO 0.19 -0.19 1.12 -2.16 0.21 0.00 0.00 175.17 174.34 1x5i s PRO 90 N 2.08 3.03 -0.64 8.23 0.04 -1.25 -3.97 135.00 142.51 1x5i s PRO 90 Ca 0.15 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1x5i s PRO 90 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1x5i s PRO 90 CO 0.10 -1.08 0.54 0.45 0.04 0.00 0.00 177.00 177.05 1x5i n SER 91 N -1.95 -2.64 -3.61 6.66 2.88 -1.20 -4.90 113.62 108.86 1x5i n SER 91 Ca 0.11 -0.31 -0.16 0.00 -1.33 0.00 0.00 58.87 57.18 1x5i n SER 91 Cb 0.52 -2.88 -0.07 0.00 -0.75 0.00 0.00 64.21 61.02 1x5i n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5i s SER 92 N -3.56 -0.58 0.15 -3.46 0.15 -1.25 -4.97 113.70 100.18 1x5i s SER 92 Ca 0.08 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 1x5i s SER 92 Cb -0.04 0.77 -0.07 0.00 -1.71 0.00 0.00 66.02 64.97 1x5i s SER 92 CO 0.38 -0.44 0.97 -2.28 1.20 0.00 0.00 173.24 173.07 1x5i s HIS 93 N -0.66 3.84 -0.13 3.44 5.65 -1.26 -2.18 115.29 123.98 1x5i s HIS 93 Ca -0.07 1.81 -0.01 0.00 0.25 0.00 0.00 55.06 57.04 1x5i s HIS 93 Cb -0.02 -3.06 0.03 0.00 -1.18 0.00 0.00 32.58 28.35 1x5i s HIS 93 CO 0.06 0.20 -0.06 0.71 -0.65 0.00 0.00 174.74 175.00 1x5i s TYR 94 N -0.33 1.48 -0.35 3.88 1.51 -0.18 -4.34 117.35 119.03 1x5i s TYR 94 Ca 0.46 -0.81 -0.23 0.00 -1.01 0.00 0.00 57.07 55.48 1x5i s TYR 94 Cb -0.25 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1x5i s TYR 94 CO 0.31 -0.54 0.76 0.08 -1.11 0.00 0.00 175.55 175.05 1x5i s VAL 95 N 1.71 4.77 -0.10 0.71 1.01 -1.25 -2.01 120.40 125.25 1x5i s VAL 95 Ca 0.03 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1x5i s VAL 95 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1x5i s VAL 95 CO -0.08 -0.36 0.07 -0.63 0.00 0.00 0.00 175.10 174.10 1x5i s ILE 96 N 3.00 4.89 0.15 2.22 1.09 -1.21 -3.34 121.20 128.00 1x5i s ILE 96 Ca 0.31 -0.04 0.07 0.00 -1.10 0.00 0.00 60.65 59.88 1x5i s ILE 96 Cb -0.14 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 1x5i s ILE 96 CO 0.15 0.60 -0.15 0.42 -0.10 0.00 0.00 174.94 175.86 1x5i s THR 97 N -0.97 1.55 -0.09 2.92 -4.23 -0.58 -1.75 115.64 112.49 1x5i s THR 97 Ca 0.15 -1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1x5i s THR 97 Cb -0.12 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 72.04 1x5i s THR 97 CO 0.04 -0.42 0.20 -0.22 -0.54 0.00 0.00 174.62 173.67 1x5i s LEU 98 N -2.68 0.55 -0.04 4.79 2.96 -1.20 -2.44 118.68 120.62 1x5i s LEU 98 Ca 0.13 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1x5i s LEU 98 Cb -0.04 0.55 0.02 0.00 0.50 0.00 0.00 46.19 47.22 1x5i s LEU 98 CO 0.05 -0.16 -0.05 -1.59 -1.32 0.00 0.00 176.35 173.28 1x5i s LYS 99 N 1.23 0.87 -0.21 1.98 -2.85 -1.19 0.04 119.74 119.60 1x5i s LYS 99 Ca -0.09 -0.14 -0.25 0.00 -1.00 0.00 0.00 55.97 54.49 1x5i s LYS 99 Cb -0.11 -0.85 -0.01 0.00 -2.06 0.00 0.00 37.83 34.80 1x5i s LYS 99 CO -0.07 -0.05 0.83 0.00 0.10 0.00 0.00 175.35 176.15 1x5i s ALA 100 N 0.81 3.60 0.30 0.59 0.00 -1.26 -2.38 121.76 123.42 1x5i s ALA 100 Ca -0.11 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.86 1x5i s ALA 100 Cb -0.14 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1x5i s ALA 100 CO 0.01 -0.82 -0.07 -0.59 0.00 0.00 0.00 175.76 174.28 1x5i s PHE 101 N 2.58 2.12 0.26 0.00 -0.12 -0.81 0.29 117.98 122.29 1x5i s PHE 101 Ca 0.36 -0.62 -0.04 0.00 -0.05 0.00 0.00 56.93 56.58 1x5i s PHE 101 Cb -0.16 -1.20 0.02 0.00 -0.63 0.00 0.00 43.02 41.05 1x5i s PHE 101 CO 0.09 0.40 0.41 0.27 -0.05 0.00 0.00 175.22 176.34 1x5i n ASN 102 N -0.66 -1.17 -0.11 1.98 6.94 0.86 -3.01 115.26 120.09 1x5i n ASN 102 Ca -0.05 -2.29 0.18 0.00 -0.02 0.00 0.00 54.58 52.41 1x5i n ASN 102 Cb 0.63 2.09 0.59 0.00 -2.36 0.00 0.00 39.78 40.73 1x5i n ASN 102 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1x5i h ASN 103 N 1.41 0.21 -0.01 0.53 -0.73 -1.92 -1.82 115.58 113.25 1x5i h ASN 103 Ca -0.21 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 1x5i h ASN 103 Cb 0.86 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.42 1x5i h ASN 103 CO 0.27 0.11 -0.03 0.58 -0.37 0.00 0.00 177.43 177.99 1x5i h VAL 104 N 0.23 1.49 0.00 2.57 2.07 -1.92 -3.50 116.25 117.19 1x5i h VAL 104 Ca 0.34 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1x5i h VAL 104 Cb 0.99 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1x5i h VAL 104 CO -0.07 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1x5i n GLY 105 N 0.60 -1.50 3.92 2.17 0.00 -0.68 -5.01 105.19 104.69 1x5i n GLY 105 Ca -0.09 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 1x5i n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5i s GLU 106 N -1.62 2.72 0.00 1.61 8.01 -1.26 -0.10 118.70 128.06 1x5i s GLU 106 Ca 0.00 -0.12 0.00 0.00 0.01 0.00 0.00 54.97 54.86 1x5i s GLU 106 Cb 0.00 -2.26 0.00 0.00 -4.31 0.00 0.00 34.13 27.56 1x5i s GLU 106 CO 0.00 -0.83 0.00 0.41 0.01 0.00 0.00 175.26 174.85 1x5i n GLY 107 N -2.64 5.74 3.67 -1.39 0.00 0.14 -4.85 105.19 105.85 1x5i n GLY 107 Ca 0.05 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 108 N 1.49 5.03 0.96 -0.61 -1.09 -1.26 -4.73 121.20 120.98 1x5i s ILE 108 Ca 0.00 1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 59.49 1x5i s ILE 108 Cb 0.00 -3.94 0.16 0.00 -1.58 0.00 0.00 42.46 37.10 1x5i s ILE 108 CO 0.00 0.13 1.09 -2.16 -1.23 0.00 0.00 174.94 172.78 1x5i s PRO 109 N 1.75 0.77 0.22 2.79 0.04 -1.26 -4.27 135.00 135.04 1x5i s PRO 109 Ca 0.29 0.64 0.11 0.00 0.04 0.00 0.00 61.00 62.08 1x5i s PRO 109 Cb -0.16 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1x5i s PRO 109 CO 0.11 -2.53 -0.20 -0.51 0.04 0.00 0.00 177.00 173.91 1x5i s LEU 110 N -6.36 2.60 -0.16 -3.56 1.43 0.11 -4.86 118.68 107.87 1x5i s LEU 110 Ca 0.65 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1x5i s LEU 110 Cb -0.18 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 1x5i s LEU 110 CO 0.57 0.09 -0.14 -0.31 0.23 0.00 0.00 176.35 176.79 1x5i s TYR 111 N -1.99 2.81 0.30 0.29 1.51 -1.26 -3.26 117.35 115.75 1x5i s TYR 111 Ca 0.25 -0.99 0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1x5i s TYR 111 Cb -0.07 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1x5i s TYR 111 CO 0.13 -0.46 0.19 -1.21 -1.11 0.00 0.00 175.55 173.08 1x5i s GLU 112 N 0.86 1.60 -0.02 -0.62 0.41 -0.72 -5.03 118.70 115.18 1x5i s GLU 112 Ca -0.04 -1.91 -0.03 0.00 -0.41 0.00 0.00 54.97 52.58 1x5i s GLU 112 Cb -0.15 0.05 0.00 0.00 -1.78 0.00 0.00 34.13 32.25 1x5i s GLU 112 CO -0.00 -0.50 0.07 -1.12 -0.49 0.00 0.00 175.26 173.21 1x5i s SER 113 N -3.35 -0.03 -0.24 -0.19 0.01 -1.26 -3.34 113.70 105.29 1x5i s SER 113 Ca 0.37 0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 1x5i s SER 113 Cb 0.04 0.15 0.13 0.00 0.21 0.00 0.00 66.02 66.56 1x5i s SER 113 CO 0.19 -0.09 0.43 0.00 0.41 0.00 0.00 173.24 174.18 1x5i s ALA 114 N -0.29 -1.31 -0.36 1.44 0.00 -0.85 -4.85 121.76 115.54 1x5i s ALA 114 Ca -0.03 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 1x5i s ALA 114 Cb -0.02 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 1x5i s ALA 114 CO 0.00 -1.17 0.37 0.08 0.00 0.00 0.00 175.76 175.04 1x5i s VAL 115 N 2.62 5.16 0.46 0.00 1.01 -1.26 -1.01 120.40 127.38 1x5i s VAL 115 Ca 0.11 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1x5i s VAL 115 Cb -0.15 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1x5i s VAL 115 CO -0.16 -0.15 1.27 0.35 0.00 0.00 0.00 175.10 176.42 1x5i n THR 116 N 5.26 2.89 -1.65 3.92 -2.24 -0.93 -4.71 114.28 116.83 1x5i n THR 116 Ca -0.09 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1x5i n THR 116 Cb 0.49 -1.57 0.05 0.00 -2.10 0.00 0.00 70.33 67.20 1x5i n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5i s ARG 117 N -2.39 2.75 -0.72 -0.78 0.52 -1.26 -3.45 118.95 113.62 1x5i s ARG 117 Ca 0.64 1.24 -0.26 0.00 -0.52 0.00 0.00 55.73 56.84 1x5i s ARG 117 Cb -0.48 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 1x5i s ARG 117 CO 0.56 -1.27 1.89 -1.25 0.02 0.00 0.00 175.30 175.25 1x5i s PRO 118 N -4.43 2.60 -0.25 3.54 0.04 -1.26 -3.28 135.00 131.96 1x5i s PRO 118 Ca 0.64 0.26 -0.43 0.00 0.04 0.00 0.00 61.00 61.51 1x5i s PRO 118 Cb -0.18 -4.65 -0.20 0.00 0.04 0.00 0.00 34.50 29.52 1x5i s PRO 118 CO 0.46 -2.98 1.32 1.58 0.04 0.00 0.00 177.00 177.43 1x5i n HIS 119 N 13.21 1.20 -3.09 0.56 -0.00 -1.26 -4.88 115.22 120.96 1x5i n HIS 119 Ca 0.28 1.09 -0.39 0.00 0.46 0.00 0.00 57.72 59.15 1x5i n HIS 119 Cb 0.50 -2.13 -0.05 0.00 -0.12 0.00 0.00 29.99 28.19 1x5i n HIS 119 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1x5i s THR 120 N 1.53 4.89 -0.23 3.57 -4.23 -1.26 -4.98 115.64 114.92 1x5i s THR 120 Ca 0.97 1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 62.71 1x5i s THR 120 Cb -1.37 -4.02 -0.17 0.00 1.34 0.00 0.00 72.50 68.28 1x5i s THR 120 CO 0.69 0.35 0.06 -1.54 -0.54 0.00 0.00 174.62 173.64 1x5i n SER 121 N 3.05 1.89 0.00 3.99 3.41 -1.26 -5.11 113.62 119.59 1x5i n SER 121 Ca -0.04 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1x5i n SER 121 Cb 0.51 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1x5i n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5i n GLY 122 N 1.39 -2.44 3.64 5.00 0.00 -1.26 -5.16 105.19 106.37 1x5i n GLY 122 Ca -0.38 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1x5i n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 123 N -1.99 -0.24 -0.06 1.61 0.04 -1.26 -5.03 135.00 128.06 1x5i s PRO 123 Ca 0.00 0.28 -0.14 0.00 0.04 0.00 0.00 61.00 61.18 1x5i s PRO 123 Cb 0.00 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1x5i s PRO 123 CO 0.00 -3.13 0.36 -1.54 0.04 0.00 0.00 177.00 172.73 1x5i s SER 124 N -3.62 6.67 0.23 6.66 1.04 -1.26 -5.09 113.70 118.33 1x5i s SER 124 Ca 0.67 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.92 1x5i s SER 124 Cb -0.15 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 1x5i s SER 124 CO 0.57 0.26 0.04 -0.94 0.98 0.00 0.00 173.24 174.15 1x5i s SER 125 N -0.59 1.41 0.00 7.02 1.04 -1.26 -5.34 113.70 115.98 1x5i s SER 125 Ca 0.21 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1x5i s SER 125 Cb -0.15 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1x5i s SER 125 CO 0.10 -0.62 0.43 0.61 0.98 0.00 0.00 173.24 174.74