#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlq s SER 2 N 0.00 6.43 -0.10 1.61 0.01 -1.26 -5.05 113.70 115.35 2dlq s SER 2 Ca 0.00 0.44 -0.07 0.00 1.31 0.00 0.00 55.95 57.63 2dlq s SER 2 Cb 0.00 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 2dlq s SER 2 CO 0.00 0.19 -0.13 -0.24 0.41 0.00 0.00 173.24 173.47 2dlq n SER 3 N 0.65 1.19 0.00 2.44 2.88 -1.26 -5.07 113.62 114.45 2dlq n SER 3 Ca -0.08 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2dlq n SER 3 Cb 0.52 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2dlq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlq n GLY 4 N 1.63 -0.08 3.71 0.46 0.00 -1.26 -4.96 105.19 104.69 2dlq n GLY 4 Ca -0.05 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2dlq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dlq n SER 5 N 1.91 -3.45 -3.75 1.61 7.64 -1.26 -4.97 113.62 111.35 2dlq n SER 5 Ca 0.00 -0.73 -0.09 0.00 1.01 0.00 0.00 58.87 59.07 2dlq n SER 5 Cb 0.00 -4.34 -0.03 0.00 -1.01 0.00 0.00 64.21 58.83 2dlq n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dlq s SER 6 N -3.83 -0.08 0.85 6.43 0.15 -1.26 -5.18 113.70 110.79 2dlq s SER 6 Ca 0.33 -0.87 -0.11 0.00 0.70 0.00 0.00 55.95 56.00 2dlq s SER 6 Cb -0.16 0.69 0.14 0.00 -1.71 0.00 0.00 66.02 64.98 2dlq s SER 6 CO 0.79 -1.31 1.19 -0.83 1.20 0.00 0.00 173.24 174.28 2dlq s GLY 7 N -3.00 1.73 0.92 9.45 0.00 -1.26 -5.07 107.32 110.08 2dlq s GLY 7 Ca 0.17 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.62 2dlq s GLY 7 CO 0.09 -0.52 1.25 3.33 0.00 0.00 0.00 173.10 177.25 2dlq n VAL 8 N -3.38 0.00 -3.70 1.40 0.24 -1.11 -4.88 118.33 106.90 2dlq n VAL 8 Ca 0.13 -1.07 -0.14 0.00 -2.04 0.00 0.00 64.34 61.21 2dlq n VAL 8 Cb 0.60 -1.41 -0.08 0.00 -1.47 0.00 0.00 33.84 31.48 2dlq n VAL 8 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2dlq s GLU 9 N -5.72 0.74 -0.31 7.34 2.12 -1.26 -2.59 118.70 119.02 2dlq s GLU 9 Ca 0.73 0.01 -0.22 0.00 0.36 0.00 0.00 54.97 55.84 2dlq s GLU 9 Cb -0.02 0.34 -0.00 0.00 0.26 0.00 0.00 34.13 34.70 2dlq s GLU 9 CO 0.50 -0.20 0.72 0.00 -0.54 0.00 0.00 175.26 175.74 2dlq n PRO 11 N 6.07 0.49 0.04 0.00 -0.04 -1.26 0.79 135.00 141.10 2dlq n PRO 11 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2dlq n PRO 11 Cb 0.48 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2dlq n PRO 11 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2dlq n THR 12 N -0.32 1.00 0.96 0.52 -1.04 -1.26 -4.83 114.28 109.31 2dlq n THR 12 Ca 0.00 0.33 0.10 0.00 -2.04 0.00 0.00 64.05 62.44 2dlq n THR 12 Cb 0.03 -1.54 -0.09 0.00 -1.82 0.00 0.00 70.33 66.91 2dlq n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dlq n HIS 14 N -1.15 -2.12 -3.57 0.00 -0.00 0.24 -4.97 115.22 103.66 2dlq n HIS 14 Ca 0.05 0.79 -0.41 0.00 -0.00 0.00 0.00 57.72 58.15 2dlq n HIS 14 Cb 0.35 -4.28 -0.11 0.00 -0.00 0.00 0.00 29.99 25.95 2dlq n HIS 14 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2dlq s LYS 15 N -5.74 2.82 0.26 -0.41 2.20 -1.25 -4.70 119.74 112.93 2dlq s LYS 15 Ca 0.32 -1.13 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 2dlq s LYS 15 Cb -0.14 -3.80 -0.09 0.00 -1.51 0.00 0.00 37.83 32.29 2dlq s LYS 15 CO 0.58 -0.75 1.01 0.15 -0.36 0.00 0.00 175.35 175.98 2dlq s LYS 16 N 1.56 4.74 0.18 4.03 1.02 -1.26 -2.48 119.74 127.54 2dlq s LYS 16 Ca 0.02 1.63 0.07 0.00 0.02 0.00 0.00 55.97 57.71 2dlq s LYS 16 Cb -0.20 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2dlq s LYS 16 CO 0.07 0.36 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.66 2dlq s PHE 17 N -1.19 1.58 0.06 3.18 0.40 -1.07 -4.97 117.98 115.97 2dlq s PHE 17 Ca 0.43 -0.61 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 2dlq s PHE 17 Cb -0.28 -0.75 -0.07 0.00 0.51 0.00 0.00 43.02 42.42 2dlq s PHE 17 CO 0.36 0.27 1.29 -0.07 0.70 0.00 0.00 175.22 177.77 2dlq h LEU 18 N 2.71 -0.87 -8.69 -0.37 3.38 -1.97 -2.93 115.31 106.57 2dlq h LEU 18 Ca -0.38 0.10 -0.54 0.00 0.09 0.00 0.00 57.88 57.15 2dlq h LEU 18 Cb 1.21 0.33 -0.21 0.00 0.09 0.00 0.00 40.66 42.08 2dlq h LEU 18 CO 0.61 -0.27 -0.81 -0.55 0.09 0.00 0.00 178.44 177.51 2dlq s SER 19 N -3.69 2.53 0.27 -0.43 0.15 -1.26 -4.38 113.70 106.90 2dlq s SER 19 Ca -0.08 -0.72 -0.02 0.00 0.70 0.00 0.00 55.95 55.83 2dlq s SER 19 Cb 0.03 -0.14 0.61 0.00 -1.71 0.00 0.00 66.02 64.81 2dlq s SER 19 CO 0.32 0.03 1.63 0.50 1.20 0.00 0.00 173.24 176.91 2dlq h LYS 20 N 3.91 0.12 -0.90 5.44 1.63 -1.97 0.18 116.57 124.98 2dlq h LYS 20 Ca -0.45 -0.01 0.37 0.00 -0.85 0.00 0.00 60.65 59.71 2dlq h LYS 20 Cb 1.19 -0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 32.64 2dlq h LYS 20 CO 0.42 0.08 0.50 0.98 -3.45 0.00 0.00 179.45 177.98 2dlq n TYR 21 N -5.33 0.96 0.08 1.91 9.36 -1.26 0.26 117.16 123.14 2dlq n TYR 21 Ca 0.18 0.97 -0.16 0.00 3.32 0.00 0.00 57.90 62.21 2dlq n TYR 21 Cb 0.61 -1.39 -0.08 0.00 -0.63 0.00 0.00 39.34 37.85 2dlq n TYR 21 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2dlq h TYR 22 N 0.00 0.72 -0.20 2.98 0.05 -1.04 -2.81 116.97 116.67 2dlq h TYR 22 Ca 0.74 -0.42 -0.05 0.00 0.05 0.00 0.00 58.73 59.05 2dlq h TYR 22 Cb 2.01 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 39.67 2dlq h TYR 22 CO -0.01 1.26 -0.05 1.25 -1.05 0.00 0.00 178.16 179.56 2dlq h LEU 23 N 0.23 0.39 -1.02 3.88 5.85 0.36 0.45 115.31 125.45 2dlq h LEU 23 Ca -0.12 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2dlq h LEU 23 Cb 1.72 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 2dlq h LEU 23 CO 0.19 0.68 0.38 0.07 -0.34 0.00 0.00 178.44 179.41 2dlq h LYS 24 N 0.11 1.07 -0.15 1.25 2.10 -0.49 0.26 116.57 120.71 2dlq h LYS 24 Ca 0.05 -0.14 -0.21 0.00 -2.00 0.00 0.00 60.65 58.35 2dlq h LYS 24 Cb 0.51 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2dlq h LYS 24 CO 0.02 0.81 -0.73 0.28 -2.00 0.00 0.00 179.45 177.83 2dlq h VAL 25 N 1.06 1.30 -0.05 0.07 2.07 -1.41 -3.21 116.25 116.09 2dlq h VAL 25 Ca 0.26 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 2dlq h VAL 25 Cb 0.08 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2dlq h VAL 25 CO -0.04 0.62 -0.06 -0.74 0.02 0.00 0.00 177.57 177.37 2dlq h HIS 26 N 0.49 0.16 -0.91 1.57 -0.00 -0.56 -3.20 115.15 112.70 2dlq h HIS 26 Ca -0.04 -0.05 0.25 0.00 -0.00 0.00 0.00 60.37 60.54 2dlq h HIS 26 Cb 1.34 -0.03 -0.14 0.00 -0.00 0.00 0.00 27.41 28.57 2dlq h HIS 26 CO 0.07 0.61 0.34 -0.97 -0.00 0.00 0.00 177.93 177.99 2dlq h ASN 27 N -0.33 0.18 -0.65 3.26 -1.24 -0.57 -0.07 115.58 116.15 2dlq h ASN 27 Ca 0.01 0.19 0.27 0.00 0.71 0.00 0.00 56.30 57.48 2dlq h ASN 27 Cb 0.59 0.22 -0.11 0.00 0.73 0.00 0.00 38.32 39.74 2dlq h ASN 27 CO 0.02 -0.13 0.36 0.54 -1.29 0.00 0.00 177.43 176.92 2dlq n ARG 28 N -5.16 -0.04 0.13 6.67 1.74 -1.21 0.18 116.66 118.98 2dlq n ARG 28 Ca 0.24 0.88 -0.13 0.00 -0.77 0.00 0.00 57.85 58.07 2dlq n ARG 28 Cb 0.75 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.54 2dlq n ARG 28 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dlq h LYS 29 N 0.00 -0.39 -0.49 5.56 1.57 -1.21 -2.75 116.57 118.85 2dlq h LYS 29 Ca 0.55 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.44 2dlq h LYS 29 Cb 1.46 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.80 2dlq h LYS 29 CO -0.49 -0.26 0.09 0.45 -0.57 0.00 0.00 179.45 178.67 2dlq h HIS 30 N -0.41 0.14 -2.76 -1.35 3.86 0.17 -3.39 115.15 111.40 2dlq h HIS 30 Ca 0.01 0.03 -0.55 0.00 -1.16 0.00 0.00 60.37 58.69 2dlq h HIS 30 Cb 0.39 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2dlq h HIS 30 CO -0.16 -0.01 0.98 0.95 0.86 0.00 0.00 177.93 180.55 2dlq s THR 31 N -6.14 3.86 -0.04 2.45 -4.23 -1.03 -5.00 115.64 105.50 2dlq s THR 31 Ca -0.13 1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 2dlq s THR 31 Cb 0.15 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.33 2dlq s THR 31 CO 0.72 -0.08 0.03 -0.83 -0.54 0.00 0.00 174.62 173.93 2dlq s GLY 32 N 2.62 0.24 0.55 3.99 0.00 -1.26 -4.88 107.32 108.58 2dlq s GLY 32 Ca 0.65 0.16 0.09 0.00 0.00 0.00 0.00 44.72 45.62 2dlq s GLY 32 CO 0.24 1.04 0.73 -0.54 0.00 0.00 0.00 173.10 174.56 2dlq s GLU 33 N 1.66 2.38 0.04 2.90 2.02 -1.26 -5.13 118.70 121.31 2dlq s GLU 33 Ca -0.01 -1.61 0.08 0.00 0.02 0.00 0.00 54.97 53.45 2dlq s GLU 33 Cb -0.13 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 2dlq s GLU 33 CO -0.03 -0.75 -0.24 0.15 0.02 0.00 0.00 175.26 174.41 2dlq s LYS 34 N -4.59 1.63 0.00 1.61 1.02 -1.26 -5.01 119.74 113.15 2dlq s LYS 34 Ca 0.59 -1.01 0.12 0.00 0.02 0.00 0.00 55.97 55.69 2dlq s LYS 34 Cb -0.06 -1.76 0.72 0.00 -0.52 0.00 0.00 37.83 36.21 2dlq s LYS 34 CO 0.37 0.46 1.15 -0.35 -0.92 0.00 0.00 175.35 176.06 2dlq n PRO 35 N 1.88 0.49 -3.79 -1.68 -0.04 -1.26 -4.62 135.00 125.97 2dlq n PRO 35 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 2dlq n PRO 35 Cb 0.52 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 2dlq n PRO 35 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dlq s PHE 36 N -2.00 -0.16 0.07 0.54 0.08 -1.26 -5.09 117.98 110.16 2dlq s PHE 36 Ca 0.18 0.42 -0.19 0.00 0.12 0.00 0.00 56.93 57.47 2dlq s PHE 36 Cb 0.08 -0.01 0.04 0.00 -0.57 0.00 0.00 43.02 42.57 2dlq s PHE 36 CO 0.14 -0.12 0.45 -2.00 -0.10 0.00 0.00 175.22 173.59 2dlq s GLU 37 N 0.56 1.01 -0.36 0.44 2.12 -1.26 -1.70 118.70 119.51 2dlq s GLU 37 Ca -0.04 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 2dlq s GLU 37 Cb -0.06 0.45 0.01 0.00 0.26 0.00 0.00 34.13 34.80 2dlq s GLU 37 CO -0.03 -0.37 1.29 0.00 -0.54 0.00 0.00 175.26 175.61 2dlq n PRO 39 N 7.57 0.49 -0.10 0.00 -0.04 -1.26 0.69 135.00 142.35 2dlq n PRO 39 Ca 0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.43 2dlq n PRO 39 Cb 0.47 -1.41 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 2dlq n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dlq n LYS 40 N -0.91 0.67 0.00 0.54 4.76 -1.26 -4.83 118.16 117.13 2dlq n LYS 40 Ca 0.10 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2dlq n LYS 40 Cb 0.04 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2dlq n LYS 40 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dlq n GLY 42 N 2.80 0.92 3.60 0.00 0.00 0.22 -5.01 105.19 107.72 2dlq n GLY 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2dlq n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dlq s LYS 43 N 0.16 3.94 0.45 1.61 2.47 -1.25 -4.76 119.74 122.37 2dlq s LYS 43 Ca 0.00 -0.34 -0.23 0.00 -1.56 0.00 0.00 55.97 53.84 2dlq s LYS 43 Cb 0.00 -3.40 -0.08 0.00 -1.46 0.00 0.00 37.83 32.89 2dlq s LYS 43 CO 0.00 0.06 1.10 0.00 0.16 0.00 0.00 175.35 176.67 2dlq s TYR 45 N -1.68 -0.84 0.16 0.00 2.02 -0.69 -4.96 117.35 111.37 2dlq s TYR 45 Ca 0.63 1.33 -0.27 0.00 -0.37 0.00 0.00 57.07 58.38 2dlq s TYR 45 Cb -0.24 0.23 0.00 0.00 -0.40 0.00 0.00 41.96 41.56 2dlq s TYR 45 CO 0.29 -0.57 1.56 0.35 -1.57 0.00 0.00 175.55 175.61 2dlq h PHE 46 N 8.17 -1.46 -3.02 2.71 3.57 -1.97 -3.39 116.94 121.56 2dlq h PHE 46 Ca -0.17 0.09 -0.60 0.00 3.53 0.00 0.00 57.97 60.82 2dlq h PHE 46 Cb 1.12 0.72 -0.04 0.00 2.79 0.00 0.00 35.95 40.55 2dlq h PHE 46 CO 0.23 -0.43 -0.41 1.03 -2.23 0.00 0.00 178.31 176.50 2dlq s ARG 47 N -5.75 3.53 -0.06 1.11 1.81 -1.26 -4.81 118.95 113.52 2dlq s ARG 47 Ca -0.14 -0.25 -0.22 0.00 -1.72 0.00 0.00 55.73 53.40 2dlq s ARG 47 Cb 0.12 -2.96 -0.17 0.00 -0.45 0.00 0.00 34.95 31.49 2dlq s ARG 47 CO 0.65 0.56 0.87 -0.22 -0.68 0.00 0.00 175.30 176.48 2dlq h LYS 48 N 3.09 -0.13 -0.83 3.54 3.64 -1.98 -3.20 116.57 120.70 2dlq h LYS 48 Ca -0.46 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2dlq h LYS 48 Cb 1.17 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.91 2dlq h LYS 48 CO 0.73 0.39 -0.46 0.39 -2.27 0.00 0.00 179.45 178.23 2dlq n GLU 49 N -4.85 -0.34 -0.18 1.90 -0.58 -1.26 0.82 120.64 116.15 2dlq n GLU 49 Ca -0.08 1.25 -0.01 0.00 -0.42 0.00 0.00 57.16 57.91 2dlq n GLU 49 Cb 0.29 -1.85 0.09 0.00 -0.57 0.00 0.00 31.44 29.40 2dlq n GLU 49 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2dlq h ASN 50 N 0.00 0.08 0.07 1.62 -1.24 -1.99 -2.22 115.58 111.90 2dlq h ASN 50 Ca 0.16 0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.27 2dlq h ASN 50 Cb 0.37 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 2dlq h ASN 50 CO -0.79 0.06 -0.15 0.25 -1.29 0.00 0.00 177.43 175.51 2dlq h LEU 51 N 0.30 -0.42 -1.00 0.34 5.85 0.43 -2.04 115.31 118.77 2dlq h LEU 51 Ca 0.28 0.05 0.28 0.00 0.84 0.00 0.00 57.88 59.33 2dlq h LEU 51 Cb 0.38 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.44 2dlq h LEU 51 CO -0.34 -0.22 0.57 -0.07 -0.34 0.00 0.00 178.44 178.04 2dlq h LEU 52 N -0.29 0.58 0.40 2.25 3.38 -0.12 -2.07 115.31 119.44 2dlq h LEU 52 Ca 0.03 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2dlq h LEU 52 Cb 0.32 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2dlq h LEU 52 CO -0.10 -0.01 -0.19 -0.33 0.09 0.00 0.00 178.44 177.91 2dlq h GLU 53 N 0.46 -0.51 -0.81 1.13 5.08 -1.01 -3.18 114.58 115.73 2dlq h GLU 53 Ca 0.68 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.26 2dlq h GLU 53 Cb 1.40 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.62 2dlq h GLU 53 CO -0.54 -0.34 -0.12 1.58 -1.00 0.00 0.00 179.01 178.59 2dlq n HIS 54 N -3.69 0.38 -0.34 4.33 -0.00 -0.83 0.11 115.22 115.18 2dlq n HIS 54 Ca -0.07 0.98 0.17 0.00 -0.00 0.00 0.00 57.72 58.80 2dlq n HIS 54 Cb 0.21 -1.02 0.33 0.00 -0.00 0.00 0.00 29.99 29.51 2dlq n HIS 54 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2dlq h GLU 55 N 0.00 0.01 0.06 1.57 5.08 -1.41 0.49 114.58 120.37 2dlq h GLU 55 Ca 0.43 -0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.44 2dlq h GLU 55 Cb 0.75 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2dlq h GLU 55 CO -0.80 0.00 -1.98 0.00 -1.00 0.00 0.00 179.01 175.23 2dlq n ALA 56 N -3.03 1.00 0.19 3.43 0.00 0.31 -4.53 120.51 117.87 2dlq n ALA 56 Ca 0.25 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 2dlq n ALA 56 Cb 0.83 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 2dlq n ALA 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2dlq h ARG 57 N -0.31 -0.67 -3.19 0.00 9.65 0.51 -3.45 114.38 116.92 2dlq h ARG 57 Ca -0.47 0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.32 2dlq h ARG 57 Cb 1.79 0.15 -0.22 0.00 -1.39 0.00 0.00 29.97 30.30 2dlq h ARG 57 CO -0.07 -0.44 -0.39 0.54 2.80 0.00 0.00 179.97 182.41 2dlq s ASN 58 N -3.80 -0.16 -0.30 -3.80 2.20 0.16 -5.02 114.94 104.22 2dlq s ASN 58 Ca -0.13 0.17 -0.09 0.00 -0.94 0.00 0.00 52.86 51.87 2dlq s ASN 58 Cb 0.03 0.37 0.18 0.00 -2.00 0.00 0.00 41.25 39.83 2dlq s ASN 58 CO 0.43 -0.29 0.87 0.00 -2.94 0.00 0.00 177.10 175.17 2dlq n MET 60 N 5.37 -2.72 -1.54 0.00 2.81 -1.26 -4.72 117.12 115.06 2dlq n MET 60 Ca -0.06 0.33 -0.38 0.00 -1.81 0.00 0.00 57.70 55.79 2dlq n MET 60 Cb 0.52 -4.92 -0.06 0.00 -0.71 0.00 0.00 33.22 28.05 2dlq n MET 60 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2dlq n ASN 61 N -2.67 1.77 -3.66 7.83 4.13 -1.26 -2.86 115.26 118.55 2dlq n ASN 61 Ca 0.03 -0.32 -0.27 0.00 1.68 0.00 0.00 54.58 55.69 2dlq n ASN 61 Cb 0.51 -1.41 -0.06 0.00 -1.54 0.00 0.00 39.78 37.29 2dlq n ASN 61 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2dlq n ARG 62 N 8.86 -0.85 -3.97 3.52 0.63 -1.26 -4.86 116.66 118.73 2dlq n ARG 62 Ca 0.45 0.09 -0.36 0.00 -0.92 0.00 0.00 57.85 57.10 2dlq n ARG 62 Cb 0.41 -3.04 -0.07 0.00 0.45 0.00 0.00 32.46 30.20 2dlq n ARG 62 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2dlq s SER 63 N -2.97 6.05 0.57 6.15 0.01 -1.13 -5.10 113.70 117.27 2dlq s SER 63 Ca 0.41 0.33 -0.14 0.00 1.31 0.00 0.00 55.95 57.87 2dlq s SER 63 Cb -0.24 -1.94 -0.06 0.00 0.21 0.00 0.00 66.02 63.99 2dlq s SER 63 CO 0.71 0.35 1.01 -1.61 0.41 0.00 0.00 173.24 174.11 2dlq s GLU 64 N -0.68 3.77 -0.69 12.44 0.41 -1.26 -4.99 118.70 127.70 2dlq s GLU 64 Ca 0.12 0.86 -0.26 0.00 -0.41 0.00 0.00 54.97 55.29 2dlq s GLU 64 Cb -0.12 -2.11 0.04 0.00 -1.78 0.00 0.00 34.13 30.17 2dlq s GLU 64 CO 0.02 -0.43 1.16 -1.14 -0.49 0.00 0.00 175.26 174.39 2dlq s GLN 65 N -4.61 3.21 0.65 1.61 0.74 -1.26 -5.01 119.66 114.98 2dlq s GLN 65 Ca 0.57 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.59 2dlq s GLN 65 Cb -0.11 -4.17 0.07 0.00 1.10 0.00 0.00 33.01 29.90 2dlq s GLN 65 CO 0.42 -1.96 0.92 0.14 -0.55 0.00 0.00 175.29 174.26 2dlq s VAL 66 N 5.06 2.41 0.12 1.34 -7.23 -1.26 -4.72 120.40 116.12 2dlq s VAL 66 Ca 0.32 -0.49 0.09 0.00 -1.81 0.00 0.00 61.98 60.08 2dlq s VAL 66 Cb -0.11 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2dlq s VAL 66 CO 0.15 0.00 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.41 2dlq s PHE 67 N -3.04 2.55 -0.12 2.82 0.40 0.17 -4.91 117.98 115.85 2dlq s PHE 67 Ca 0.60 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2dlq s PHE 67 Cb -0.09 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 2dlq s PHE 67 CO 0.42 0.40 -0.15 0.99 0.70 0.00 0.00 175.22 177.58 2dlq s THR 68 N -1.20 2.89 1.27 0.64 2.01 -1.26 -1.35 115.64 118.65 2dlq s THR 68 Ca 0.19 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 2dlq s THR 68 Cb -0.10 -2.19 0.32 0.00 0.01 0.00 0.00 72.50 70.54 2dlq s THR 68 CO 0.11 0.54 0.98 0.00 -0.69 0.00 0.00 174.62 175.56 2dlq n SER 70 N -5.25 2.12 0.00 0.00 2.88 -1.26 -3.89 113.62 108.22 2dlq n SER 70 Ca 0.05 -1.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 2dlq n SER 70 Cb 0.56 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2dlq n SER 70 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2dlq n VAL 71 N 0.18 0.00 0.29 2.46 0.31 -1.26 -4.85 118.33 115.46 2dlq n VAL 71 Ca 0.05 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.42 2dlq n VAL 71 Cb 0.27 -1.01 0.02 0.00 -0.91 0.00 0.00 33.84 32.21 2dlq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dlq n GLN 73 N 0.10 -7.10 -0.37 0.00 1.13 -1.25 -4.91 117.38 104.97 2dlq n GLN 73 Ca 0.03 0.77 -0.20 0.00 -1.94 0.00 0.00 57.00 55.66 2dlq n GLN 73 Cb 0.16 -5.77 0.18 0.00 0.11 0.00 0.00 30.24 24.92 2dlq n GLN 73 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2dlq n GLU 74 N -4.86 -3.31 -4.34 -1.09 4.07 -1.26 -4.37 120.64 105.47 2dlq n GLU 74 Ca 0.01 -1.05 -0.26 0.00 -0.06 0.00 0.00 57.16 55.80 2dlq n GLU 74 Cb 0.55 -1.19 -0.17 0.00 -0.06 0.00 0.00 31.44 30.58 2dlq n GLU 74 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2dlq s THR 75 N -1.97 1.21 -0.10 6.31 -4.23 -1.26 -2.55 115.64 113.06 2dlq s THR 75 Ca 0.46 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2dlq s THR 75 Cb -0.06 -1.14 0.02 0.00 1.34 0.00 0.00 72.50 72.66 2dlq s THR 75 CO 0.37 0.38 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.41 2dlq s PHE 76 N 1.07 1.30 0.49 3.99 0.40 -0.46 -4.92 117.98 119.84 2dlq s PHE 76 Ca -0.06 -0.60 0.19 0.00 -0.60 0.00 0.00 56.93 55.86 2dlq s PHE 76 Cb -0.15 -1.12 1.23 0.00 0.51 0.00 0.00 43.02 43.50 2dlq s PHE 76 CO -0.01 -0.45 2.01 0.07 0.70 0.00 0.00 175.22 177.53 2dlq h ARG 77 N 8.11 0.16 -5.38 0.44 -0.00 -1.89 0.49 114.38 116.31 2dlq h ARG 77 Ca -0.28 -0.01 -0.64 0.00 -0.00 0.00 0.00 59.98 59.05 2dlq h ARG 77 Cb 1.13 -0.04 -0.13 0.00 -0.00 0.00 0.00 29.97 30.94 2dlq h ARG 77 CO 0.38 0.11 -0.56 1.03 -0.00 0.00 0.00 179.97 180.94 2dlq s ARG 78 N -5.18 2.06 -0.15 0.08 0.52 -1.26 -4.51 118.95 110.51 2dlq s ARG 78 Ca -0.06 -2.25 -0.16 0.00 -0.52 0.00 0.00 55.73 52.74 2dlq s ARG 78 Cb 0.19 -1.49 -0.13 0.00 0.52 0.00 0.00 34.95 34.04 2dlq s ARG 78 CO 0.73 -0.23 0.24 -0.09 0.02 0.00 0.00 175.30 175.97 2dlq h ARG 79 N 1.59 0.00 -0.81 3.54 9.65 -1.93 -3.35 114.38 123.06 2dlq h ARG 79 Ca -0.43 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 58.62 2dlq h ARG 79 Cb 1.28 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.71 2dlq h ARG 79 CO 0.76 0.56 -0.12 1.98 2.80 0.00 0.00 179.97 185.95 2dlq h MET 80 N -1.00 0.03 -0.69 0.20 4.05 -1.98 0.19 114.93 115.73 2dlq h MET 80 Ca -0.09 -0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.47 2dlq h MET 80 Cb 0.74 -0.01 -0.12 0.00 -0.80 0.00 0.00 31.60 31.42 2dlq h MET 80 CO -0.06 0.02 -0.02 0.93 0.23 0.00 0.00 176.91 178.01 2dlq h GLU 81 N 0.03 0.09 -0.78 0.39 4.39 -1.98 0.13 114.58 116.86 2dlq h GLU 81 Ca 0.41 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.20 2dlq h GLU 81 Cb 0.69 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 2dlq h GLU 81 CO -0.79 0.06 0.43 1.25 -1.16 0.00 0.00 179.01 178.80 2dlq h LEU 82 N 0.10 0.61 -0.43 1.33 5.85 -0.76 -1.45 115.31 120.54 2dlq h LEU 82 Ca 0.37 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.16 2dlq h LEU 82 Cb 0.61 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2dlq h LEU 82 CO -0.61 0.35 0.24 0.03 -0.34 0.00 0.00 178.44 178.11 2dlq h ARG 83 N 0.73 0.48 0.00 1.25 2.47 -0.51 0.90 114.38 119.70 2dlq h ARG 83 Ca 0.37 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2dlq h ARG 83 Cb 0.34 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2dlq h ARG 83 CO -0.25 0.32 0.00 1.28 0.56 0.00 0.00 179.97 181.88 2dlq n LEU 84 N -4.86 0.47 -0.03 3.04 4.77 -0.73 -2.82 117.00 116.83 2dlq n LEU 84 Ca 0.02 0.62 -0.22 0.00 -0.03 0.00 0.00 56.01 56.41 2dlq n LEU 84 Cb 0.08 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.47 2dlq n LEU 84 CO 0.32 -0.50 -0.72 1.57 -1.33 0.00 0.00 177.39 176.73 2dlq n HIS 85 N -2.02 1.17 -0.28 -1.77 -0.00 -0.18 -4.08 115.22 108.05 2dlq n HIS 85 Ca 0.02 0.32 0.32 0.00 0.46 0.00 0.00 57.72 58.84 2dlq n HIS 85 Cb 0.20 -1.14 0.71 0.00 -0.12 0.00 0.00 29.99 29.64 2dlq n HIS 85 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2dlq h MET 86 N -0.30 0.06 -0.98 1.57 2.86 -0.74 0.19 114.93 117.58 2dlq h MET 86 Ca -0.40 -0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.48 2dlq h MET 86 Cb 1.78 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 33.36 2dlq h MET 86 CO -0.02 0.04 0.65 -0.39 1.06 0.00 0.00 176.91 178.25 2dlq h VAL 87 N 0.06 0.58 0.00 -2.22 -1.51 -1.71 0.59 116.25 112.05 2dlq h VAL 87 Ca 0.53 -0.11 -0.05 0.00 -1.23 0.00 0.00 66.70 65.84 2dlq h VAL 87 Cb 2.01 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2dlq h VAL 87 CO -0.05 0.06 -0.26 -1.28 -1.23 0.00 0.00 177.57 174.81 2dlq h SER 88 N 0.31 0.00 0.00 4.19 0.87 -0.85 0.93 113.55 118.99 2dlq h SER 88 Ca 0.52 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 61.01 2dlq h SER 88 Cb 1.47 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 2dlq h SER 88 CO -0.18 0.26 -0.46 0.45 -0.53 0.00 0.00 176.83 176.37 2dlq h HIS 89 N 0.00 0.00 -0.31 2.24 3.86 -0.02 -3.39 115.15 117.54 2dlq h HIS 89 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 2dlq h HIS 89 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2dlq h HIS 89 CO 0.00 0.67 -0.24 0.00 0.86 0.00 0.00 177.93 179.22 2dlq h THR 90 N -1.00 1.30 0.00 2.45 1.03 -1.13 -3.48 112.91 112.07 2dlq h THR 90 Ca -0.10 -1.38 0.00 0.00 -0.01 0.00 0.00 66.41 64.92 2dlq h THR 90 Cb 0.73 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2dlq h THR 90 CO -0.06 0.45 0.00 0.61 -0.01 0.00 0.00 175.52 176.51 2dlq n GLY 91 N 0.08 2.45 3.62 2.99 0.00 0.32 -5.07 105.19 109.58 2dlq n GLY 91 Ca -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 2dlq n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dlq s GLU 92 N 0.00 0.81 0.57 1.61 1.03 -1.09 -4.56 118.70 117.07 2dlq s GLU 92 Ca 0.00 -0.38 -0.17 0.00 0.03 0.00 0.00 54.97 54.45 2dlq s GLU 92 Cb 0.00 0.32 -0.05 0.00 -0.80 0.00 0.00 34.13 33.60 2dlq s GLU 92 CO 0.00 -0.37 1.05 -1.64 -1.33 0.00 0.00 175.26 172.98 2dlq s MET 93 N -2.98 3.43 -0.01 -4.83 -1.94 -1.26 -4.91 119.30 106.80 2dlq s MET 93 Ca 0.09 1.24 -0.25 0.00 -1.71 0.00 0.00 55.69 55.07 2dlq s MET 93 Cb -0.00 -2.05 -0.19 0.00 2.01 0.00 0.00 34.83 34.60 2dlq s MET 93 CO -0.04 -0.73 1.28 -1.00 -0.01 0.00 0.00 175.02 174.53 2dlq h PRO 94 N 0.69 0.07 -6.93 2.03 0.13 -1.88 -3.45 132.00 122.66 2dlq h PRO 94 Ca -0.47 -0.04 -0.48 0.00 -0.87 0.00 0.00 66.00 64.13 2dlq h PRO 94 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dlq h PRO 94 CO 0.58 0.54 0.20 0.71 -0.23 0.00 0.00 178.00 179.79 2dlq s TYR 95 N -4.26 3.43 0.05 1.56 2.02 0.11 -4.94 117.35 115.32 2dlq s TYR 95 Ca -0.16 1.24 -0.20 0.00 -0.37 0.00 0.00 57.07 57.58 2dlq s TYR 95 Cb 0.02 -2.58 0.04 0.00 -0.40 0.00 0.00 41.96 39.04 2dlq s TYR 95 CO 0.69 -0.13 0.47 0.15 -1.57 0.00 0.00 175.55 175.16 2dlq s LYS 96 N -3.67 1.00 0.46 -0.62 1.02 -1.26 -1.01 119.74 115.65 2dlq s LYS 96 Ca 0.55 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.18 2dlq s LYS 96 Cb -0.10 0.45 0.10 0.00 -0.52 0.00 0.00 37.83 37.75 2dlq s LYS 96 CO 0.27 -0.36 0.63 0.00 -0.92 0.00 0.00 175.35 174.97 2dlq n SER 98 N -3.10 1.49 0.01 0.00 2.88 -1.26 -4.10 113.62 109.54 2dlq n SER 98 Ca 0.09 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.51 2dlq n SER 98 Cb 0.34 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.70 2dlq n SER 98 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dlq h SER 99 N 0.00 -0.06 0.06 -3.46 0.02 -1.89 -3.35 113.55 104.87 2dlq h SER 99 Ca 0.00 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 2dlq h SER 99 Cb 0.81 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2dlq h SER 99 CO 0.00 0.42 -2.00 0.00 -1.14 0.00 0.00 176.83 174.11 2dlq n SER 101 N -2.37 -2.62 -3.08 0.00 7.64 -1.26 -4.99 113.62 106.94 2dlq n SER 101 Ca -0.09 0.03 -0.12 0.00 1.01 0.00 0.00 58.87 59.71 2dlq n SER 101 Cb 0.67 -1.63 0.11 0.00 -1.01 0.00 0.00 64.21 62.36 2dlq n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dlq n GLN 102 N -1.86 -3.08 -4.01 1.43 6.02 -1.26 -4.40 117.38 110.21 2dlq n GLN 102 Ca -0.06 -0.56 -0.08 0.00 -0.01 0.00 0.00 57.00 56.28 2dlq n GLN 102 Cb 0.45 -0.72 -0.11 0.00 1.02 0.00 0.00 30.24 30.88 2dlq n GLN 102 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2dlq s GLN 103 N -3.80 0.39 0.08 -1.09 -0.21 -1.26 -1.42 119.66 112.35 2dlq s GLN 103 Ca 0.26 -0.77 -0.25 0.00 0.02 0.00 0.00 55.36 54.62 2dlq s GLN 103 Cb -0.04 0.14 0.06 0.00 1.00 0.00 0.00 33.01 34.17 2dlq s GLN 103 CO 0.21 -0.07 0.59 -0.06 -2.12 0.00 0.00 175.29 173.85 2dlq s PHE 104 N -2.11 -0.53 -0.03 0.91 0.40 -0.18 -4.91 117.98 111.53 2dlq s PHE 104 Ca -0.10 0.55 0.19 0.00 -0.60 0.00 0.00 56.93 56.97 2dlq s PHE 104 Cb -0.05 0.46 -0.29 0.00 0.51 0.00 0.00 43.02 43.65 2dlq s PHE 104 CO -0.03 -0.74 0.40 -1.33 0.70 0.00 0.00 175.22 174.22 2dlq n MET 105 N 0.14 0.57 -4.77 0.44 2.81 -1.26 0.06 117.12 115.10 2dlq n MET 105 Ca -0.18 -0.17 -0.31 0.00 -1.81 0.00 0.00 57.70 55.24 2dlq n MET 105 Cb 0.62 -1.44 -0.14 0.00 -0.71 0.00 0.00 33.22 31.55 2dlq n MET 105 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2dlq s GLN 106 N -3.27 1.96 0.09 0.03 -0.21 -1.26 -4.78 119.66 112.22 2dlq s GLN 106 Ca -0.07 -1.04 -0.33 0.00 0.02 0.00 0.00 55.36 53.95 2dlq s GLN 106 Cb 0.12 -2.10 -0.15 0.00 1.00 0.00 0.00 33.01 31.88 2dlq s GLN 106 CO 0.77 0.53 1.60 -0.22 -2.12 0.00 0.00 175.29 175.85 2dlq h LYS 107 N 4.66 -0.81 -0.93 2.91 3.64 -2.00 -2.15 116.57 121.89 2dlq h LYS 107 Ca -0.47 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.14 2dlq h LYS 107 Cb 1.15 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 2dlq h LYS 107 CO 0.46 -0.54 0.60 1.57 -2.27 0.00 0.00 179.45 179.26 2dlq h LYS 108 N -0.84 0.59 -0.94 1.90 2.10 -1.98 0.12 116.57 117.52 2dlq h LYS 108 Ca -0.04 -0.04 0.09 0.00 -2.00 0.00 0.00 60.65 58.66 2dlq h LYS 108 Cb 0.73 -0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 31.86 2dlq h LYS 108 CO -0.03 0.39 0.61 0.22 -2.00 0.00 0.00 179.45 178.63 2dlq h ASP 109 N 0.61 0.89 0.00 7.07 3.58 -1.81 0.15 116.42 126.92 2dlq h ASP 109 Ca 0.49 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 2dlq h ASP 109 Cb 0.93 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 2dlq h ASP 109 CO -0.24 0.53 -0.25 0.25 -2.88 0.00 0.00 179.24 176.65 2dlq h LEU 110 N 0.99 0.00 -0.60 2.28 5.85 -0.61 -2.98 115.31 120.24 2dlq h LEU 110 Ca 0.43 -0.30 0.12 0.00 0.84 0.00 0.00 57.88 58.97 2dlq h LEU 110 Cb 0.35 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.27 2dlq h LEU 110 CO -0.19 0.79 -0.14 1.56 -0.34 0.00 0.00 178.44 180.12 2dlq h GLN 111 N -1.00 0.01 -0.77 1.25 4.20 -0.91 0.92 115.11 118.81 2dlq h GLN 111 Ca -0.04 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2dlq h GLN 111 Cb 0.49 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2dlq h GLN 111 CO -0.02 0.01 0.30 1.03 -0.67 0.00 0.00 178.83 179.47 2dlq h SER 112 N 0.01 1.06 -0.94 1.46 0.87 -0.86 -0.80 113.55 114.35 2dlq h SER 112 Ca 0.29 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2dlq h SER 112 Cb 0.45 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2dlq h SER 112 CO -0.61 0.95 0.62 -0.74 -0.53 0.00 0.00 176.83 176.52 2dlq h HIS 113 N 1.12 1.18 0.00 2.24 -0.00 -0.74 0.26 115.15 119.21 2dlq h HIS 113 Ca 0.26 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.51 2dlq h HIS 113 Cb 0.22 -0.40 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 2dlq h HIS 113 CO 0.02 0.74 -0.68 0.52 -0.00 0.00 0.00 177.93 178.54 2dlq h MET 114 N 1.27 0.00 0.00 5.26 2.07 -0.69 0.10 114.93 122.95 2dlq h MET 114 Ca 0.34 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.82 2dlq h MET 114 Cb -0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.56 2dlq h MET 114 CO -0.08 0.68 -0.72 0.82 1.07 0.00 0.00 176.91 178.68 2dlq h ILE 115 N 0.00 1.29 0.00 -1.22 2.04 -0.39 -0.97 117.51 118.25 2dlq h ILE 115 Ca -0.01 -2.70 -0.10 0.00 1.00 0.00 0.00 64.86 63.06 2dlq h ILE 115 Cb 1.29 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 2dlq h ILE 115 CO 0.09 0.71 -0.85 0.29 0.00 0.00 0.00 178.15 178.38 2dlq n LYS 116 N -3.34 0.50 -0.01 2.37 4.01 0.85 -3.51 118.16 119.02 2dlq n LYS 116 Ca 0.01 0.53 -0.09 0.00 -0.51 0.00 0.00 58.31 58.24 2dlq n LYS 116 Cb 0.80 -1.70 -0.08 0.00 -0.51 0.00 0.00 35.03 33.55 2dlq n LYS 116 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2dlq h LEU 117 N -1.00 -0.08 -3.30 -0.35 3.38 -0.95 -3.30 115.31 109.70 2dlq h LEU 117 Ca -0.14 -0.49 -0.32 0.00 0.09 0.00 0.00 57.88 57.02 2dlq h LEU 117 Cb 0.84 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 2dlq h LEU 117 CO -0.09 0.61 0.41 1.41 0.09 0.00 0.00 178.44 180.87 2dlq n HIS 118 N -4.79 1.69 -0.11 1.13 8.25 -0.46 -4.58 115.22 116.34 2dlq n HIS 118 Ca -0.07 -1.66 -0.06 0.00 -0.26 0.00 0.00 57.72 55.68 2dlq n HIS 118 Cb 0.28 -0.82 0.01 0.00 1.12 0.00 0.00 29.99 30.57 2dlq n HIS 118 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dlq h SER 119 N 1.04 -0.67 -0.98 0.41 0.87 -1.36 -3.42 113.55 109.44 2dlq h SER 119 Ca 0.33 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2dlq h SER 119 Cb 1.44 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2dlq h SER 119 CO 0.72 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.41 2dlq n GLY 120 N -1.37 -0.33 3.74 5.77 0.00 -1.26 -4.97 105.19 106.77 2dlq n GLY 120 Ca 0.02 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 2dlq n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlq s PRO 121 N -0.45 4.41 -0.30 1.61 0.04 -1.26 -5.02 135.00 134.04 2dlq s PRO 121 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 2dlq s PRO 121 Cb 0.00 -3.18 0.17 0.00 0.04 0.00 0.00 34.50 31.54 2dlq s PRO 121 CO 0.00 -0.19 1.10 0.45 0.04 0.00 0.00 177.00 178.40 2dlq s SER 122 N 0.09 -0.34 0.04 6.66 0.15 -1.26 -5.10 113.70 113.93 2dlq s SER 122 Ca 0.54 0.51 -0.18 0.00 0.70 0.00 0.00 55.95 57.53 2dlq s SER 122 Cb -0.36 1.26 0.04 0.00 -1.71 0.00 0.00 66.02 65.24 2dlq s SER 122 CO 0.41 -0.08 0.41 -0.55 1.20 0.00 0.00 173.24 174.63 2dlq s SER 123 N 1.66 -0.28 0.00 5.45 0.15 -1.26 -4.87 113.70 114.55 2dlq s SER 123 Ca -0.06 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2dlq s SER 123 Cb -0.03 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2dlq s SER 123 CO -0.14 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.26