#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwt s GLN 3 N 0.00 0.80 -0.09 7.34 -2.07 0.76 -4.97 119.66 121.43 3dwt s GLN 3 Ca 0.00 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 3dwt s GLN 3 Cb 0.00 -0.64 -0.03 0.00 -1.09 0.00 0.00 33.01 31.25 3dwt s GLN 3 CO 0.00 0.12 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.51 3dwt s LEU 4 N -2.04 3.14 -0.29 2.60 1.43 -1.26 0.56 118.68 122.81 3dwt s LEU 4 Ca 0.01 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3dwt s LEU 4 Cb -0.07 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.52 3dwt s LEU 4 CO 0.01 0.31 -0.04 -0.69 0.23 0.00 0.00 176.35 176.18 3dwt s VAL 5 N -0.51 2.51 -0.25 -1.59 1.01 0.79 -4.51 120.40 117.85 3dwt s VAL 5 Ca 0.08 -1.66 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 3dwt s VAL 5 Cb -0.12 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3dwt s VAL 5 CO 0.02 -0.15 0.98 -1.61 0.00 0.00 0.00 175.10 174.33 3dwt s GLU 6 N 1.13 4.19 0.03 2.72 2.02 -1.26 -1.61 118.70 125.92 3dwt s GLU 6 Ca -0.05 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.11 3dwt s GLU 6 Cb -0.20 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.37 3dwt s GLU 6 CO -0.04 -0.65 0.03 0.43 0.02 0.00 0.00 175.26 175.06 3dwt n SER 7 N 6.31 0.35 -0.91 -0.19 7.64 0.60 -4.97 113.62 122.46 3dwt n SER 7 Ca 0.10 -1.08 0.08 0.00 1.01 0.00 0.00 58.87 58.98 3dwt n SER 7 Cb 0.47 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 3dwt n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dwt n GLY 8 N 4.65 -1.07 0.00 0.23 0.00 -1.26 -3.39 105.19 104.35 3dwt n GLY 8 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3dwt n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 9 N -1.88 1.27 0.00 -0.02 0.00 -1.26 -4.87 105.19 98.43 3dwt n GLY 9 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3dwt n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 10 N -0.76 0.91 3.48 -0.02 0.00 -0.92 -4.98 105.19 102.89 3dwt n GLY 10 Ca 0.00 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 3dwt n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwt s SER 11 N -1.47 4.42 0.12 1.61 1.04 -1.26 -1.63 113.70 116.52 3dwt s SER 11 Ca 0.00 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.29 3dwt s SER 11 Cb 0.00 -1.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 3dwt s SER 11 CO 0.00 0.24 -0.08 0.54 0.98 0.00 0.00 173.24 174.92 3dwt s VAL 12 N -0.09 0.87 0.10 5.02 0.11 0.20 -4.93 120.40 121.68 3dwt s VAL 12 Ca -0.00 -1.96 -0.22 0.00 -2.93 0.00 0.00 61.98 56.87 3dwt s VAL 12 Cb -0.13 -1.72 -0.07 0.00 -1.53 0.00 0.00 36.38 32.93 3dwt s VAL 12 CO 0.03 -0.81 0.66 -1.58 -3.33 0.00 0.00 175.10 170.07 3dwt s GLN 13 N -3.73 4.36 0.20 1.54 0.74 -1.26 -1.75 119.66 119.75 3dwt s GLN 13 Ca 0.13 0.90 -0.24 0.00 0.05 0.00 0.00 55.36 56.21 3dwt s GLN 13 Cb 0.04 -3.26 -0.15 0.00 1.10 0.00 0.00 33.01 30.74 3dwt s GLN 13 CO -0.03 0.57 0.40 0.00 -0.55 0.00 0.00 175.29 175.68 3dwt n ALA 14 N 1.84 -2.65 0.00 1.58 0.00 0.50 -0.77 120.51 121.01 3dwt n ALA 14 Ca -0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3dwt n ALA 14 Cb 0.50 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3dwt n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwt n GLY 15 N 1.77 2.84 3.80 0.00 0.00 0.76 -4.97 105.19 109.39 3dwt n GLY 15 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3dwt n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwt s GLY 16 N -1.74 1.63 0.46 -0.02 0.00 0.05 -4.50 107.32 103.20 3dwt s GLY 16 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.00 3dwt s GLY 16 CO 0.00 -0.12 0.48 -1.26 0.00 0.00 0.00 173.10 172.20 3dwt n SER 17 N -3.88 2.08 0.00 1.64 2.88 -1.25 -2.34 113.62 112.75 3dwt n SER 17 Ca 0.10 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 3dwt n SER 17 Cb 0.60 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 3dwt n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3dwt n LEU 18 N 0.00 0.00 -3.95 2.46 0.00 -0.86 -4.93 117.00 109.71 3dwt n LEU 18 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.76 3dwt n LEU 18 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.76 3dwt n LEU 18 CO 0.31 0.00 -0.42 -0.60 0.00 0.00 0.00 177.39 176.68 3dwt s ARG 19 N -0.60 1.65 0.42 1.96 3.52 -1.26 -1.77 118.95 122.86 3dwt s ARG 19 Ca 0.00 -1.08 -0.22 0.00 -0.13 0.00 0.00 55.73 54.30 3dwt s ARG 19 Cb 0.00 -2.64 -0.11 0.00 -1.56 0.00 0.00 34.95 30.65 3dwt s ARG 19 CO 0.00 -0.63 0.95 -0.51 -0.81 0.00 0.00 175.30 174.31 3dwt s LEU 20 N 1.34 4.00 0.07 -0.88 1.43 -0.59 -4.37 118.68 119.69 3dwt s LEU 20 Ca -0.05 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 3dwt s LEU 20 Cb -0.19 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 3dwt s LEU 20 CO -0.07 -0.33 -0.08 -0.55 0.23 0.00 0.00 176.35 175.55 3dwt s SER 21 N -2.08 1.09 -0.15 2.29 0.15 -1.22 -1.85 113.70 111.94 3dwt s SER 21 Ca 0.60 -0.76 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 3dwt s SER 21 Cb -0.11 0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.31 3dwt s SER 21 CO 0.15 -0.30 0.32 0.00 1.20 0.00 0.00 173.24 174.61 3dwt s THR 23 N 1.95 2.58 -0.43 0.00 2.01 -0.63 -0.77 115.64 120.35 3dwt s THR 23 Ca -0.04 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.86 3dwt s THR 23 Cb -0.11 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.44 3dwt s THR 23 CO -0.10 0.58 0.66 0.00 -0.69 0.00 0.00 174.62 175.06 3dwt s ALA 24 N -0.46 3.35 -0.11 7.40 0.00 -0.84 -0.15 121.76 130.96 3dwt s ALA 24 Ca 0.05 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3dwt s ALA 24 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3dwt s ALA 24 CO 0.01 -1.76 0.28 0.45 0.00 0.00 0.00 175.76 174.74 3dwt s SER 25 N 2.00 6.52 0.00 0.00 0.15 0.19 -4.94 113.70 117.62 3dwt s SER 25 Ca 0.24 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.51 3dwt s SER 25 Cb -0.14 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 3dwt s SER 25 CO 0.19 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.48 3dwt n GLY 26 N 2.59 3.29 2.72 9.45 0.00 -1.26 -0.17 105.19 121.81 3dwt n GLY 26 Ca -0.15 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 3dwt n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwt s GLY 27 N 0.00 0.24 0.00 -0.02 0.00 -1.26 -5.03 107.32 101.25 3dwt s GLY 27 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3dwt s GLY 27 CO 0.00 1.12 0.00 1.44 0.00 0.00 0.00 173.10 175.66 3dwt n SER 28 N 4.92 0.00 -4.68 1.64 7.64 -1.26 -5.07 113.62 116.80 3dwt n SER 28 Ca -0.11 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.44 3dwt n SER 28 Cb 0.50 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 3dwt n SER 28 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3dwt s SER 31 N -0.11 5.13 0.15 6.43 0.15 -1.26 -5.24 113.70 118.95 3dwt s SER 31 Ca 0.00 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.54 3dwt s SER 31 Cb 0.00 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.98 3dwt s SER 31 CO 0.00 0.29 1.60 0.22 1.20 0.00 0.00 173.24 176.55 3dwt h TYR 32 N 4.43 0.95 0.00 3.44 3.20 -1.98 -2.84 116.97 124.17 3dwt h TYR 32 Ca -0.49 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.21 3dwt h TYR 32 Cb 1.18 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3dwt h TYR 32 CO 0.61 0.90 0.03 -1.13 -1.64 0.00 0.00 178.16 176.93 3dwt n SER 33 N -4.33 0.00 0.01 -2.11 3.41 -1.26 0.07 113.62 109.42 3dwt n SER 33 Ca 0.01 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 3dwt n SER 33 Cb 0.32 -0.15 0.11 0.00 -0.26 0.00 0.00 64.21 64.23 3dwt n SER 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dwt n THR 34 N -1.09 0.05 -3.70 6.66 -1.04 -1.07 -3.61 114.28 110.47 3dwt n THR 34 Ca 0.00 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 3dwt n THR 34 Cb 0.03 0.40 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 3dwt n THR 34 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3dwt s PHE 35 N -3.05 3.48 -0.09 -1.42 0.40 0.11 -2.13 117.98 115.29 3dwt s PHE 35 Ca 0.09 0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.86 3dwt s PHE 35 Cb 0.16 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3dwt s PHE 35 CO 0.76 0.42 -0.20 -1.12 0.70 0.00 0.00 175.22 175.78 3dwt s SER 36 N -2.85 3.45 0.18 1.36 0.01 0.30 -3.62 113.70 112.54 3dwt s SER 36 Ca 0.39 -0.43 0.11 0.00 1.31 0.00 0.00 55.95 57.33 3dwt s SER 36 Cb -0.12 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 3dwt s SER 36 CO 0.27 0.22 -0.23 -0.76 0.41 0.00 0.00 173.24 173.15 3dwt s LEU 37 N 0.01 2.48 -0.12 2.44 1.43 -0.70 -2.30 118.68 121.92 3dwt s LEU 37 Ca -0.07 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.06 3dwt s LEU 37 Cb -0.15 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 44.88 3dwt s LEU 37 CO 0.05 0.13 0.40 -0.83 0.23 0.00 0.00 176.35 176.33 3dwt s GLY 38 N -2.60 -0.29 -0.17 -3.19 0.00 -0.52 0.25 107.32 100.80 3dwt s GLY 38 Ca 0.20 0.99 -0.13 0.00 0.00 0.00 0.00 44.72 45.78 3dwt s GLY 38 CO 0.10 0.81 0.25 -0.98 0.00 0.00 0.00 173.10 173.27 3dwt s TRP 39 N -0.20 3.45 0.35 1.90 0.52 0.19 -1.33 118.94 123.82 3dwt s TRP 39 Ca -0.04 0.53 0.09 0.00 0.02 0.00 0.00 56.10 56.71 3dwt s TRP 39 Cb -0.03 -2.28 -0.06 0.00 -1.15 0.00 0.00 33.47 29.94 3dwt s TRP 39 CO 0.02 0.27 -0.05 -0.06 0.02 0.00 0.00 176.95 177.15 3dwt s PHE 40 N 0.38 2.47 0.24 -1.98 0.40 0.13 -0.79 117.98 118.83 3dwt s PHE 40 Ca 0.14 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3dwt s PHE 40 Cb -0.12 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.94 3dwt s PHE 40 CO 0.02 0.53 0.30 -0.98 0.70 0.00 0.00 175.22 175.80 3dwt s ARG 41 N -3.66 1.43 -0.30 0.44 1.70 -0.56 -0.48 118.95 117.53 3dwt s ARG 41 Ca 0.34 -1.52 -0.13 0.00 -0.47 0.00 0.00 55.73 53.94 3dwt s ARG 41 Cb 0.02 0.37 0.13 0.00 -0.57 0.00 0.00 34.95 34.90 3dwt s ARG 41 CO 0.18 -0.54 0.77 -1.14 -1.08 0.00 0.00 175.30 173.49 3dwt s GLN 42 N -3.95 0.51 0.41 3.89 0.74 -0.75 -1.51 119.66 118.99 3dwt s GLN 42 Ca 0.32 1.16 0.08 0.00 0.05 0.00 0.00 55.36 56.97 3dwt s GLN 42 Cb 0.03 0.58 0.00 0.00 1.10 0.00 0.00 33.01 34.72 3dwt s GLN 42 CO 0.13 -0.16 0.53 0.00 -0.55 0.00 0.00 175.29 175.24 3dwt s ALA 43 N 2.44 4.43 0.01 1.58 0.00 -1.26 -1.50 121.76 127.47 3dwt s ALA 43 Ca -0.06 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 3dwt s ALA 43 Cb -0.09 -1.56 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 3dwt s ALA 43 CO -0.18 -0.24 1.61 -2.14 0.00 0.00 0.00 175.76 174.80 3dwt s PRO 44 N -4.30 4.21 0.00 0.00 0.02 -1.26 -3.20 135.00 130.47 3dwt s PRO 44 Ca 0.53 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3dwt s PRO 44 Cb -0.09 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.70 3dwt s PRO 44 CO 0.32 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 3dwt n GLY 45 N 3.98 2.82 3.79 0.52 0.00 -1.26 -5.04 105.19 110.01 3dwt n GLY 45 Ca 0.16 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 3dwt n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwt s GLN 46 N 0.00 2.64 0.92 1.61 -0.21 -1.19 -5.05 119.66 118.37 3dwt s GLN 46 Ca 0.00 1.07 -0.15 0.00 0.02 0.00 0.00 55.36 56.30 3dwt s GLN 46 Cb 0.00 -1.95 0.17 0.00 1.00 0.00 0.00 33.01 32.23 3dwt s GLN 46 CO 0.00 -1.34 1.28 -1.21 -2.12 0.00 0.00 175.29 171.90 3dwt s GLU 47 N -4.92 0.99 -0.12 2.91 2.02 -1.26 -4.41 118.70 113.90 3dwt s GLU 47 Ca 0.60 -0.25 -0.28 0.00 0.02 0.00 0.00 54.97 55.05 3dwt s GLU 47 Cb -0.16 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 3dwt s GLU 47 CO 0.54 -2.20 0.96 0.50 0.02 0.00 0.00 175.26 175.08 3dwt s ARG 48 N -5.79 4.39 0.40 1.61 3.52 -1.26 -4.54 118.95 117.28 3dwt s ARG 48 Ca 0.70 1.28 0.08 0.00 -0.13 0.00 0.00 55.73 57.66 3dwt s ARG 48 Cb -0.06 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3dwt s ARG 48 CO 0.52 -0.31 0.21 -1.83 -0.81 0.00 0.00 175.30 173.08 3dwt s GLU 49 N 2.04 2.31 0.19 5.12 -1.05 -0.57 -4.93 118.70 121.81 3dwt s GLU 49 Ca 0.45 -1.73 -0.06 0.00 -0.15 0.00 0.00 54.97 53.48 3dwt s GLU 49 Cb -0.18 -2.10 -0.06 0.00 -0.44 0.00 0.00 34.13 31.36 3dwt s GLU 49 CO 0.16 -0.09 0.46 0.00 0.95 0.00 0.00 175.26 176.74 3dwt s ALA 50 N -2.54 3.69 0.00 -0.84 0.00 -1.26 -1.50 121.76 119.31 3dwt s ALA 50 Ca 0.42 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3dwt s ALA 50 Cb 0.01 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3dwt s ALA 50 CO 0.24 0.55 0.00 0.28 0.00 0.00 0.00 175.76 176.83 3dwt n VAL 51 N -0.16 0.00 -3.64 0.00 0.31 0.03 -4.58 118.33 110.29 3dwt n VAL 51 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.25 3dwt n VAL 51 Cb 0.52 -0.49 -0.07 0.00 -0.91 0.00 0.00 33.84 32.90 3dwt n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dwt s ALA 52 N -1.93 -2.07 0.19 3.52 0.00 -1.04 -1.57 121.76 118.86 3dwt s ALA 52 Ca 0.00 1.77 0.02 0.00 0.00 0.00 0.00 51.96 53.75 3dwt s ALA 52 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 3dwt s ALA 52 CO 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 175.76 175.58 3dwt s ALA 53 N -0.07 1.44 -0.19 0.00 0.00 -0.12 0.54 121.76 123.36 3dwt s ALA 53 Ca 0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 3dwt s ALA 53 Cb -0.04 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.78 3dwt s ALA 53 CO -0.09 -0.33 0.22 -1.50 0.00 0.00 0.00 175.76 174.05 3dwt s ILE 54 N -3.65 -0.32 0.90 0.00 2.07 0.14 -1.59 121.20 118.75 3dwt s ILE 54 Ca 0.26 -0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.32 3dwt s ILE 54 Cb 0.06 -0.64 0.13 0.00 0.13 0.00 0.00 42.46 42.14 3dwt s ILE 54 CO 0.06 -0.17 1.09 0.00 -1.91 0.00 0.00 174.94 174.01 3dwt s ALA 55 N 2.33 1.45 0.70 1.50 0.00 0.18 -1.71 121.76 126.20 3dwt s ALA 55 Ca 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 3dwt s ALA 55 Cb -0.15 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.78 3dwt s ALA 55 CO -0.11 -2.47 0.42 -1.13 0.00 0.00 0.00 175.76 172.47 3dwt n SER 56 N -3.98 0.33 -3.92 0.00 3.41 -1.24 -3.20 113.62 105.01 3dwt n SER 56 Ca 0.08 -1.33 -0.31 0.00 -0.26 0.00 0.00 58.87 57.04 3dwt n SER 56 Cb 0.54 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 3dwt n SER 56 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3dwt n MET 57 N -1.83 -3.82 0.00 4.33 2.81 -1.24 -3.86 117.12 113.52 3dwt n MET 57 Ca 0.06 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 3dwt n MET 57 Cb 0.22 -5.22 0.00 0.00 -0.71 0.00 0.00 33.22 27.50 3dwt n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dwt n GLY 58 N -1.40 2.54 0.00 3.03 0.00 -1.26 -4.98 105.19 103.12 3dwt n GLY 58 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3dwt n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 59 N 0.00 1.66 3.74 -0.02 0.00 -1.19 -5.08 105.19 104.29 3dwt n GLY 59 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dwt n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwt s LEU 60 N 0.00 4.36 0.10 0.99 1.43 -1.26 -4.74 118.68 119.57 3dwt s LEU 60 Ca 0.00 2.84 0.07 0.00 -1.03 0.00 0.00 54.13 56.01 3dwt s LEU 60 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3dwt s LEU 60 CO 0.00 -0.88 -0.10 0.42 0.23 0.00 0.00 176.35 176.01 3dwt s THR 61 N 0.44 3.34 0.01 5.49 -4.23 -1.26 -0.65 115.64 118.78 3dwt s THR 61 Ca 0.66 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3dwt s THR 61 Cb -0.47 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 3dwt s THR 61 CO 0.41 0.13 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.29 3dwt s TYR 62 N -1.19 0.17 0.08 3.99 1.51 -0.62 -4.99 117.35 116.31 3dwt s TYR 62 Ca 0.21 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 3dwt s TYR 62 Cb -0.11 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 3dwt s TYR 62 CO 0.13 -0.09 -0.11 0.71 -1.11 0.00 0.00 175.55 175.08 3dwt s TYR 63 N -0.71 1.09 0.45 2.71 2.02 -1.26 -0.94 117.35 120.71 3dwt s TYR 63 Ca -0.07 -0.56 -0.21 0.00 -0.37 0.00 0.00 57.07 55.85 3dwt s TYR 63 Cb -0.05 -0.60 -0.10 0.00 -0.40 0.00 0.00 41.96 40.81 3dwt s TYR 63 CO -0.00 0.02 0.99 0.00 -1.57 0.00 0.00 175.55 174.99 3dwt s ALA 64 N -1.92 2.98 0.14 3.71 0.00 -0.61 -4.87 121.76 121.20 3dwt s ALA 64 Ca 0.01 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 3dwt s ALA 64 Cb -0.06 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3dwt s ALA 64 CO 0.01 -0.05 1.64 -0.44 0.00 0.00 0.00 175.76 176.92 3dwt h ASP 65 N 1.84 -0.68 0.00 0.00 3.32 -1.93 -2.23 116.42 116.74 3dwt h ASP 65 Ca -0.49 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3dwt h ASP 65 Cb 1.20 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3dwt h ASP 65 CO 0.60 -0.26 0.33 0.77 -1.72 0.00 0.00 179.24 178.96 3dwt h SER 66 N -0.25 0.00 0.00 6.45 4.64 -1.97 -2.52 113.55 119.89 3dwt h SER 66 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3dwt h SER 66 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3dwt h SER 66 CO -0.33 0.00 -0.24 1.33 -0.87 0.00 0.00 176.83 176.72 3dwt n VAL 67 N -2.47 0.00 -1.62 0.95 0.24 -0.88 -4.99 118.33 109.56 3dwt n VAL 67 Ca -0.01 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 3dwt n VAL 67 Cb 0.36 0.93 0.02 0.00 -1.47 0.00 0.00 33.84 33.68 3dwt n VAL 67 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dwt n LYS 68 N -1.12 1.32 0.00 7.34 4.81 -0.95 -1.68 118.16 127.87 3dwt n LYS 68 Ca 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3dwt n LYS 68 Cb 0.04 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3dwt n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dwt n GLY 69 N 1.18 2.39 0.09 3.14 0.00 -1.26 -4.67 105.19 106.05 3dwt n GLY 69 Ca 0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 3dwt n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dwt h ARG 70 N 0.00 0.00 -6.94 1.61 3.08 -1.74 -3.48 114.38 106.91 3dwt h ARG 70 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 3dwt h ARG 70 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dwt h ARG 70 CO 0.00 0.81 0.38 -0.06 -1.07 0.00 0.00 179.97 180.03 3dwt s PHE 71 N -2.30 3.43 -0.31 3.04 0.40 -0.68 -2.77 117.98 118.80 3dwt s PHE 71 Ca -0.25 1.69 -0.01 0.00 -0.60 0.00 0.00 56.93 57.77 3dwt s PHE 71 Cb 0.04 -3.03 0.13 0.00 0.51 0.00 0.00 43.02 40.67 3dwt s PHE 71 CO 0.52 -0.28 0.27 0.99 0.70 0.00 0.00 175.22 177.43 3dwt s THR 72 N -1.69 -0.30 0.29 0.64 2.01 0.35 -4.84 115.64 112.10 3dwt s THR 72 Ca 0.55 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.67 3dwt s THR 72 Cb -0.20 -0.95 -0.09 0.00 0.01 0.00 0.00 72.50 71.27 3dwt s THR 72 CO 0.25 -0.57 0.79 -0.51 -0.69 0.00 0.00 174.62 173.90 3dwt s ILE 73 N 2.10 4.51 0.34 1.82 2.07 -1.25 -2.01 121.20 128.78 3dwt s ILE 73 Ca 0.11 1.33 -0.08 0.00 -1.41 0.00 0.00 60.65 60.60 3dwt s ILE 73 Cb -0.15 -3.80 0.02 0.00 0.13 0.00 0.00 42.46 38.66 3dwt s ILE 73 CO -0.27 0.04 0.57 -0.94 -1.91 0.00 0.00 174.94 172.42 3dwt s SER 74 N -1.86 0.49 0.00 4.50 1.04 0.19 -4.96 113.70 113.10 3dwt s SER 74 Ca 0.49 -1.29 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 3dwt s SER 74 Cb -0.15 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3dwt s SER 74 CO 0.20 -1.39 0.20 0.00 0.98 0.00 0.00 173.24 173.22 3dwt s ARG 75 N -2.98 0.57 -0.44 4.02 1.70 -1.26 -1.00 118.95 119.55 3dwt s ARG 75 Ca 0.25 -0.38 0.02 0.00 -0.47 0.00 0.00 55.73 55.15 3dwt s ARG 75 Cb -0.02 0.24 0.14 0.00 -0.57 0.00 0.00 34.95 34.74 3dwt s ARG 75 CO 0.16 -0.15 0.24 0.34 -1.08 0.00 0.00 175.30 174.81 3dwt s ASP 76 N -1.48 3.63 0.55 -2.89 -1.08 -0.11 -4.99 116.67 110.30 3dwt s ASP 76 Ca -0.13 -2.61 0.25 0.00 -0.52 0.00 0.00 52.55 49.54 3dwt s ASP 76 Cb -0.06 -1.01 1.46 0.00 -1.46 0.00 0.00 42.92 41.85 3dwt s ASP 76 CO 0.02 -0.27 2.06 0.78 0.52 0.00 0.00 175.17 178.28 3dwt h ASN 77 N 6.74 0.00 -0.50 -0.34 2.35 -1.96 0.46 115.58 122.34 3dwt h ASN 77 Ca -0.01 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3dwt h ASN 77 Cb 0.93 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 3dwt h ASN 77 CO 0.47 0.00 -0.14 0.00 -1.65 0.00 0.00 177.43 176.11 3dwt h ALA 78 N 1.79 0.77 -0.21 -0.83 0.00 -1.96 -2.94 119.26 115.88 3dwt h ALA 78 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dwt h ALA 78 Cb 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dwt h ALA 78 CO -0.00 0.67 0.00 1.63 0.00 0.00 0.00 179.25 181.55 3dwt n LYS 79 N -4.13 2.30 -3.82 0.00 5.02 -0.08 -4.97 118.16 112.47 3dwt n LYS 79 Ca 0.01 -1.93 -0.24 0.00 -2.02 0.00 0.00 58.31 54.12 3dwt n LYS 79 Cb 0.42 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3dwt n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dwt n ASN 80 N 1.22 -1.28 -4.04 4.39 4.13 0.14 -4.81 115.26 115.01 3dwt n ASN 80 Ca 0.17 -0.94 -0.16 0.00 1.68 0.00 0.00 54.58 55.33 3dwt n ASN 80 Cb 0.56 -3.48 -0.13 0.00 -1.54 0.00 0.00 39.78 35.19 3dwt n ASN 80 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3dwt s THR 81 N -3.79 0.64 -0.02 3.41 2.01 -0.97 -1.98 115.64 114.94 3dwt s THR 81 Ca 0.06 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3dwt s THR 81 Cb -0.02 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3dwt s THR 81 CO 0.86 -0.04 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.95 3dwt s VAL 82 N -0.66 3.37 -0.05 3.82 1.01 0.05 -0.93 120.40 127.01 3dwt s VAL 82 Ca -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3dwt s VAL 82 Cb -0.06 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3dwt s VAL 82 CO 0.00 0.49 -0.07 -0.89 0.00 0.00 0.00 175.10 174.64 3dwt s THR 83 N -0.86 0.72 -0.29 3.92 2.01 -0.18 -1.14 115.64 119.82 3dwt s THR 83 Ca 0.14 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 3dwt s THR 83 Cb -0.11 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.72 3dwt s THR 83 CO 0.04 0.27 0.02 -0.22 -0.69 0.00 0.00 174.62 174.03 3dwt s LEU 84 N 0.90 3.79 -0.44 4.42 2.96 -0.77 -0.64 118.68 128.90 3dwt s LEU 84 Ca -0.11 -1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.58 3dwt s LEU 84 Cb -0.15 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.83 3dwt s LEU 84 CO 0.01 -0.23 0.36 -1.58 -1.32 0.00 0.00 176.35 173.59 3dwt s GLN 85 N 1.34 3.00 -0.34 1.98 2.00 -0.85 -1.54 119.66 125.25 3dwt s GLN 85 Ca -0.02 -1.08 -0.13 0.00 -2.00 0.00 0.00 55.36 52.13 3dwt s GLN 85 Cb -0.19 -4.03 -0.01 0.00 0.80 0.00 0.00 33.01 29.58 3dwt s GLN 85 CO -0.01 -0.87 0.23 -1.64 -0.50 0.00 0.00 175.29 172.50 3dwt s MET 86 N 1.77 3.44 -0.23 1.67 -1.94 -0.73 -0.50 119.30 122.78 3dwt s MET 86 Ca 0.06 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.26 3dwt s MET 86 Cb -0.20 -3.79 -0.17 0.00 2.01 0.00 0.00 34.83 32.67 3dwt s MET 86 CO 0.10 -0.46 -0.08 0.09 -0.01 0.00 0.00 175.02 174.66 3dwt n ASN 87 N 5.09 1.97 -3.80 3.03 3.02 -1.11 -2.04 115.26 121.43 3dwt n ASN 87 Ca -0.13 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.31 3dwt n ASN 87 Cb 0.49 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 3dwt n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dwt n ASN 88 N -3.90 4.31 -4.74 6.41 2.85 -1.26 -3.90 115.26 115.02 3dwt n ASN 88 Ca -0.44 -3.32 -0.42 0.00 -0.11 0.00 0.00 54.58 50.30 3dwt n ASN 88 Cb 0.90 -0.91 -0.02 0.00 1.24 0.00 0.00 39.78 40.99 3dwt n ASN 88 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3dwt s LEU 89 N -2.10 4.36 0.19 1.20 1.43 -0.99 -4.72 118.68 118.06 3dwt s LEU 89 Ca 0.33 2.83 0.09 0.00 -1.03 0.00 0.00 54.13 56.34 3dwt s LEU 89 Cb 0.04 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3dwt s LEU 89 CO -0.04 -0.84 -0.17 -0.54 0.23 0.00 0.00 176.35 174.98 3dwt s LYS 90 N -0.21 1.35 0.41 1.70 1.02 -1.26 -0.17 119.74 122.58 3dwt s LYS 90 Ca 0.63 -1.52 0.20 0.00 0.02 0.00 0.00 55.97 55.30 3dwt s LYS 90 Cb -0.46 -1.34 1.06 0.00 -0.52 0.00 0.00 37.83 36.57 3dwt s LYS 90 CO 0.44 0.26 1.54 -1.35 -0.92 0.00 0.00 175.35 175.32 3dwt h PRO 91 N 2.90 0.00 0.00 -1.68 0.11 -1.94 0.78 132.00 132.17 3dwt h PRO 91 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dwt h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dwt h PRO 91 CO 0.55 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.27 3dwt h GLU 92 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.80 114.58 115.27 3dwt h GLU 92 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dwt h GLU 92 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3dwt h GLU 92 CO 0.00 0.00 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.26 3dwt h ASP 93 N 0.00 0.00 -1.87 1.42 3.45 -1.22 -3.45 116.42 114.75 3dwt h ASP 93 Ca 0.00 -0.04 -0.60 0.00 0.43 0.00 0.00 57.03 56.82 3dwt h ASP 93 Cb 0.74 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.51 3dwt h ASP 93 CO 0.00 0.02 1.46 0.41 -1.57 0.00 0.00 179.24 179.56 3dwt n THR 94 N -2.38 0.35 -4.03 0.35 -1.04 -1.06 -4.83 114.28 101.64 3dwt n THR 94 Ca 0.05 -0.41 0.04 0.00 -2.04 0.00 0.00 64.05 61.68 3dwt n THR 94 Cb 0.45 -2.41 0.01 0.00 -1.82 0.00 0.00 70.33 66.56 3dwt n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwt n ALA 95 N 11.12 -3.20 -2.67 2.41 0.00 -0.30 -4.65 120.51 123.21 3dwt n ALA 95 Ca 0.31 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 3dwt n ALA 95 Cb 0.41 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3dwt n ALA 95 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3dwt s ILE 96 N -2.01 5.28 -0.17 0.00 2.07 -0.56 -1.00 121.20 124.81 3dwt s ILE 96 Ca 0.27 0.15 -0.13 0.00 -1.41 0.00 0.00 60.65 59.53 3dwt s ILE 96 Cb -0.00 -3.47 -0.05 0.00 0.13 0.00 0.00 42.46 39.07 3dwt s ILE 96 CO -0.02 0.33 0.26 -0.31 -1.91 0.00 0.00 174.94 173.29 3dwt s TYR 97 N 1.18 3.44 -0.02 3.50 1.51 0.72 -1.81 117.35 125.87 3dwt s TYR 97 Ca 0.07 0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 3dwt s TYR 97 Cb -0.14 -2.31 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 3dwt s TYR 97 CO 0.05 0.24 -0.03 0.71 -1.11 0.00 0.00 175.55 175.41 3dwt s TYR 98 N 0.48 2.99 0.06 2.71 2.02 0.37 -0.64 117.35 125.35 3dwt s TYR 98 Ca 0.15 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 3dwt s TYR 98 Cb -0.13 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 3dwt s TYR 98 CO 0.03 0.41 0.23 0.00 -1.57 0.00 0.00 175.55 174.64 3dwt s ALA 100 N -1.51 -0.46 0.05 0.00 0.00 -0.44 -0.85 121.76 118.55 3dwt s ALA 100 Ca 0.35 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 3dwt s ALA 100 Cb -0.13 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3dwt s ALA 100 CO 0.27 -0.33 0.18 0.00 0.00 0.00 0.00 175.76 175.88 3dwt s ALA 101 N -2.19 -0.30 -0.26 0.00 0.00 0.53 -1.43 121.76 118.11 3dwt s ALA 101 Ca -0.08 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 3dwt s ALA 101 Cb -0.03 0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.48 3dwt s ALA 101 CO -0.02 -0.39 0.72 0.54 0.00 0.00 0.00 175.76 176.61 3dwt s VAL 102 N -2.83 0.00 -1.16 0.00 0.11 -0.97 -1.27 120.40 114.27 3dwt s VAL 102 Ca -0.03 -0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 3dwt s VAL 102 Cb 0.00 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 3dwt s VAL 102 CO -0.05 -0.00 1.47 -0.60 -3.33 0.00 0.00 175.10 172.59 3dwt s ARG 103 N 0.35 3.92 0.00 1.54 3.52 -1.26 -0.54 118.95 126.47 3dwt s ARG 103 Ca -0.00 -2.09 0.00 0.00 -0.13 0.00 0.00 55.73 53.50 3dwt s ARG 103 Cb -0.05 -5.21 0.00 0.00 -1.56 0.00 0.00 34.95 28.13 3dwt s ARG 103 CO 0.01 -1.97 0.00 0.41 -0.81 0.00 0.00 175.30 172.94 3dwt n GLY 104 N 5.06 2.19 3.32 8.12 0.00 -0.90 -4.93 105.19 118.04 3dwt n GLY 104 Ca 0.38 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3dwt n GLY 104 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dwt s TYR 105 N -2.59 0.78 -0.15 1.61 5.04 -1.26 -3.74 117.35 117.04 3dwt s TYR 105 Ca 0.00 -1.08 -0.34 0.00 -2.44 0.00 0.00 57.07 53.21 3dwt s TYR 105 Cb 0.00 -0.27 0.13 0.00 0.35 0.00 0.00 41.96 42.17 3dwt s TYR 105 CO 0.00 -0.73 1.18 -0.59 -1.34 0.00 0.00 175.55 174.07 3dwt s PHE 106 N -4.08 -0.14 -0.06 4.97 -0.12 -1.26 -5.07 117.98 112.22 3dwt s PHE 106 Ca 0.29 0.08 0.22 0.00 -0.05 0.00 0.00 56.93 57.46 3dwt s PHE 106 Cb 0.04 0.52 0.43 0.00 -0.63 0.00 0.00 43.02 43.38 3dwt s PHE 106 CO 0.08 -0.25 1.18 0.00 -0.05 0.00 0.00 175.22 176.18 3dwt n MET 107 N -0.15 0.48 -4.21 1.99 0.00 -1.26 -4.78 117.12 109.19 3dwt n MET 107 Ca -0.01 -2.39 -0.14 0.00 0.00 0.00 0.00 57.70 55.15 3dwt n MET 107 Cb 0.59 -0.49 -0.09 0.00 0.00 0.00 0.00 33.22 33.23 3dwt n MET 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3dwt s ARG 108 N -0.97 1.41 -0.05 3.17 3.00 -1.26 -5.10 118.95 119.15 3dwt s ARG 108 Ca 0.35 -1.74 -0.30 0.00 0.00 0.00 0.00 55.73 54.05 3dwt s ARG 108 Cb 0.38 0.30 -0.04 0.00 0.00 0.00 0.00 34.95 35.60 3dwt s ARG 108 CO -0.14 -0.50 1.24 -1.17 0.00 0.00 0.00 175.30 174.74 3dwt s LEU 109 N -3.22 4.28 0.00 2.53 1.98 -1.26 -4.93 118.68 118.06 3dwt s LEU 109 Ca 0.39 1.87 -0.09 0.00 -2.89 0.00 0.00 54.13 53.41 3dwt s LEU 109 Cb 0.05 -3.56 0.13 0.00 0.66 0.00 0.00 46.19 43.47 3dwt s LEU 109 CO 0.17 -0.62 0.46 -2.65 -1.89 0.00 0.00 176.35 171.82 3dwt n PRO 110 N 5.28 -1.85 -4.36 0.98 -0.02 -1.26 -5.11 135.00 128.66 3dwt n PRO 110 Ca 0.11 -0.73 -0.18 0.00 -2.02 0.00 0.00 63.50 60.68 3dwt n PRO 110 Cb 0.46 -0.68 -0.10 0.00 -0.02 0.00 0.00 33.50 33.16 3dwt n PRO 110 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dwt s SER 111 N -2.74 1.63 0.31 2.55 1.04 -1.26 -4.80 113.70 110.43 3dwt s SER 111 Ca 0.30 -1.35 0.08 0.00 0.48 0.00 0.00 55.95 55.45 3dwt s SER 111 Cb -0.03 0.07 0.84 0.00 0.10 0.00 0.00 66.02 66.99 3dwt s SER 111 CO 0.23 -0.66 1.71 0.77 0.98 0.00 0.00 173.24 176.27 3dwt h SER 112 N 2.33 0.52 -0.87 7.02 4.64 -1.96 -0.63 113.55 124.61 3dwt h SER 112 Ca -0.39 0.15 0.25 0.00 -0.47 0.00 0.00 61.79 61.33 3dwt h SER 112 Cb 1.24 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 3dwt h SER 112 CO 0.64 0.04 0.63 0.45 -0.87 0.00 0.00 176.83 177.73 3dwt h HIS 113 N 0.49 0.00 0.00 4.77 3.86 -2.02 -2.35 115.15 119.90 3dwt h HIS 113 Ca 0.62 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.76 3dwt h HIS 113 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 3dwt h HIS 113 CO -0.06 0.00 -0.33 -0.91 0.86 0.00 0.00 177.93 177.49 3dwt h ASN 114 N 0.00 0.00 -2.80 2.45 2.35 -1.51 -3.46 115.58 112.61 3dwt h ASN 114 Ca 0.41 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.57 3dwt h ASN 114 Cb 1.68 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.97 3dwt h ASN 114 CO -0.00 0.33 -0.59 -0.36 -1.65 0.00 0.00 177.43 175.16 3dwt s PHE 115 N -3.54 3.10 -0.06 1.19 0.40 -0.89 -4.75 117.98 113.43 3dwt s PHE 115 Ca 0.01 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 3dwt s PHE 115 Cb 0.10 -1.50 -0.06 0.00 0.51 0.00 0.00 43.02 42.07 3dwt s PHE 115 CO 0.68 0.52 -0.00 2.89 0.70 0.00 0.00 175.22 180.00 3dwt n ARG 116 N -0.19 2.38 -3.60 0.44 1.85 -0.40 -4.96 116.66 112.17 3dwt n ARG 116 Ca -0.09 0.01 -0.37 0.00 -1.00 0.00 0.00 57.85 56.40 3dwt n ARG 116 Cb 0.54 -1.15 -0.07 0.00 -1.05 0.00 0.00 32.46 30.74 3dwt n ARG 116 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3dwt s TYR 117 N -2.14 3.53 0.07 2.89 4.12 -0.65 -4.97 117.35 120.19 3dwt s TYR 117 Ca -0.04 0.64 0.04 0.00 0.02 0.00 0.00 57.07 57.72 3dwt s TYR 117 Cb 0.02 -2.25 -0.03 0.00 -1.52 0.00 0.00 41.96 38.18 3dwt s TYR 117 CO 0.22 0.40 -0.12 -1.58 0.02 0.00 0.00 175.55 174.50 3dwt s TRP 118 N -0.09 1.02 0.89 2.71 0.52 -1.26 -0.35 118.94 122.39 3dwt s TRP 118 Ca 0.17 -0.50 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 3dwt s TRP 118 Cb -0.13 -0.58 0.18 0.00 -1.15 0.00 0.00 33.47 31.79 3dwt s TRP 118 CO 0.05 0.01 1.23 0.20 0.02 0.00 0.00 176.95 178.45 3dwt s GLY 119 N -1.81 1.78 0.00 0.98 0.00 -0.03 -4.46 107.32 103.78 3dwt s GLY 119 Ca -0.03 -1.43 0.27 0.00 0.00 0.00 0.00 44.72 43.53 3dwt s GLY 119 CO 0.01 -0.70 1.68 -1.06 0.00 0.00 0.00 173.10 173.03 3dwt n GLN 120 N -3.49 1.60 0.00 2.90 1.13 -1.26 -4.70 117.38 113.56 3dwt n GLN 120 Ca 0.16 -0.97 0.00 0.00 -1.94 0.00 0.00 57.00 54.24 3dwt n GLN 120 Cb 0.60 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3dwt n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dwt n GLY 121 N 1.21 1.54 2.69 1.08 0.00 -1.26 -5.04 105.19 105.42 3dwt n GLY 121 Ca 0.18 -1.66 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 3dwt n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwt s THR 122 N -2.10 -0.04 0.12 2.61 2.01 0.19 -4.91 115.64 113.52 3dwt s THR 122 Ca 0.00 0.38 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 3dwt s THR 122 Cb 0.00 -0.20 -0.08 0.00 0.01 0.00 0.00 72.50 72.23 3dwt s THR 122 CO 0.00 0.19 1.45 -1.58 -0.69 0.00 0.00 174.62 173.98 3dwt s GLN 123 N 2.09 4.29 -0.11 4.92 2.00 -1.26 -0.20 119.66 131.38 3dwt s GLN 123 Ca 0.04 2.15 -0.01 0.00 -2.00 0.00 0.00 55.36 55.54 3dwt s GLN 123 Cb -0.12 -3.27 0.03 0.00 0.80 0.00 0.00 33.01 30.45 3dwt s GLN 123 CO -0.03 -0.50 -0.05 0.08 -0.50 0.00 0.00 175.29 174.28 3dwt s VAL 124 N 1.28 0.89 -0.17 1.34 1.01 -0.17 -2.17 120.40 122.42 3dwt s VAL 124 Ca 0.66 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3dwt s VAL 124 Cb -0.38 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.05 3dwt s VAL 124 CO 0.30 0.30 -0.15 -0.89 0.00 0.00 0.00 175.10 174.67 3dwt s THR 125 N 1.76 1.71 -0.15 3.92 2.01 -0.65 -1.15 115.64 123.10 3dwt s THR 125 Ca 0.04 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 3dwt s THR 125 Cb -0.13 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 3dwt s THR 125 CO -0.08 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.52 3dwt s VAL 126 N 1.42 3.57 0.09 3.82 1.01 -1.25 0.60 120.40 129.65 3dwt s VAL 126 Ca 0.04 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3dwt s VAL 126 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3dwt s VAL 126 CO -0.11 0.50 -0.09 -0.94 0.00 0.00 0.00 175.10 174.47 3dwt s SER 127 N 0.44 1.23 0.52 3.32 1.04 -0.72 -4.35 113.70 115.18 3dwt s SER 127 Ca -0.06 -0.81 -0.16 0.00 0.48 0.00 0.00 55.95 55.40 3dwt s SER 127 Cb -0.15 0.04 -0.08 0.00 0.10 0.00 0.00 66.02 65.94 3dwt s SER 127 CO 0.04 -0.31 0.99 -0.55 0.98 0.00 0.00 173.24 174.38 3dwt s SER 128 N -2.44 6.60 0.00 7.02 0.15 -1.26 -0.37 113.70 123.39 3dwt s SER 128 Ca 0.04 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.25 3dwt s SER 128 Cb -0.02 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3dwt s SER 128 CO -0.01 -0.61 0.00 -2.11 1.20 0.00 0.00 173.24 171.71