#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 0.50 0.24 1.61 1.04 -1.26 -5.19 113.70 110.64 1x5i s SER 2 Ca 0.00 -1.29 -0.06 0.00 0.48 0.00 0.00 55.95 55.07 1x5i s SER 2 Cb 0.00 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1x5i s SER 2 CO 0.00 -1.23 0.32 -0.44 0.98 0.00 0.00 173.24 172.87 1x5i s SER 3 N -3.16 0.14 0.00 7.02 0.01 -1.26 -5.18 113.70 111.28 1x5i s SER 3 Ca 0.28 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1x5i s SER 3 Cb -0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1x5i s SER 3 CO 0.16 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1x5i n GLY 4 N -0.36 2.91 3.82 3.44 0.00 -1.26 -5.19 105.19 108.55 1x5i n GLY 4 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 1x5i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5i s SER 5 N 1.32 -0.07 0.26 1.61 1.04 -1.26 -5.19 113.70 111.41 1x5i s SER 5 Ca 0.00 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.86 1x5i s SER 5 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1x5i s SER 5 CO 0.00 -0.99 0.12 -0.44 0.98 0.00 0.00 173.24 172.91 1x5i s SER 6 N -3.18 1.12 0.00 7.02 0.01 -1.26 -5.13 113.70 112.29 1x5i s SER 6 Ca 0.17 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1x5i s SER 6 Cb -0.02 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1x5i s SER 6 CO 0.04 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1x5i n GLY 7 N -0.47 1.36 1.68 3.44 0.00 -1.26 -5.17 105.19 104.77 1x5i n GLY 7 Ca 0.01 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.06 -2.80 1.61 -0.04 -1.26 -4.92 135.00 125.53 1x5i n PRO 8 Ca 0.00 -0.84 -0.43 0.00 -0.04 0.00 0.00 63.50 62.19 1x5i n PRO 8 Cb 0.00 -0.79 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 -2.99 3.24 -0.15 0.55 0.00 -1.26 -4.93 121.76 116.22 1x5i s ALA 9 Ca 0.34 -2.69 -0.04 0.00 0.00 0.00 0.00 51.96 49.57 1x5i s ALA 9 Cb -0.03 -4.23 0.07 0.00 0.00 0.00 0.00 23.12 18.92 1x5i s ALA 9 CO 0.26 -3.16 0.14 0.95 0.00 0.00 0.00 175.76 173.95 1x5i s THR 10 N 3.32 -0.19 -0.04 0.00 -4.23 -1.26 -5.00 115.64 108.24 1x5i s THR 10 Ca 0.39 -0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1x5i s THR 10 Cb -0.03 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 1x5i s THR 10 CO -0.08 -0.15 -0.04 -0.67 -0.54 0.00 0.00 174.62 173.15 1x5i n ASP 11 N 5.30 1.80 -4.08 3.99 -0.08 -1.26 -4.96 116.55 117.26 1x5i n ASP 11 Ca -0.06 0.02 -0.33 0.00 -1.51 0.00 0.00 54.79 52.90 1x5i n ASP 11 Cb 0.49 -0.08 -0.14 0.00 2.34 0.00 0.00 41.12 43.73 1x5i n ASP 11 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1x5i s TRP 12 N -2.07 3.58 -0.03 -0.67 0.51 -1.26 -4.99 118.94 114.01 1x5i s TRP 12 Ca -0.05 -2.56 -0.12 0.00 -2.12 0.00 0.00 56.10 51.25 1x5i s TRP 12 Cb 0.02 -2.79 -0.07 0.00 -0.81 0.00 0.00 33.47 29.82 1x5i s TRP 12 CO 0.07 -0.93 0.58 -0.07 -0.51 0.00 0.00 176.95 176.09 1x5i h LEU 13 N 7.83 -0.37 -7.00 2.99 4.07 -2.02 -3.48 115.31 117.34 1x5i h LEU 13 Ca -0.11 0.01 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1x5i h LEU 13 Cb 1.04 0.10 -0.24 0.00 1.08 0.00 0.00 40.66 42.64 1x5i h LEU 13 CO 0.57 -0.02 0.43 -0.44 -1.08 0.00 0.00 178.44 177.90 1x5i s SER 14 N -4.48 -0.47 -0.56 -0.43 0.01 -1.26 -5.11 113.70 101.40 1x5i s SER 14 Ca -0.06 0.71 0.04 0.00 1.31 0.00 0.00 55.95 57.95 1x5i s SER 14 Cb 0.01 0.66 0.16 0.00 0.21 0.00 0.00 66.02 67.06 1x5i s SER 14 CO 0.19 -0.29 0.40 0.00 0.41 0.00 0.00 173.24 173.95 1x5i s ALA 15 N -0.47 2.70 -0.31 1.44 0.00 -1.26 -4.92 121.76 118.94 1x5i s ALA 15 Ca -0.01 -3.16 0.09 0.00 0.00 0.00 0.00 51.96 48.89 1x5i s ALA 15 Cb -0.03 -1.92 0.46 0.00 0.00 0.00 0.00 23.12 21.63 1x5i s ALA 15 CO -0.00 -2.05 1.15 -0.85 0.00 0.00 0.00 175.76 174.01 1x5i n GLU 16 N 2.53 3.21 -3.53 0.00 0.28 -1.26 -5.04 120.64 116.83 1x5i n GLU 16 Ca 0.22 -4.10 -0.10 0.00 -0.16 0.00 0.00 57.16 53.02 1x5i n GLU 16 Cb 0.39 -2.13 -0.02 0.00 1.43 0.00 0.00 31.44 31.11 1x5i n GLU 16 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1x5i s THR 17 N -4.59 0.00 -0.73 3.84 -1.32 -1.26 -5.10 115.64 106.48 1x5i s THR 17 Ca 0.46 -0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.46 1x5i s THR 17 Cb 0.40 -1.23 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1x5i s THR 17 CO -0.01 0.00 1.52 -0.36 -2.21 0.00 0.00 174.62 173.56 1x5i s PHE 18 N -3.70 2.07 0.51 9.09 0.40 -1.26 -4.97 117.98 120.12 1x5i s PHE 18 Ca 0.04 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.35 1x5i s PHE 18 Cb -0.02 -4.42 -0.07 0.00 0.51 0.00 0.00 43.02 39.01 1x5i s PHE 18 CO -0.08 -2.13 1.08 -1.91 0.70 0.00 0.00 175.22 172.88 1x5i n GLU 19 N 9.25 1.30 -1.10 0.44 4.07 -1.26 -4.84 120.64 128.49 1x5i n GLU 19 Ca 0.13 0.48 -0.16 0.00 -0.06 0.00 0.00 57.16 57.56 1x5i n GLU 19 Cb 0.50 -2.22 -0.12 0.00 -0.06 0.00 0.00 31.44 29.54 1x5i n GLU 19 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x5i n SER 20 N -0.27 5.61 -0.09 4.31 2.88 -1.26 -4.05 113.62 120.75 1x5i n SER 20 Ca 0.11 -2.69 -0.18 0.00 -1.33 0.00 0.00 58.87 54.78 1x5i n SER 20 Cb 0.43 -1.34 -0.07 0.00 -0.75 0.00 0.00 64.21 62.48 1x5i n SER 20 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1x5i n ASP 21 N 1.95 1.64 -3.72 -3.46 -0.08 -1.26 -5.01 116.55 106.61 1x5i n ASP 21 Ca 0.42 0.14 -0.24 0.00 -1.51 0.00 0.00 54.79 53.60 1x5i n ASP 21 Cb 0.79 -0.47 0.19 0.00 2.34 0.00 0.00 41.12 43.97 1x5i n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1x5i n LEU 22 N -3.61 -1.39 -4.55 -2.67 4.77 -1.26 -4.78 117.00 103.51 1x5i n LEU 22 Ca -0.35 -0.42 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 1x5i n LEU 22 Cb 0.77 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1x5i n LEU 22 CO 0.06 -3.50 1.42 -0.62 -1.33 0.00 0.00 177.39 173.42 1x5i s ASP 23 N -2.19 5.64 -0.20 -1.43 -1.08 -0.71 -4.77 116.67 111.93 1x5i s ASP 23 Ca 0.48 -0.23 0.12 0.00 -0.52 0.00 0.00 52.55 52.41 1x5i s ASP 23 Cb -0.09 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.24 1x5i s ASP 23 CO 0.47 -2.19 1.21 1.21 0.52 0.00 0.00 175.17 176.40 1x5i n GLU 24 N 9.17 1.61 -0.01 4.34 2.13 -1.26 -1.79 120.64 134.83 1x5i n GLU 24 Ca 0.19 -3.27 0.07 0.00 0.66 0.00 0.00 57.16 54.82 1x5i n GLU 24 Cb 0.50 -1.53 -0.11 0.00 0.27 0.00 0.00 31.44 30.57 1x5i n GLU 24 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1x5i n THR 25 N -0.95 0.00 -4.41 6.31 5.66 -1.26 -4.67 114.28 114.96 1x5i n THR 25 Ca 0.20 -0.31 -0.24 0.00 -3.05 0.00 0.00 64.05 60.65 1x5i n THR 25 Cb 0.75 0.26 -0.13 0.00 -1.55 0.00 0.00 70.33 69.66 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5i s ARG 26 N -2.92 1.17 0.32 1.09 1.70 -1.26 -5.02 118.95 114.03 1x5i s ARG 26 Ca -0.04 -1.02 -0.27 0.00 -0.47 0.00 0.00 55.73 53.93 1x5i s ARG 26 Cb 0.09 -1.33 -0.09 0.00 -0.57 0.00 0.00 34.95 33.05 1x5i s ARG 26 CO 0.59 0.32 1.03 0.14 -1.08 0.00 0.00 175.30 176.30 1x5i s VAL 27 N -1.01 3.79 -0.53 4.99 -7.23 -1.26 -4.84 120.40 114.31 1x5i s VAL 27 Ca 0.05 1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 61.55 1x5i s VAL 27 Cb -0.09 -3.94 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 1x5i s VAL 27 CO 0.03 0.23 1.82 -2.16 -0.31 0.00 0.00 175.10 174.70 1x5i s PRO 28 N -1.86 2.85 1.35 4.82 0.04 -1.26 -4.79 135.00 136.16 1x5i s PRO 28 Ca 0.49 0.82 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 1x5i s PRO 28 Cb -0.25 -4.32 0.34 0.00 0.04 0.00 0.00 34.50 30.30 1x5i s PRO 28 CO 0.32 -2.46 0.85 -0.85 0.04 0.00 0.00 177.00 174.90 1x5i n GLU 29 N 8.94 -3.89 -1.09 4.56 0.28 -1.26 -3.63 120.64 124.55 1x5i n GLU 29 Ca 0.21 -1.14 -0.41 0.00 -0.16 0.00 0.00 57.16 55.66 1x5i n GLU 29 Cb 0.51 -1.96 -0.04 0.00 1.43 0.00 0.00 31.44 31.37 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1x5i n VAL 30 N -5.46 0.67 -1.06 3.84 3.14 -1.24 -4.68 118.33 113.53 1x5i n VAL 30 Ca 0.09 -0.17 -0.30 0.00 -2.96 0.00 0.00 64.34 61.00 1x5i n VAL 30 Cb 0.57 0.00 0.25 0.00 -1.06 0.00 0.00 33.84 33.60 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 -0.33 -1.53 0.18 1.45 0.04 -1.26 -4.93 135.00 128.62 1x5i s PRO 31 Ca 0.59 -0.17 -0.14 0.00 0.04 0.00 0.00 61.00 61.32 1x5i s PRO 31 Cb -0.84 -1.57 0.17 0.00 0.04 0.00 0.00 34.50 32.30 1x5i s PRO 31 CO 0.42 -3.89 1.70 0.77 0.04 0.00 0.00 177.00 176.04 1x5i h SER 32 N -2.71 -0.14 -1.29 6.66 0.02 -1.71 -3.47 113.55 110.91 1x5i h SER 32 Ca -0.43 0.10 0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1x5i h SER 32 Cb 1.29 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 1x5i h SER 32 CO 0.29 -0.04 0.42 -1.54 -1.14 0.00 0.00 176.83 174.83 1x5i n SER 33 N -5.19 -0.69 -3.68 3.07 3.41 -1.26 -5.07 113.62 104.21 1x5i n SER 33 Ca 0.05 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.33 1x5i n SER 33 Cb 0.24 1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 65.18 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 -0.30 -0.06 1.04 2.96 -1.26 -3.55 118.68 117.51 1x5i s LEU 34 Ca 0.14 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 1x5i s LEU 34 Cb -0.01 1.23 -0.03 0.00 0.50 0.00 0.00 46.19 47.89 1x5i s LEU 34 CO 0.01 -0.21 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.43 1x5i s HIS 35 N 1.99 2.78 0.00 5.38 5.65 0.19 -5.00 115.29 126.29 1x5i s HIS 35 Ca -0.05 -0.13 0.02 0.00 0.25 0.00 0.00 55.06 55.15 1x5i s HIS 35 Cb -0.10 -1.67 -0.01 0.00 -1.18 0.00 0.00 32.58 29.62 1x5i s HIS 35 CO -0.12 0.21 -0.06 0.14 -0.65 0.00 0.00 174.74 174.25 1x5i s VAL 36 N -0.68 0.48 -0.25 0.89 -7.23 -1.26 0.16 120.40 112.52 1x5i s VAL 36 Ca 0.10 -0.37 0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1x5i s VAL 36 Cb -0.11 -0.43 0.06 0.00 0.56 0.00 0.00 36.38 36.46 1x5i s VAL 36 CO 0.01 0.06 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.17 1x5i s ARG 37 N -0.34 2.01 -0.22 4.82 3.52 -0.41 -4.98 118.95 123.34 1x5i s ARG 37 Ca 0.01 -1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 54.10 1x5i s ARG 37 Cb -0.03 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1x5i s ARG 37 CO -0.00 -0.58 1.61 -1.25 -0.81 0.00 0.00 175.30 174.27 1x5i s PRO 38 N 1.21 3.79 0.17 5.12 0.04 -1.26 -1.11 135.00 142.96 1x5i s PRO 38 Ca -0.08 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.67 1x5i s PRO 38 Cb -0.20 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1x5i s PRO 38 CO -0.05 -1.30 0.04 -0.51 0.04 0.00 0.00 177.00 175.22 1x5i s LEU 39 N 5.21 3.48 0.00 -3.56 1.02 0.18 -4.42 118.68 120.60 1x5i s LEU 39 Ca 0.71 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.56 1x5i s LEU 39 Cb -0.25 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 43.84 1x5i s LEU 39 CO 0.29 0.09 0.39 0.52 0.02 0.00 0.00 176.35 177.66 1x5i n VAL 40 N -0.16 0.00 -1.29 -1.59 0.31 -1.26 -2.02 118.33 112.32 1x5i n VAL 40 Ca -0.09 0.66 0.03 0.00 -0.01 0.00 0.00 64.34 64.92 1x5i n VAL 40 Cb 0.55 -0.92 0.21 0.00 -0.91 0.00 0.00 33.84 32.76 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 -1.62 2.33 -3.89 2.52 -2.24 -1.26 -3.90 114.28 106.22 1x5i n THR 41 Ca 0.00 -2.51 -0.11 0.00 -2.27 0.00 0.00 64.05 59.16 1x5i n THR 41 Cb 0.00 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.02 -1.34 -3.15 3.42 3.41 -0.86 -2.80 113.62 111.29 1x5i n SER 42 Ca 0.25 -2.51 0.04 0.00 -0.26 0.00 0.00 58.87 56.40 1x5i n SER 42 Cb 0.88 2.40 -0.01 0.00 -0.26 0.00 0.00 64.21 67.23 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 -2.62 -1.00 -0.76 -1.33 1.01 -0.82 0.52 121.20 116.21 1x5i s ILE 43 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 1x5i s ILE 43 Cb -0.02 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1x5i s ILE 43 CO 0.15 0.00 1.56 -0.69 0.00 0.00 0.00 174.94 175.96 1x5i s VAL 44 N 2.86 3.60 -0.66 2.92 1.01 -0.26 -2.48 120.40 127.39 1x5i s VAL 44 Ca 0.21 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 1x5i s VAL 44 Cb -0.15 -4.53 0.07 0.00 0.00 0.00 0.00 36.38 31.76 1x5i s VAL 44 CO -0.21 -1.48 0.98 -0.69 0.00 0.00 0.00 175.10 173.70 1x5i s VAL 45 N 7.14 4.30 -0.20 2.92 1.01 0.11 -1.28 120.40 134.40 1x5i s VAL 45 Ca 0.50 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1x5i s VAL 45 Cb -0.08 -4.69 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 1x5i s VAL 45 CO 0.12 -1.47 0.01 -0.55 0.00 0.00 0.00 175.10 173.21 1x5i s SER 46 N 3.66 4.95 0.35 3.32 0.15 0.12 0.02 113.70 126.27 1x5i s SER 46 Ca 0.23 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.73 1x5i s SER 46 Cb -0.16 -1.84 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1x5i s SER 46 CO 0.11 0.08 0.04 -2.67 1.20 0.00 0.00 173.24 172.01 1x5i n TRP 47 N 4.11 0.57 -3.87 3.44 2.14 -0.94 0.55 117.44 123.43 1x5i n TRP 47 Ca -0.17 -1.91 -0.11 0.00 2.07 0.00 0.00 57.50 57.38 1x5i n TRP 47 Cb 0.52 -0.15 -0.10 0.00 -0.81 0.00 0.00 31.31 30.77 1x5i n TRP 47 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1x5i s THR 48 N -2.50 0.08 0.81 -1.67 -4.23 -1.23 -4.80 115.64 102.10 1x5i s THR 48 Ca 0.06 -0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.77 1x5i s THR 48 Cb 0.00 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.49 1x5i s THR 48 CO 0.04 -0.38 1.09 -2.16 -0.54 0.00 0.00 174.62 172.67 1x5i s PRO 49 N -1.39 1.93 -0.06 3.99 0.04 -1.26 -4.09 135.00 134.16 1x5i s PRO 49 Ca -0.15 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 1x5i s PRO 49 Cb -0.08 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1x5i s PRO 49 CO 0.02 -1.84 1.50 -1.25 0.04 0.00 0.00 177.00 175.47 1x5i s PRO 50 N -4.91 4.22 0.39 0.56 0.04 -1.26 -3.82 135.00 130.21 1x5i s PRO 50 Ca 0.62 2.02 0.34 0.00 0.04 0.00 0.00 61.00 64.01 1x5i s PRO 50 Cb -0.17 -3.82 1.26 0.00 0.04 0.00 0.00 34.50 31.80 1x5i s PRO 50 CO 0.56 -0.74 1.18 0.39 0.04 0.00 0.00 177.00 178.43 1x5i n GLU 51 N 6.52 -0.01 -2.81 4.56 1.02 -1.26 -3.03 120.64 125.63 1x5i n GLU 51 Ca 0.15 0.87 -0.43 0.00 -0.02 0.00 0.00 57.16 57.73 1x5i n GLU 51 Cb 0.43 -1.89 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1x5i s ASN 52 N -4.05 6.63 0.23 1.62 3.84 -1.26 -4.84 114.94 117.11 1x5i s ASN 52 Ca -0.04 -1.96 -0.05 0.00 0.21 0.00 0.00 52.86 51.01 1x5i s ASN 52 Cb 0.21 -2.45 0.22 0.00 -0.55 0.00 0.00 41.25 38.68 1x5i s ASN 52 CO 0.66 -1.17 1.74 1.56 -2.79 0.00 0.00 177.10 177.10 1x5i h GLN 53 N 8.94 0.99 -0.80 0.43 1.08 -1.96 -2.99 115.11 120.81 1x5i h GLN 53 Ca 0.19 -0.25 0.32 0.00 -1.45 0.00 0.00 58.65 57.47 1x5i h GLN 53 Cb 1.00 -0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 28.18 1x5i h GLN 53 CO 1.22 0.91 0.45 0.09 -0.95 0.00 0.00 178.83 180.55 1x5i n ASN 54 N -4.23 0.25 -4.70 1.46 4.13 -1.26 -4.14 115.26 106.77 1x5i n ASN 54 Ca 0.04 1.22 -0.42 0.00 1.68 0.00 0.00 54.58 57.10 1x5i n ASN 54 Cb 0.28 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 37.89 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x5i s ILE 55 N -5.10 3.78 0.39 2.41 1.01 -1.13 -1.73 121.20 120.82 1x5i s ILE 55 Ca -0.07 1.20 -0.27 0.00 0.00 0.00 0.00 60.65 61.52 1x5i s ILE 55 Cb 0.25 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 1x5i s ILE 55 CO 0.59 0.03 1.29 -0.69 0.00 0.00 0.00 174.94 176.16 1x5i s VAL 56 N 1.94 2.71 -0.06 2.92 1.01 -0.74 -4.95 120.40 123.24 1x5i s VAL 56 Ca 0.62 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 1x5i s VAL 56 Cb -0.31 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1x5i s VAL 56 CO 0.27 0.11 0.10 -0.69 0.00 0.00 0.00 175.10 174.88 1x5i s VAL 57 N -1.25 -0.17 -0.07 2.92 1.01 -1.26 -4.67 120.40 116.92 1x5i s VAL 57 Ca 0.55 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1x5i s VAL 57 Cb -0.37 -0.21 -0.25 0.00 0.00 0.00 0.00 36.38 35.55 1x5i s VAL 57 CO 0.49 0.16 0.56 0.03 0.00 0.00 0.00 175.10 176.34 1x5i h ARG 58 N 8.41 0.15 0.00 2.72 2.47 -1.88 -3.45 114.38 122.79 1x5i h ARG 58 Ca -0.12 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1x5i h ARG 58 Cb 1.12 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1x5i h ARG 58 CO 0.15 0.89 0.00 0.41 0.56 0.00 0.00 179.97 181.97 1x5i n GLY 59 N 1.76 0.73 3.37 0.04 0.00 -1.04 -2.85 105.19 107.20 1x5i n GLY 59 Ca -0.23 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.12 0.55 -0.07 1.61 1.51 -1.25 -2.18 117.35 115.40 1x5i s TYR 60 Ca 0.00 -0.89 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 1x5i s TYR 60 Cb 0.00 -0.11 -0.00 0.00 -0.11 0.00 0.00 41.96 41.74 1x5i s TYR 60 CO 0.00 -0.76 -0.23 0.00 -1.11 0.00 0.00 175.55 173.45 1x5i s ALA 61 N -4.02 2.03 -0.20 3.71 0.00 -0.97 -3.51 121.76 118.79 1x5i s ALA 61 Ca 0.23 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1x5i s ALA 61 Cb 0.03 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1x5i s ALA 61 CO 0.05 0.33 -0.09 0.42 0.00 0.00 0.00 175.76 176.46 1x5i s ILE 62 N 0.12 3.02 -0.12 0.00 1.01 -0.50 -2.62 121.20 122.11 1x5i s ILE 62 Ca -0.10 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1x5i s ILE 62 Cb -0.15 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1x5i s ILE 62 CO 0.06 0.46 -0.16 -0.83 0.00 0.00 0.00 174.94 174.46 1x5i s GLY 63 N 1.32 1.48 0.07 6.18 0.00 -0.18 -0.37 107.32 115.82 1x5i s GLY 63 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.89 1x5i s GLY 63 CO -0.05 -0.23 -0.12 -2.52 0.00 0.00 0.00 173.10 170.18 1x5i s TYR 64 N 0.36 1.08 0.00 1.90 1.13 -1.14 -0.48 117.35 120.19 1x5i s TYR 64 Ca -0.13 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.04 1x5i s TYR 64 Cb -0.17 -0.61 0.00 0.00 -1.10 0.00 0.00 41.96 40.08 1x5i s TYR 64 CO 0.07 0.02 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 1x5i n GLY 65 N 1.25 2.27 3.54 5.49 0.00 -1.17 -2.66 105.19 113.92 1x5i n GLY 65 Ca -0.21 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.36 -0.05 0.00 -0.61 5.41 -1.26 -1.84 119.36 120.65 1x5i n ILE 66 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1x5i n ILE 66 Cb 0.00 -2.46 0.00 0.00 -0.71 0.00 0.00 39.64 36.47 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 6.08 1.85 3.23 7.39 0.00 -1.25 -4.89 105.19 117.61 1x5i n GLY 67 Ca 0.41 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1x5i n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5i s SER 68 N 0.00 4.49 0.00 1.61 1.04 -1.15 -4.79 113.70 114.90 1x5i s SER 68 Ca 0.00 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.74 1x5i s SER 68 Cb 0.00 -1.71 0.76 0.00 0.10 0.00 0.00 66.02 65.17 1x5i s SER 68 CO 0.00 -0.14 1.39 -0.81 0.98 0.00 0.00 173.24 174.66 1x5i n PRO 69 N 4.71 0.24 -0.75 4.02 -0.04 -1.26 -3.43 135.00 138.50 1x5i n PRO 69 Ca -0.16 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.31 1x5i n PRO 69 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1x5i n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5i n HIS 70 N -1.25 1.08 -0.11 0.54 8.25 -1.26 -3.59 115.22 118.88 1x5i n HIS 70 Ca 0.08 -1.62 -0.23 0.00 -0.26 0.00 0.00 57.72 55.68 1x5i n HIS 70 Cb 0.11 -0.79 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5i n ALA 71 N 0.63 1.48 -2.30 -1.41 0.00 -1.22 -5.06 120.51 112.63 1x5i n ALA 71 Ca 0.21 -0.89 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 1x5i n ALA 71 Cb 0.58 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.46 0.72 -0.02 0.00 1.11 -1.09 -5.03 119.66 112.89 1x5i s GLN 72 Ca -0.31 -1.19 0.01 0.00 0.01 0.00 0.00 55.36 53.88 1x5i s GLN 72 Cb 0.11 -0.13 0.01 0.00 -1.01 0.00 0.00 33.01 32.00 1x5i s GLN 72 CO 0.40 -0.02 -0.02 0.99 0.01 0.00 0.00 175.29 176.64 1x5i s THR 73 N -3.22 0.28 -0.17 -0.19 2.01 -1.26 -2.90 115.64 110.19 1x5i s THR 73 Ca 0.06 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1x5i s THR 73 Cb 0.03 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1x5i s THR 73 CO -0.05 0.13 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.19 1x5i s ILE 74 N 0.55 2.00 -0.11 1.82 1.01 0.51 -4.95 121.20 122.03 1x5i s ILE 74 Ca -0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1x5i s ILE 74 Cb -0.09 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1x5i s ILE 74 CO -0.01 0.53 0.06 -0.54 0.00 0.00 0.00 174.94 174.98 1x5i s LYS 75 N 1.23 3.29 0.18 2.79 1.02 -1.26 -1.41 119.74 125.59 1x5i s LYS 75 Ca 0.03 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 55.73 1x5i s LYS 75 Cb -0.13 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1x5i s LYS 75 CO -0.11 0.67 0.21 1.33 -0.92 0.00 0.00 175.35 176.53 1x5i n VAL 76 N 2.29 0.00 -2.92 3.17 0.24 -1.23 -5.07 118.33 114.82 1x5i n VAL 76 Ca -0.19 -1.06 -0.20 0.00 -2.04 0.00 0.00 64.34 60.85 1x5i n VAL 76 Cb 0.54 0.59 0.02 0.00 -1.47 0.00 0.00 33.84 33.52 1x5i n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1x5i s ASP 77 N -2.16 5.58 0.33 -1.34 2.15 -1.26 -3.92 116.67 116.05 1x5i s ASP 77 Ca 0.17 -0.07 0.01 0.00 0.43 0.00 0.00 52.55 53.10 1x5i s ASP 77 Cb 0.00 -1.02 0.55 0.00 -0.30 0.00 0.00 42.92 42.15 1x5i s ASP 77 CO 0.12 -0.86 1.96 0.10 -0.17 0.00 0.00 175.17 176.33 1x5i h TYR 78 N 0.39 0.84 -0.81 -5.34 -0.00 -1.84 -2.44 116.97 107.76 1x5i h TYR 78 Ca -0.43 -0.00 0.14 0.00 0.00 0.00 0.00 58.73 58.44 1x5i h TYR 78 Cb 1.28 -0.28 -0.09 0.00 0.00 0.00 0.00 36.73 37.64 1x5i h TYR 78 CO 0.40 0.57 0.39 0.87 -0.00 0.00 0.00 178.16 180.40 1x5i h LYS 79 N 0.88 0.55 -6.34 0.10 1.79 -1.94 -3.40 116.57 108.21 1x5i h LYS 79 Ca 0.23 -0.03 -0.58 0.00 -2.18 0.00 0.00 60.65 58.09 1x5i h LYS 79 Cb -0.01 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1x5i h LYS 79 CO -0.04 0.36 1.13 1.04 -1.08 0.00 0.00 179.45 180.86 1x5i n GLN 80 N -4.91 2.46 -0.06 3.15 3.00 -0.92 -4.87 117.38 115.23 1x5i n GLN 80 Ca 0.16 0.90 -0.15 0.00 -0.01 0.00 0.00 57.00 57.90 1x5i n GLN 80 Cb 0.42 -2.79 -0.14 0.00 0.00 0.00 0.00 30.24 27.74 1x5i n GLN 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1x5i n ARG 81 N 6.68 0.69 -4.11 -1.09 0.00 -1.26 -4.92 116.66 112.64 1x5i n ARG 81 Ca 0.21 0.18 -0.10 0.00 -0.00 0.00 0.00 57.85 58.14 1x5i n ARG 81 Cb 0.34 -1.63 -0.09 0.00 0.00 0.00 0.00 32.46 31.08 1x5i n ARG 81 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1x5i s TYR 82 N -2.54 0.81 -0.02 -0.14 1.13 -1.26 -2.22 117.35 113.11 1x5i s TYR 82 Ca -0.19 -1.14 0.01 0.00 -1.41 0.00 0.00 57.07 54.34 1x5i s TYR 82 Cb 0.07 -0.36 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 1x5i s TYR 82 CO 0.75 -0.64 -0.01 -0.47 -2.51 0.00 0.00 175.55 172.67 1x5i s TYR 83 N -4.06 0.26 -0.65 -3.49 6.14 0.10 -4.97 117.35 110.68 1x5i s TYR 83 Ca 0.27 -0.00 -0.13 0.00 0.64 0.00 0.00 57.07 57.84 1x5i s TYR 83 Cb 0.06 -0.31 0.17 0.00 0.42 0.00 0.00 41.96 42.29 1x5i s TYR 83 CO 0.05 -0.09 0.58 0.99 0.64 0.00 0.00 175.55 177.73 1x5i s THR 84 N 0.68 5.14 -0.39 4.34 2.01 -1.26 0.05 115.64 126.21 1x5i s THR 84 Ca -0.07 -2.01 -0.29 0.00 0.31 0.00 0.00 61.69 59.64 1x5i s THR 84 Cb -0.10 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1x5i s THR 84 CO -0.01 -0.92 1.30 -0.63 -0.69 0.00 0.00 174.62 173.66 1x5i s ILE 85 N 0.91 4.08 0.49 1.82 1.01 -1.04 -4.88 121.20 123.59 1x5i s ILE 85 Ca 0.10 1.15 0.08 0.00 0.00 0.00 0.00 60.65 61.98 1x5i s ILE 85 Cb -0.21 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 37.99 1x5i s ILE 85 CO -0.03 -0.71 0.53 -1.61 0.00 0.00 0.00 174.94 173.12 1x5i s GLU 86 N 4.52 2.45 -0.79 2.79 2.02 -1.26 -1.93 118.70 126.49 1x5i s GLU 86 Ca 0.56 -1.63 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 1x5i s GLU 86 Cb -0.13 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1x5i s GLU 86 CO 0.28 -0.49 0.66 0.09 0.02 0.00 0.00 175.26 175.83 1x5i n ASN 87 N -1.83 -2.33 -4.63 -0.19 3.02 -1.17 -4.98 115.26 103.15 1x5i n ASN 87 Ca 0.06 -0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 53.97 1x5i n ASN 87 Cb 0.62 -3.50 -0.08 0.00 -0.61 0.00 0.00 39.78 36.20 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 -4.86 2.98 -0.22 3.41 1.43 -1.12 -5.07 118.68 115.23 1x5i s LEU 88 Ca 0.04 -0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 51.98 1x5i s LEU 88 Cb -0.02 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1x5i s LEU 88 CO 0.47 -0.21 0.55 -1.81 0.23 0.00 0.00 176.35 175.58 1x5i s ASP 89 N -3.71 6.55 0.92 2.29 1.11 -1.26 -4.70 116.67 117.88 1x5i s ASP 89 Ca 0.34 0.66 -0.12 0.00 0.18 0.00 0.00 52.55 53.62 1x5i s ASP 89 Cb -0.01 -2.30 0.14 0.00 1.07 0.00 0.00 42.92 41.82 1x5i s ASP 89 CO 0.19 -0.25 1.09 -2.16 1.18 0.00 0.00 175.17 175.23 1x5i s PRO 90 N 1.97 1.03 -1.33 8.23 0.04 -1.25 -4.03 135.00 139.66 1x5i s PRO 90 Ca 0.24 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 1x5i s PRO 90 Cb -0.16 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1x5i s PRO 90 CO 0.09 -2.38 0.73 0.43 0.04 0.00 0.00 177.00 175.91 1x5i n SER 91 N -3.96 -1.52 -3.67 6.66 7.64 -0.86 -4.91 113.62 113.00 1x5i n SER 91 Ca 0.06 -0.81 -0.15 0.00 1.01 0.00 0.00 58.87 58.98 1x5i n SER 91 Cb 0.56 -4.05 -0.08 0.00 -1.01 0.00 0.00 64.21 59.63 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5i s SER 92 N -4.26 -0.36 -0.08 6.43 0.01 -1.25 -4.97 113.70 109.22 1x5i s SER 92 Ca 0.07 0.30 -0.19 0.00 1.31 0.00 0.00 55.95 57.44 1x5i s SER 92 Cb -0.03 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1x5i s SER 92 CO 0.81 -0.51 0.52 -2.28 0.41 0.00 0.00 173.24 172.19 1x5i s HIS 93 N -1.34 3.56 -0.09 2.43 5.65 -1.26 -1.52 115.29 122.73 1x5i s HIS 93 Ca -0.12 0.99 0.03 0.00 0.25 0.00 0.00 55.06 56.21 1x5i s HIS 93 Cb -0.03 -2.57 0.01 0.00 -1.18 0.00 0.00 32.58 28.80 1x5i s HIS 93 CO 0.06 0.22 -0.19 0.71 -0.65 0.00 0.00 174.74 174.89 1x5i s TYR 94 N 0.39 2.11 -0.41 3.88 2.02 0.21 -3.76 117.35 121.79 1x5i s TYR 94 Ca 0.28 -0.84 -0.20 0.00 -0.37 0.00 0.00 57.07 55.94 1x5i s TYR 94 Cb -0.16 -1.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.97 1x5i s TYR 94 CO 0.13 -0.36 0.62 0.08 -1.57 0.00 0.00 175.55 174.45 1x5i s VAL 95 N 0.47 4.87 -0.11 0.71 1.01 -0.76 -2.65 120.40 123.93 1x5i s VAL 95 Ca -0.17 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1x5i s VAL 95 Cb -0.17 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1x5i s VAL 95 CO 0.07 -0.49 0.20 -0.63 0.00 0.00 0.00 175.10 174.24 1x5i s ILE 96 N 2.74 5.40 0.03 2.22 1.09 -1.21 -3.06 121.20 128.40 1x5i s ILE 96 Ca 0.22 0.35 0.02 0.00 -1.10 0.00 0.00 60.65 60.14 1x5i s ILE 96 Cb -0.14 -3.48 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 1x5i s ILE 96 CO 0.17 0.57 -0.08 0.42 -0.10 0.00 0.00 174.94 175.92 1x5i s THR 97 N -0.73 0.59 -0.01 2.92 -4.23 0.37 -1.69 115.64 112.86 1x5i s THR 97 Ca 0.16 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1x5i s THR 97 Cb -0.13 -0.59 0.01 0.00 1.34 0.00 0.00 72.50 73.13 1x5i s THR 97 CO 0.05 -0.15 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.76 1x5i s LEU 98 N -1.01 1.73 -0.02 4.79 2.96 -1.26 -1.01 118.68 124.86 1x5i s LEU 98 Ca -0.04 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1x5i s LEU 98 Cb -0.07 -0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.58 1x5i s LEU 98 CO 0.00 -0.03 0.02 -1.59 -1.32 0.00 0.00 176.35 173.44 1x5i s LYS 99 N 0.30 0.06 -0.20 1.98 -2.85 -1.08 -0.75 119.74 117.21 1x5i s LYS 99 Ca -0.03 0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.81 1x5i s LYS 99 Cb -0.04 -0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.41 1x5i s LYS 99 CO -0.01 -0.16 1.07 0.00 0.10 0.00 0.00 175.35 176.35 1x5i s ALA 100 N 1.08 3.64 0.06 0.59 0.00 -1.26 -2.29 121.76 123.58 1x5i s ALA 100 Ca -0.09 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.21 1x5i s ALA 100 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1x5i s ALA 100 CO -0.03 -0.99 -0.21 -0.59 0.00 0.00 0.00 175.76 173.94 1x5i s PHE 101 N 3.03 1.81 0.21 0.00 -0.12 -0.93 -2.87 117.98 119.11 1x5i s PHE 101 Ca 0.47 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 57.00 1x5i s PHE 101 Cb -0.17 -1.05 -0.01 0.00 -0.63 0.00 0.00 43.02 41.16 1x5i s PHE 101 CO 0.10 0.13 0.19 0.27 -0.05 0.00 0.00 175.22 175.86 1x5i n ASN 102 N 1.59 -0.50 -0.32 1.98 6.94 0.70 -2.49 115.26 123.17 1x5i n ASN 102 Ca -0.18 -2.33 0.20 0.00 -0.02 0.00 0.00 54.58 52.25 1x5i n ASN 102 Cb 0.53 1.11 0.41 0.00 -2.36 0.00 0.00 39.78 39.47 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 1.26 0.32 0.00 0.53 -0.00 -1.95 0.40 115.58 116.14 1x5i h ASN 103 Ca -0.15 0.19 -0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1x5i h ASN 103 Cb 0.74 0.19 0.00 0.00 -0.00 0.00 0.00 38.32 39.25 1x5i h ASN 103 CO 0.21 -0.14 -0.00 0.58 -0.00 0.00 0.00 177.43 178.08 1x5i h VAL 104 N 0.28 1.37 0.00 2.57 2.07 -1.90 -3.50 116.25 117.14 1x5i h VAL 104 Ca 0.67 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1x5i h VAL 104 Cb 1.47 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1x5i h VAL 104 CO -0.63 0.28 0.00 0.61 0.02 0.00 0.00 177.57 177.85 1x5i n GLY 105 N 0.17 -1.00 3.49 2.17 0.00 0.13 -4.91 105.19 105.24 1x5i n GLY 105 Ca -0.08 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 1x5i n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5i s GLU 106 N -1.79 1.77 0.00 1.61 1.03 -1.26 -0.21 118.70 119.84 1x5i s GLU 106 Ca 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 54.97 53.37 1x5i s GLU 106 Cb 0.00 -1.87 0.00 0.00 -0.80 0.00 0.00 34.13 31.46 1x5i s GLU 106 CO 0.00 0.36 0.00 0.41 -1.33 0.00 0.00 175.26 174.70 1x5i n GLY 107 N -0.45 0.58 3.59 -3.83 0.00 -1.14 -4.89 105.19 99.05 1x5i n GLY 107 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5i s ILE 108 N 3.79 4.47 1.15 -0.61 -0.00 -1.26 -4.94 121.20 123.81 1x5i s ILE 108 Ca 0.00 -0.15 -0.17 0.00 -0.00 0.00 0.00 60.65 60.33 1x5i s ILE 108 Cb 0.00 -3.00 0.26 0.00 -0.00 0.00 0.00 42.46 39.72 1x5i s ILE 108 CO 0.00 0.47 1.11 -2.16 -0.00 0.00 0.00 174.94 174.36 1x5i s PRO 109 N 0.35 -0.79 0.48 0.37 0.04 -1.26 -3.71 135.00 130.48 1x5i s PRO 109 Ca 0.01 0.09 0.07 0.00 0.04 0.00 0.00 61.00 61.20 1x5i s PRO 109 Cb -0.13 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1x5i s PRO 109 CO 0.01 -3.46 0.37 -0.51 0.04 0.00 0.00 177.00 173.46 1x5i s LEU 110 N -6.81 3.01 -0.09 -3.56 1.43 0.07 -4.87 118.68 107.86 1x5i s LEU 110 Ca 0.69 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1x5i s LEU 110 Cb -0.12 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1x5i s LEU 110 CO 0.56 -0.88 0.02 -0.31 0.23 0.00 0.00 176.35 175.98 1x5i s TYR 111 N -2.64 0.60 0.32 0.29 1.51 -1.26 -3.99 117.35 112.17 1x5i s TYR 111 Ca 0.41 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1x5i s TYR 111 Cb -0.02 -0.78 -0.06 0.00 -0.11 0.00 0.00 41.96 41.00 1x5i s TYR 111 CO 0.24 -0.35 0.07 -1.21 -1.11 0.00 0.00 175.55 173.19 1x5i s GLU 112 N 2.00 1.62 -0.01 -0.62 0.41 -0.68 -5.02 118.70 116.39 1x5i s GLU 112 Ca 0.04 -1.90 0.02 0.00 -0.41 0.00 0.00 54.97 52.72 1x5i s GLU 112 Cb -0.13 -0.69 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 1x5i s GLU 112 CO -0.05 -0.24 -0.06 -1.54 -0.49 0.00 0.00 175.26 172.87 1x5i s SER 113 N -3.45 0.85 -0.17 -0.19 1.04 -1.26 -3.28 113.70 107.22 1x5i s SER 113 Ca 0.36 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 1x5i s SER 113 Cb 0.08 -0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.10 1x5i s SER 113 CO 0.15 0.06 0.38 0.00 0.98 0.00 0.00 173.24 174.81 1x5i s ALA 114 N 0.07 -0.99 -0.44 5.32 0.00 -1.08 -4.95 121.76 119.68 1x5i s ALA 114 Ca -0.01 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 1x5i s ALA 114 Cb -0.05 -1.12 0.10 0.00 0.00 0.00 0.00 23.12 22.05 1x5i s ALA 114 CO -0.00 -0.56 0.30 0.08 0.00 0.00 0.00 175.76 175.58 1x5i s VAL 115 N 2.15 4.20 0.26 0.00 1.01 -1.26 -0.62 120.40 126.14 1x5i s VAL 115 Ca -0.04 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.06 1x5i s VAL 115 Cb -0.11 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 1x5i s VAL 115 CO -0.12 -0.64 0.98 0.35 0.00 0.00 0.00 175.10 175.68 1x5i n THR 116 N 4.91 1.84 -1.68 3.92 -2.24 -0.58 -4.82 114.28 115.63 1x5i n THR 116 Ca -0.09 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 1x5i n THR 116 Cb 0.42 -0.88 0.06 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.33 2.59 -0.24 -0.78 0.52 -1.25 -2.02 118.95 116.44 1x5i s ARG 117 Ca 0.61 1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 57.09 1x5i s ARG 117 Cb -0.75 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 1x5i s ARG 117 CO 0.58 -1.44 1.62 -1.25 0.02 0.00 0.00 175.30 174.84 1x5i s PRO 118 N -3.94 3.74 -0.76 3.54 0.04 -1.26 -2.93 135.00 133.43 1x5i s PRO 118 Ca 0.70 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 1x5i s PRO 118 Cb -0.24 -4.05 -0.13 0.00 0.04 0.00 0.00 34.50 30.12 1x5i s PRO 118 CO 0.41 -1.36 2.40 -1.58 0.04 0.00 0.00 177.00 176.92 1x5i s HIS 119 N 5.37 1.14 0.64 0.56 2.46 -1.26 -4.91 115.29 119.29 1x5i s HIS 119 Ca 0.72 1.93 -0.17 0.00 0.47 0.00 0.00 55.06 58.01 1x5i s HIS 119 Cb -0.24 -3.46 -0.01 0.00 -0.13 0.00 0.00 32.58 28.74 1x5i s HIS 119 CO 0.30 -1.68 1.17 -0.08 -2.47 0.00 0.00 174.74 171.98 1x5i s THR 120 N 14.46 2.78 -0.27 0.89 -1.32 -1.26 -4.99 115.64 125.94 1x5i s THR 120 Ca 0.93 0.42 -0.11 0.00 -1.21 0.00 0.00 61.69 61.72 1x5i s THR 120 Cb -0.13 -3.04 -0.14 0.00 -1.51 0.00 0.00 72.50 67.68 1x5i s THR 120 CO 0.10 -0.17 -0.27 -0.24 -2.21 0.00 0.00 174.62 171.83 1x5i n SER 121 N -2.09 1.96 0.00 8.08 2.88 -1.26 -5.09 113.62 118.10 1x5i n SER 121 Ca 0.12 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1x5i n SER 121 Cb 0.51 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1x5i n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5i n GLY 122 N 1.48 1.08 3.73 0.46 0.00 -1.26 -5.09 105.19 105.58 1x5i n GLY 122 Ca -0.51 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 4.37 -1.39 1.61 0.04 -1.26 -3.01 135.00 135.36 1x5i s PRO 123 Ca 0.00 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1x5i s PRO 123 Cb 0.00 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1x5i s PRO 123 CO 0.00 -0.31 0.92 0.43 0.04 0.00 0.00 177.00 178.08 1x5i n SER 124 N 3.16 -6.15 0.08 6.66 7.64 -1.26 -4.91 113.62 118.84 1x5i n SER 124 Ca 0.08 -0.42 -0.13 0.00 1.01 0.00 0.00 58.87 59.41 1x5i n SER 124 Cb 0.43 -4.85 -0.08 0.00 -1.01 0.00 0.00 64.21 58.70 1x5i n SER 124 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x5i h SER 125 N -2.11 -0.12 0.00 6.43 0.02 -1.97 -3.51 113.55 112.30 1x5i h SER 125 Ca -0.53 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1x5i h SER 125 Cb 1.36 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1x5i h SER 125 CO 0.54 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.87