#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlq n SER 2 N 0.00 2.77 -0.07 1.61 2.88 -1.26 -4.87 113.62 114.68 2dlq n SER 2 Ca 0.00 0.98 -0.06 0.00 -1.33 0.00 0.00 58.87 58.46 2dlq n SER 2 Cb 0.00 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 2dlq n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dlq n SER 3 N 6.29 1.52 -0.66 -3.46 2.88 -1.26 -5.11 113.62 113.82 2dlq n SER 3 Ca 0.26 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2dlq n SER 3 Cb 0.20 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 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 1.53 -1.20 0.40 0.46 0.00 -1.26 -4.97 105.19 100.16 2dlq n GLY 4 Ca -0.09 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2dlq n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dlq h SER 5 N 0.00 -1.27 -5.51 1.61 4.64 -1.99 -3.47 113.55 107.56 2dlq h SER 5 Ca 0.00 0.16 0.21 0.00 -0.47 0.00 0.00 61.79 61.69 2dlq h SER 5 Cb 0.00 0.50 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 2dlq h SER 5 CO 0.00 -0.45 0.65 -0.55 -0.87 0.00 0.00 176.83 175.62 2dlq s SER 6 N -4.82 -0.03 0.32 4.97 0.15 -1.26 -5.19 113.70 107.83 2dlq s SER 6 Ca -0.16 -0.49 -0.03 0.00 0.70 0.00 0.00 55.95 55.97 2dlq s SER 6 Cb 0.09 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2dlq s SER 6 CO 0.64 -0.78 0.43 -0.83 1.20 0.00 0.00 173.24 173.89 2dlq s GLY 7 N -3.35 1.45 0.44 9.45 0.00 -1.26 -4.84 107.32 109.21 2dlq s GLY 7 Ca 0.21 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.49 2dlq s GLY 7 CO 0.03 -1.03 0.60 -1.34 0.00 0.00 0.00 173.10 171.35 2dlq s VAL 8 N -3.30 2.92 -0.01 1.40 -7.23 -0.99 -4.92 120.40 108.28 2dlq s VAL 8 Ca 0.31 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 2dlq s VAL 8 Cb 0.00 -2.95 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 2dlq s VAL 8 CO 0.19 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.24 2dlq s GLU 9 N -4.40 0.37 -0.35 4.82 2.12 -1.26 -1.79 118.70 118.21 2dlq s GLU 9 Ca 0.56 -0.15 -0.20 0.00 0.36 0.00 0.00 54.97 55.53 2dlq s GLU 9 Cb -0.10 -0.36 -0.00 0.00 0.26 0.00 0.00 34.13 33.93 2dlq s GLU 9 CO 0.34 0.08 0.63 0.00 -0.54 0.00 0.00 175.26 175.77 2dlq n PRO 11 N 5.99 0.49 -0.10 0.00 -0.04 -1.26 0.95 135.00 141.03 2dlq n PRO 11 Ca -0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 2dlq n PRO 11 Cb 0.49 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.72 1.45 -0.59 0.52 -1.04 -1.26 -4.72 114.28 107.93 2dlq n THR 12 Ca 0.05 -0.01 0.06 0.00 -2.04 0.00 0.00 64.05 62.11 2dlq n THR 12 Cb 0.02 -2.14 0.12 0.00 -1.82 0.00 0.00 70.33 66.51 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 -0.69 -1.32 -3.15 0.00 -0.00 0.27 -4.90 115.22 105.43 2dlq n HIS 14 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.41 2dlq n HIS 14 Cb 0.53 -2.72 -0.07 0.00 -0.00 0.00 0.00 29.99 27.73 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 -4.84 3.59 0.62 -0.41 2.20 -1.22 -4.66 119.74 115.02 2dlq s LYS 15 Ca 0.00 -0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.43 2dlq s LYS 15 Cb 0.00 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 2dlq s LYS 15 CO 0.00 -0.76 1.00 0.15 -0.36 0.00 0.00 175.35 175.38 2dlq s LYS 16 N 2.64 3.29 0.20 4.03 1.02 -1.26 -1.71 119.74 127.96 2dlq s LYS 16 Ca 0.22 0.49 -0.05 0.00 0.02 0.00 0.00 55.97 56.66 2dlq s LYS 16 Cb -0.15 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2dlq s LYS 16 CO 0.15 -0.67 0.23 -0.06 -0.92 0.00 0.00 175.35 174.08 2dlq s PHE 17 N -3.15 0.88 0.07 3.18 0.40 -0.74 -4.95 117.98 113.67 2dlq s PHE 17 Ca 0.55 -1.16 -0.28 0.00 -0.60 0.00 0.00 56.93 55.44 2dlq s PHE 17 Cb -0.11 -0.32 -0.17 0.00 0.51 0.00 0.00 43.02 42.93 2dlq s PHE 17 CO 0.51 -0.73 1.62 -0.07 0.70 0.00 0.00 175.22 177.25 2dlq h LEU 18 N 2.54 -0.38 -8.25 -0.37 4.07 -1.91 -2.63 115.31 108.37 2dlq h LEU 18 Ca -0.33 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.48 2dlq h LEU 18 Cb 1.24 0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.96 2dlq h LEU 18 CO 0.48 -0.23 -0.36 -0.55 -1.08 0.00 0.00 178.44 176.70 2dlq s SER 19 N -4.84 0.06 0.16 -0.43 0.15 -1.26 -4.39 113.70 103.15 2dlq s SER 19 Ca -0.15 -1.02 -0.28 0.00 0.70 0.00 0.00 55.95 55.20 2dlq s SER 19 Cb 0.04 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 2dlq s SER 19 CO 0.63 -0.92 1.55 0.11 1.20 0.00 0.00 173.24 175.81 2dlq h LYS 20 N 2.52 -0.20 -0.59 5.44 6.56 -1.98 -1.54 116.57 126.78 2dlq h LYS 20 Ca -0.32 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.34 2dlq h LYS 20 Cb 1.23 0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 32.87 2dlq h LYS 20 CO 0.47 -0.13 -0.35 0.98 -2.06 0.00 0.00 179.45 178.36 2dlq n TYR 21 N -5.37 -0.26 -0.15 -1.35 9.36 -1.26 0.16 117.16 118.30 2dlq n TYR 21 Ca 0.01 0.74 -0.04 0.00 3.32 0.00 0.00 57.90 61.92 2dlq n TYR 21 Cb 0.33 -0.54 0.05 0.00 -0.63 0.00 0.00 39.34 38.55 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 0.30 -0.42 2.98 0.05 -1.71 -2.26 116.97 115.91 2dlq h TYR 22 Ca 0.09 0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.98 2dlq h TYR 22 Cb 0.24 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 37.84 2dlq h TYR 22 CO -0.62 0.11 -0.03 1.25 -1.05 0.00 0.00 178.16 177.82 2dlq h LEU 23 N 0.35 -0.23 0.18 3.88 5.85 0.20 -1.55 115.31 123.97 2dlq h LEU 23 Ca 0.22 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2dlq h LEU 23 Cb 0.21 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2dlq h LEU 23 CO -0.21 -0.08 -0.19 0.11 -0.34 0.00 0.00 178.44 177.73 2dlq h LYS 24 N 0.08 -0.35 -1.13 1.25 1.79 -0.33 0.19 116.57 118.07 2dlq h LYS 24 Ca 0.21 0.02 0.39 0.00 -2.18 0.00 0.00 60.65 59.09 2dlq h LYS 24 Cb 0.30 0.08 -0.15 0.00 -1.58 0.00 0.00 32.23 30.89 2dlq h LYS 24 CO -0.37 -0.23 0.68 0.28 -1.08 0.00 0.00 179.45 178.73 2dlq h VAL 25 N -0.36 0.17 0.49 0.50 2.07 -1.30 -0.56 116.25 117.26 2dlq h VAL 25 Ca -0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2dlq h VAL 25 Cb 0.32 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2dlq h VAL 25 CO -0.03 0.03 -0.24 -0.74 0.02 0.00 0.00 177.57 176.62 2dlq h HIS 26 N 0.16 -0.61 -1.00 1.57 -0.00 -0.68 -3.25 115.15 111.34 2dlq h HIS 26 Ca 0.79 -0.01 0.32 0.00 -0.00 0.00 0.00 60.37 61.46 2dlq h HIS 26 Cb 2.15 0.20 -0.18 0.00 -0.00 0.00 0.00 27.41 29.58 2dlq h HIS 26 CO -0.01 -0.38 0.17 -2.95 -0.00 0.00 0.00 177.93 174.77 2dlq h ASN 27 N -1.11 -0.26 -0.77 3.26 -1.07 0.91 0.27 115.58 116.81 2dlq h ASN 27 Ca -0.07 0.28 0.24 0.00 0.07 0.00 0.00 56.30 56.82 2dlq h ASN 27 Cb 0.51 0.43 -0.14 0.00 -2.07 0.00 0.00 38.32 37.04 2dlq h ASN 27 CO 0.11 -0.39 0.12 0.54 0.07 0.00 0.00 177.43 177.89 2dlq n ARG 28 N -5.43 -0.06 -0.09 4.14 1.74 -0.73 0.18 116.66 116.41 2dlq n ARG 28 Ca 0.28 1.13 -0.06 0.00 -0.77 0.00 0.00 57.85 58.42 2dlq n ARG 28 Cb 0.92 -1.86 0.01 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.15 -0.78 5.56 1.79 -0.63 -2.07 116.57 120.59 2dlq h LYS 29 Ca 0.52 -0.01 0.16 0.00 -2.18 0.00 0.00 60.65 59.14 2dlq h LYS 29 Cb 1.17 -0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.68 2dlq h LYS 29 CO -0.69 0.10 0.30 0.45 -1.08 0.00 0.00 179.45 178.53 2dlq h HIS 30 N 0.16 0.51 -3.56 -1.35 3.86 0.17 -3.36 115.15 111.57 2dlq h HIS 30 Ca 0.15 0.04 -0.58 0.00 -1.16 0.00 0.00 60.37 58.82 2dlq h HIS 30 Cb 0.17 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 28.46 2dlq h HIS 30 CO -0.19 0.02 0.78 0.95 0.86 0.00 0.00 177.93 180.35 2dlq s THR 31 N -6.00 4.40 0.00 2.45 -4.23 -0.78 -4.94 115.64 106.55 2dlq s THR 31 Ca -0.12 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2dlq s THR 31 Cb 0.22 -4.47 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2dlq s THR 31 CO 0.77 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2dlq n GLY 32 N 4.53 1.90 0.00 3.99 0.00 -1.26 -4.91 105.19 109.45 2dlq n GLY 32 Ca 0.10 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2dlq n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dlq n GLU 33 N 0.00 0.78 -3.63 1.61 1.02 -1.26 -4.26 120.64 114.91 2dlq n GLU 33 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2dlq n GLU 33 Cb 0.00 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 2dlq n GLU 33 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dlq s LYS 34 N -2.00 1.06 0.10 3.49 1.02 -1.26 -4.90 119.74 117.25 2dlq s LYS 34 Ca 0.22 -1.80 -0.15 0.00 0.02 0.00 0.00 55.97 54.26 2dlq s LYS 34 Cb 0.10 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.32 2dlq s LYS 34 CO 0.17 -1.18 1.42 -1.00 -0.92 0.00 0.00 175.35 173.84 2dlq h PRO 35 N 6.80 0.70 -3.38 -1.68 0.13 -1.88 -3.44 132.00 129.25 2dlq h PRO 35 Ca 0.02 -0.37 -0.42 0.00 -0.87 0.00 0.00 66.00 64.36 2dlq h PRO 35 Cb 0.94 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.69 2dlq h PRO 35 CO 0.41 0.99 -0.75 -0.06 -0.23 0.00 0.00 178.00 178.36 2dlq s PHE 36 N -4.36 0.32 0.08 1.56 0.08 -1.26 -5.04 117.98 109.37 2dlq s PHE 36 Ca -0.12 -0.05 0.08 0.00 0.12 0.00 0.00 56.93 56.95 2dlq s PHE 36 Cb 0.09 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2dlq s PHE 36 CO 0.83 -0.32 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.42 2dlq s GLU 37 N 2.09 1.18 -0.16 0.44 2.12 -1.26 -2.70 118.70 120.40 2dlq s GLU 37 Ca 0.04 -1.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.00 2dlq s GLU 37 Cb -0.13 -1.39 -0.05 0.00 0.26 0.00 0.00 34.13 32.82 2dlq s GLU 37 CO -0.05 0.33 1.90 0.00 -0.54 0.00 0.00 175.26 176.90 2dlq n PRO 39 N 8.00 0.04 -0.04 0.00 -0.04 -1.26 0.14 135.00 141.84 2dlq n PRO 39 Ca 0.23 0.29 -0.20 0.00 -0.04 0.00 0.00 63.50 63.77 2dlq n PRO 39 Cb 0.44 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 2dlq n PRO 39 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dlq h LYS 40 N 0.00 0.12 0.00 0.54 6.56 -2.00 -3.43 116.57 118.35 2dlq h LYS 40 Ca 0.00 -0.21 -0.19 0.00 -1.06 0.00 0.00 60.65 59.20 2dlq h LYS 40 Cb 0.27 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.97 2dlq h LYS 40 CO 0.00 1.10 -1.65 0.00 -2.06 0.00 0.00 179.45 176.84 2dlq n GLY 42 N 2.46 1.15 3.58 0.00 0.00 0.38 -5.01 105.19 107.75 2dlq n GLY 42 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.06 3.87 0.61 1.61 2.47 -1.25 -4.73 119.74 122.27 2dlq s LYS 43 Ca 0.00 -0.24 -0.12 0.00 -1.56 0.00 0.00 55.97 54.04 2dlq s LYS 43 Cb 0.00 -3.70 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 2dlq s LYS 43 CO 0.00 -0.29 1.03 0.00 0.16 0.00 0.00 175.35 176.25 2dlq s TYR 45 N -2.98 -1.54 0.15 0.00 2.02 -1.10 -4.97 117.35 108.93 2dlq s TYR 45 Ca 0.57 1.64 -0.29 0.00 -0.37 0.00 0.00 57.07 58.62 2dlq s TYR 45 Cb -0.12 0.54 -0.07 0.00 -0.40 0.00 0.00 41.96 41.92 2dlq s TYR 45 CO 0.48 -0.84 1.51 0.35 -1.57 0.00 0.00 175.55 175.48 2dlq h PHE 46 N 8.00 -1.77 -3.63 2.71 3.57 -1.90 -3.35 116.94 120.56 2dlq h PHE 46 Ca -0.22 0.12 -0.62 0.00 3.53 0.00 0.00 57.97 60.77 2dlq h PHE 46 Cb 1.16 0.89 -0.13 0.00 2.79 0.00 0.00 35.95 40.66 2dlq h PHE 46 CO 0.10 -0.36 -0.10 1.03 -2.23 0.00 0.00 178.31 176.75 2dlq s ARG 47 N -5.37 4.05 0.26 1.11 1.81 -1.26 -4.85 118.95 114.71 2dlq s ARG 47 Ca -0.12 0.22 -0.03 0.00 -1.72 0.00 0.00 55.73 54.09 2dlq s ARG 47 Cb 0.10 -3.65 0.56 0.00 -0.45 0.00 0.00 34.95 31.51 2dlq s ARG 47 CO 0.58 -0.32 1.65 -0.22 -0.68 0.00 0.00 175.30 176.31 2dlq h LYS 48 N 8.06 0.17 -0.81 3.54 3.64 -1.94 -0.54 116.57 128.68 2dlq h LYS 48 Ca -0.30 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.24 2dlq h LYS 48 Cb 1.15 -0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.78 2dlq h LYS 48 CO 0.69 0.11 -0.18 -1.91 -2.27 0.00 0.00 179.45 175.89 2dlq n GLU 49 N -5.26 -0.07 0.38 1.90 2.13 -1.26 0.09 120.64 118.54 2dlq n GLU 49 Ca 0.17 1.26 -0.18 0.00 0.66 0.00 0.00 57.16 59.07 2dlq n GLU 49 Cb 0.56 -1.89 -0.09 0.00 0.27 0.00 0.00 31.44 30.29 2dlq n GLU 49 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2dlq h ASN 50 N 0.00 -0.85 -0.54 4.31 4.21 -1.47 -2.86 115.58 118.38 2dlq h ASN 50 Ca 0.40 0.03 0.08 0.00 1.21 0.00 0.00 56.30 58.03 2dlq h ASN 50 Cb 0.64 0.23 -0.10 0.00 -1.12 0.00 0.00 38.32 37.96 2dlq h ASN 50 CO -0.83 -0.59 -0.43 0.25 -1.29 0.00 0.00 177.43 174.55 2dlq h LEU 51 N -0.96 -1.46 -0.78 1.61 5.85 -0.38 -0.23 115.31 118.95 2dlq h LEU 51 Ca -0.09 0.24 0.15 0.00 0.84 0.00 0.00 57.88 59.02 2dlq h LEU 51 Cb 0.75 0.66 -0.15 0.00 0.37 0.00 0.00 40.66 42.29 2dlq h LEU 51 CO 0.14 -0.34 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.60 2dlq h LEU 52 N -0.25 -0.86 0.17 2.25 3.38 -1.12 -1.47 115.31 117.42 2dlq h LEU 52 Ca 0.17 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 2dlq h LEU 52 Cb 0.57 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2dlq h LEU 52 CO -0.66 -0.27 -0.17 -0.33 0.09 0.00 0.00 178.44 177.10 2dlq h GLU 53 N -0.02 -0.33 -0.88 1.13 5.08 -0.83 -2.75 114.58 115.98 2dlq h GLU 53 Ca 0.36 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.95 2dlq h GLU 53 Cb 0.58 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.74 2dlq h GLU 53 CO -0.82 -0.22 -0.11 1.58 -1.00 0.00 0.00 179.01 178.44 2dlq n HIS 54 N -3.32 0.42 -0.30 4.33 -0.00 -0.82 0.15 115.22 115.68 2dlq n HIS 54 Ca -0.04 1.07 0.14 0.00 -0.00 0.00 0.00 57.72 58.89 2dlq n HIS 54 Cb 0.15 -1.08 0.31 0.00 -0.00 0.00 0.00 29.99 29.38 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 0.25 0.02 1.57 4.39 -0.98 0.63 114.58 120.46 2dlq h GLU 55 Ca 0.47 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.98 2dlq h GLU 55 Cb 0.84 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2dlq h GLU 55 CO -0.87 0.17 -0.92 0.00 -1.16 0.00 0.00 179.01 176.22 2dlq h ALA 56 N 1.77 0.17 0.38 3.43 0.00 0.14 -3.40 119.26 121.76 2dlq h ALA 56 Ca 0.57 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2dlq h ALA 56 Cb 1.16 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2dlq h ALA 56 CO -0.62 0.52 -0.49 0.00 0.00 0.00 0.00 179.25 178.65 2dlq h ARG 57 N -0.87 -0.87 -1.81 0.00 2.47 0.13 -3.46 114.38 109.97 2dlq h ARG 57 Ca -0.24 0.06 0.04 0.00 -1.26 0.00 0.00 59.98 58.58 2dlq h ARG 57 Cb 1.30 0.20 -0.21 0.00 -1.65 0.00 0.00 29.97 29.61 2dlq h ARG 57 CO -0.10 -0.58 0.42 1.21 0.56 0.00 0.00 179.97 181.48 2dlq s ASN 58 N -4.34 -0.47 0.00 7.04 3.84 0.21 -5.04 114.94 116.18 2dlq s ASN 58 Ca -0.17 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.36 2dlq s ASN 58 Cb 0.05 0.39 -0.00 0.00 -0.55 0.00 0.00 41.25 41.13 2dlq s ASN 58 CO 0.58 -0.47 -0.01 0.00 -2.79 0.00 0.00 177.10 174.40 2dlq n MET 60 N 2.79 -2.47 -0.20 0.00 0.00 -1.26 -4.79 117.12 111.19 2dlq n MET 60 Ca -0.14 0.26 -0.01 0.00 0.00 0.00 0.00 57.70 57.81 2dlq n MET 60 Cb 0.59 -4.89 0.06 0.00 0.00 0.00 0.00 33.22 28.98 2dlq n MET 60 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 2dlq h ASN 61 N -0.77 -0.55 -2.26 3.17 -1.24 -2.01 -3.39 115.58 108.52 2dlq h ASN 61 Ca -0.40 0.18 -0.55 0.00 0.71 0.00 0.00 56.30 56.24 2dlq h ASN 61 Cb 1.27 0.37 0.02 0.00 0.73 0.00 0.00 38.32 40.70 2dlq h ASN 61 CO 0.55 -0.20 1.25 0.54 -1.29 0.00 0.00 177.43 178.28 2dlq n ARG 62 N -5.41 2.68 0.00 6.67 5.12 -1.26 -4.84 116.66 119.61 2dlq n ARG 62 Ca 0.07 0.96 0.08 0.00 -1.93 0.00 0.00 57.85 57.03 2dlq n ARG 62 Cb 0.31 -2.98 -0.04 0.00 -1.16 0.00 0.00 32.46 28.59 2dlq n ARG 62 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dlq n SER 63 N 7.88 1.23 -4.80 0.55 2.88 -1.26 -4.95 113.62 115.14 2dlq n SER 63 Ca 0.22 -1.11 -0.37 0.00 -1.33 0.00 0.00 58.87 56.27 2dlq n SER 63 Cb 0.40 0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 64.50 2dlq n SER 63 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2dlq s GLU 64 N -2.18 3.93 -0.60 -1.46 2.56 -1.26 -5.05 118.70 114.65 2dlq s GLU 64 Ca 0.10 0.10 -0.21 0.00 0.00 0.00 0.00 54.97 54.96 2dlq s GLU 64 Cb 0.13 -3.30 0.08 0.00 2.00 0.00 0.00 34.13 33.03 2dlq s GLU 64 CO 0.52 0.51 0.82 -1.14 -0.56 0.00 0.00 175.26 175.41 2dlq s GLN 65 N -0.37 3.12 0.58 4.30 0.74 -1.26 -5.04 119.66 121.72 2dlq s GLN 65 Ca 0.17 -0.93 -0.04 0.00 0.05 0.00 0.00 55.36 54.61 2dlq s GLN 65 Cb -0.14 -4.20 0.02 0.00 1.10 0.00 0.00 33.01 29.79 2dlq s GLN 65 CO 0.06 -1.58 0.87 0.14 -0.55 0.00 0.00 175.29 174.23 2dlq s VAL 66 N 3.35 3.46 0.13 1.34 -7.23 -1.26 -4.68 120.40 115.52 2dlq s VAL 66 Ca 0.18 -0.17 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 2dlq s VAL 66 Cb -0.19 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 2dlq s VAL 66 CO 0.10 -0.35 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.11 2dlq s PHE 67 N -2.93 2.76 -0.18 2.82 0.40 0.17 -4.91 117.98 116.11 2dlq s PHE 67 Ca 0.54 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.70 2dlq s PHE 67 Cb -0.10 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.03 2dlq s PHE 67 CO 0.43 0.47 -0.13 0.99 0.70 0.00 0.00 175.22 177.68 2dlq s THR 68 N -1.42 2.80 0.97 0.64 2.01 -1.26 -1.45 115.64 117.93 2dlq s THR 68 Ca 0.24 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 2dlq s THR 68 Cb -0.10 -2.21 0.07 0.00 0.01 0.00 0.00 72.50 70.26 2dlq s THR 68 CO 0.15 0.49 -0.14 0.00 -0.69 0.00 0.00 174.62 174.43 2dlq n SER 70 N 0.03 1.99 0.00 0.00 3.41 -1.26 -3.91 113.62 113.87 2dlq n SER 70 Ca 0.02 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2dlq n SER 70 Cb 0.45 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2dlq n SER 70 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2dlq n VAL 71 N 0.25 0.00 0.30 -3.33 0.31 -1.26 -4.85 118.33 109.75 2dlq n VAL 71 Ca 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.42 2dlq n VAL 71 Cb 0.25 -0.96 0.03 0.00 -0.91 0.00 0.00 33.84 32.25 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 0.41 -3.35 -0.19 0.00 1.13 -1.25 -4.89 117.38 109.24 2dlq n GLN 73 Ca 0.04 0.91 -0.10 0.00 -1.94 0.00 0.00 57.00 55.91 2dlq n GLN 73 Cb 0.18 -5.67 0.10 0.00 0.11 0.00 0.00 30.24 24.96 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 -3.53 -1.59 -4.39 -1.09 4.07 -1.26 -4.15 120.64 108.70 2dlq n GLU 74 Ca -0.16 -0.47 -0.26 0.00 -0.06 0.00 0.00 57.16 56.20 2dlq n GLU 74 Cb 0.64 -0.78 -0.17 0.00 -0.06 0.00 0.00 31.44 31.08 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 -1.34 1.24 -0.09 6.31 -4.23 -1.26 -2.51 115.64 113.75 2dlq s THR 75 Ca 0.22 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 2dlq s THR 75 Cb -0.04 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.68 2dlq s THR 75 CO 0.18 0.39 -0.00 -0.36 -0.54 0.00 0.00 174.62 174.28 2dlq s PHE 76 N 1.01 0.82 0.47 3.99 0.40 -0.53 -4.93 117.98 119.21 2dlq s PHE 76 Ca -0.07 -0.33 0.23 0.00 -0.60 0.00 0.00 56.93 56.15 2dlq s PHE 76 Cb -0.15 -0.89 1.24 0.00 0.51 0.00 0.00 43.02 43.73 2dlq s PHE 76 CO -0.01 -0.39 1.89 0.07 0.70 0.00 0.00 175.22 177.48 2dlq h ARG 77 N 8.30 0.23 -5.43 0.44 -0.00 -1.88 0.50 114.38 116.53 2dlq h ARG 77 Ca -0.21 -0.01 -0.51 0.00 -0.00 0.00 0.00 59.98 59.25 2dlq h ARG 77 Cb 1.12 -0.05 -0.14 0.00 -0.00 0.00 0.00 29.97 30.91 2dlq h ARG 77 CO 0.29 0.15 -0.64 1.03 -0.00 0.00 0.00 179.97 180.80 2dlq s ARG 78 N -5.24 1.65 -0.02 0.08 0.52 -1.26 -4.43 118.95 110.24 2dlq s ARG 78 Ca -0.07 -1.88 -0.07 0.00 -0.52 0.00 0.00 55.73 53.18 2dlq s ARG 78 Cb 0.22 -1.13 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 2dlq s ARG 78 CO 0.77 -0.06 0.49 -0.09 0.02 0.00 0.00 175.30 176.43 2dlq h ARG 79 N 2.14 -0.26 -0.65 3.54 2.43 -1.92 -3.30 114.38 116.36 2dlq h ARG 79 Ca -0.41 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 58.93 2dlq h ARG 79 Cb 1.24 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.72 2dlq h ARG 79 CO 0.70 -0.17 -0.10 -0.12 -1.51 0.00 0.00 179.97 178.77 2dlq n MET 80 N -3.63 -0.06 -0.18 0.20 1.56 -1.26 0.19 117.12 113.95 2dlq n MET 80 Ca -0.03 1.00 -0.01 0.00 -0.27 0.00 0.00 57.70 58.39 2dlq n MET 80 Cb 0.11 -1.54 0.07 0.00 2.15 0.00 0.00 33.22 34.01 2dlq n MET 80 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2dlq h GLU 81 N 0.00 0.06 -0.76 2.12 4.39 -1.97 0.19 114.58 118.61 2dlq h GLU 81 Ca 0.34 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.16 2dlq h GLU 81 Cb 0.61 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2dlq h GLU 81 CO -0.65 0.04 0.50 1.25 -1.16 0.00 0.00 179.01 178.99 2dlq h LEU 82 N 0.06 0.52 -0.29 1.33 5.85 0.21 -1.27 115.31 121.72 2dlq h LEU 82 Ca 0.28 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 2dlq h LEU 82 Cb 0.44 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2dlq h LEU 82 CO -0.52 0.29 -0.01 0.03 -0.34 0.00 0.00 178.44 177.88 2dlq h ARG 83 N 0.56 0.53 0.00 1.25 2.47 -0.42 -1.03 114.38 117.74 2dlq h ARG 83 Ca 0.36 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2dlq h ARG 83 Cb 0.64 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2dlq h ARG 83 CO -0.13 0.69 0.00 1.28 0.56 0.00 0.00 179.97 182.37 2dlq n LEU 84 N -4.56 0.58 -0.01 3.04 4.77 -0.58 -2.76 117.00 117.49 2dlq n LEU 84 Ca -0.03 0.65 -0.22 0.00 -0.03 0.00 0.00 56.01 56.39 2dlq n LEU 84 Cb 0.27 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2dlq n LEU 84 CO 0.39 -0.56 -0.71 -0.74 -1.33 0.00 0.00 177.39 174.44 2dlq h HIS 85 N 0.00 0.41 -0.99 -1.77 2.76 -0.83 -3.35 115.15 111.39 2dlq h HIS 85 Ca 0.00 -0.30 0.29 0.00 -2.20 0.00 0.00 60.37 58.15 2dlq h HIS 85 Cb 0.32 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 2dlq h HIS 85 CO 0.00 1.71 0.71 0.52 -1.30 0.00 0.00 177.93 179.58 2dlq h MET 86 N -0.14 0.00 -1.03 5.26 2.86 -1.01 0.95 114.93 121.81 2dlq h MET 86 Ca -0.40 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.51 2dlq h MET 86 Cb 1.89 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.47 2dlq h MET 86 CO 0.04 0.00 0.69 -0.39 1.06 0.00 0.00 176.91 178.31 2dlq h VAL 87 N 0.00 0.53 0.00 -2.22 -1.51 -1.70 0.80 116.25 112.15 2dlq h VAL 87 Ca 0.47 -0.10 -0.07 0.00 -1.23 0.00 0.00 66.70 65.77 2dlq h VAL 87 Cb 1.89 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2dlq h VAL 87 CO -0.00 0.05 -0.33 0.77 -1.23 0.00 0.00 177.57 176.83 2dlq h SER 88 N 0.29 0.00 0.00 4.19 4.64 -1.02 0.90 113.55 122.55 2dlq h SER 88 Ca 0.56 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.81 2dlq h SER 88 Cb 1.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 2dlq h SER 88 CO -0.20 0.33 -0.42 0.45 -0.87 0.00 0.00 176.83 176.12 2dlq h HIS 89 N 0.00 0.00 -0.00 4.77 3.86 0.41 -3.36 115.15 120.82 2dlq h HIS 89 Ca -0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2dlq h HIS 89 Cb 0.69 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 2dlq h HIS 89 CO 0.00 0.96 -0.71 0.00 0.86 0.00 0.00 177.93 179.04 2dlq h THR 90 N -1.00 1.51 0.00 2.45 1.03 -1.09 -3.48 112.91 112.33 2dlq h THR 90 Ca -0.11 -2.42 0.00 0.00 -0.01 0.00 0.00 66.41 63.87 2dlq h THR 90 Cb 0.94 2.31 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 2dlq h THR 90 CO -0.06 0.69 0.00 0.61 -0.01 0.00 0.00 175.52 176.75 2dlq n GLY 91 N 0.51 2.57 3.82 2.99 0.00 0.31 -5.07 105.19 110.32 2dlq n GLY 91 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 2.02 0.44 1.61 4.04 -0.97 -4.45 118.70 121.38 2dlq s GLU 92 Ca 0.00 -1.24 -0.22 0.00 0.04 0.00 0.00 54.97 53.55 2dlq s GLU 92 Cb 0.00 0.61 -0.09 0.00 0.02 0.00 0.00 34.13 34.67 2dlq s GLU 92 CO 0.00 -0.93 1.01 -1.64 -1.84 0.00 0.00 175.26 171.86 2dlq s MET 93 N -3.08 4.06 0.02 -4.83 -1.94 -1.26 -4.85 119.30 107.42 2dlq s MET 93 Ca 0.14 1.35 -0.22 0.00 -1.71 0.00 0.00 55.69 55.24 2dlq s MET 93 Cb -0.05 -2.29 -0.16 0.00 2.01 0.00 0.00 34.83 34.34 2dlq s MET 93 CO 0.10 -0.21 1.32 -1.00 -0.01 0.00 0.00 175.02 175.22 2dlq h PRO 94 N 2.02 0.25 -6.16 2.03 0.13 -1.85 -3.45 132.00 124.96 2dlq h PRO 94 Ca -0.49 -0.13 -0.57 0.00 -0.87 0.00 0.00 66.00 63.94 2dlq h PRO 94 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2dlq h PRO 94 CO 0.61 0.66 -0.33 0.71 -0.23 0.00 0.00 178.00 179.42 2dlq s TYR 95 N -4.29 3.48 0.01 1.56 2.02 -0.75 -5.00 117.35 114.39 2dlq s TYR 95 Ca -0.15 0.47 -0.20 0.00 -0.37 0.00 0.00 57.07 56.83 2dlq s TYR 95 Cb 0.04 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2dlq s TYR 95 CO 0.73 0.43 0.44 0.15 -1.57 0.00 0.00 175.55 175.72 2dlq s LYS 96 N -2.84 0.88 0.81 -0.62 1.02 -1.26 -1.21 119.74 116.52 2dlq s LYS 96 Ca 0.40 -0.20 -0.09 0.00 0.02 0.00 0.00 55.97 56.10 2dlq s LYS 96 Cb -0.12 0.40 0.18 0.00 -0.52 0.00 0.00 37.83 37.77 2dlq s LYS 96 CO 0.26 -0.28 1.11 0.00 -0.92 0.00 0.00 175.35 175.52 2dlq n SER 98 N -3.45 2.03 -0.03 0.00 7.64 -1.26 -3.95 113.62 114.60 2dlq n SER 98 Ca 0.15 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 2dlq n SER 98 Cb 0.54 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 2dlq n SER 98 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dlq h SER 99 N 0.00 0.14 0.00 6.43 0.02 -2.01 -3.33 113.55 114.80 2dlq h SER 99 Ca 0.00 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2dlq h SER 99 Cb 0.93 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2dlq h SER 99 CO 0.00 0.60 -1.72 0.00 -1.14 0.00 0.00 176.83 174.57 2dlq n SER 101 N -2.05 -3.70 -3.07 0.00 7.64 -1.25 -4.99 113.62 106.20 2dlq n SER 101 Ca -0.02 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.69 2dlq n SER 101 Cb 0.47 -2.90 0.13 0.00 -1.01 0.00 0.00 64.21 60.90 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 -2.12 -2.99 -3.90 1.43 1.13 -1.26 -4.47 117.38 105.20 2dlq n GLN 102 Ca -0.13 -0.71 -0.11 0.00 -1.94 0.00 0.00 57.00 54.11 2dlq n GLN 102 Cb 0.60 -0.84 -0.13 0.00 0.11 0.00 0.00 30.24 29.98 2dlq n GLN 102 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2dlq s GLN 103 N -4.01 0.16 0.09 -1.09 -0.21 -1.26 -1.77 119.66 111.57 2dlq s GLN 103 Ca 0.31 -0.20 -0.09 0.00 0.02 0.00 0.00 55.36 55.40 2dlq s GLN 103 Cb -0.05 0.06 -0.00 0.00 1.00 0.00 0.00 33.01 34.02 2dlq s GLN 103 CO 0.26 -0.03 0.20 -0.06 -2.12 0.00 0.00 175.29 173.54 2dlq s PHE 104 N -0.56 0.13 -0.13 0.91 0.40 -0.35 -4.95 117.98 113.43 2dlq s PHE 104 Ca -0.06 -0.55 0.18 0.00 -0.60 0.00 0.00 56.93 55.90 2dlq s PHE 104 Cb -0.04 -0.05 -0.21 0.00 0.51 0.00 0.00 43.02 43.23 2dlq s PHE 104 CO -0.00 -0.54 0.53 -1.33 0.70 0.00 0.00 175.22 174.57 2dlq n MET 105 N -0.03 0.65 -4.40 0.44 2.81 -1.26 -1.80 117.12 113.52 2dlq n MET 105 Ca -0.15 0.06 -0.25 0.00 -1.81 0.00 0.00 57.70 55.54 2dlq n MET 105 Cb 0.62 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.94 1.76 -0.04 0.03 -0.21 -1.26 -4.72 119.66 112.28 2dlq s GLN 106 Ca -0.06 -1.56 -0.25 0.00 0.02 0.00 0.00 55.36 53.51 2dlq s GLN 106 Cb 0.09 -1.91 -0.20 0.00 1.00 0.00 0.00 33.01 32.00 2dlq s GLN 106 CO 0.84 0.38 1.11 -0.22 -2.12 0.00 0.00 175.29 175.28 2dlq h LYS 107 N 2.66 -0.07 -0.88 2.91 3.64 -2.00 -3.18 116.57 119.66 2dlq h LYS 107 Ca -0.44 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 2dlq h LYS 107 Cb 1.23 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 2dlq h LYS 107 CO 0.55 0.46 0.57 1.57 -2.27 0.00 0.00 179.45 180.33 2dlq h LYS 108 N -0.65 0.75 -0.83 1.90 2.10 -1.99 -0.14 116.57 117.72 2dlq h LYS 108 Ca -0.01 -0.05 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 2dlq h LYS 108 Cb 0.56 -0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 31.67 2dlq h LYS 108 CO 0.01 0.50 0.54 0.22 -2.00 0.00 0.00 179.45 178.72 2dlq h ASP 109 N 0.77 0.84 0.04 7.07 1.82 -1.98 -1.18 116.42 123.81 2dlq h ASP 109 Ca 0.42 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.06 2dlq h ASP 109 Cb 0.56 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2dlq h ASP 109 CO -0.19 0.56 -0.02 0.25 -1.61 0.00 0.00 179.24 178.23 2dlq h LEU 110 N 0.97 -0.05 -0.53 2.28 5.85 -1.05 -2.63 115.31 120.16 2dlq h LEU 110 Ca 0.34 -0.63 0.11 0.00 0.84 0.00 0.00 57.88 58.54 2dlq h LEU 110 Cb 0.13 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 2dlq h LEU 110 CO -0.11 0.67 -0.14 1.56 -0.34 0.00 0.00 178.44 180.07 2dlq h GLN 111 N -0.84 -0.01 -0.76 1.25 4.20 -1.08 0.92 115.11 118.79 2dlq h GLN 111 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2dlq h GLN 111 Cb 0.67 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2dlq h GLN 111 CO 0.01 -0.01 0.33 1.03 -0.67 0.00 0.00 178.83 179.53 2dlq h SER 112 N -0.01 1.03 -0.76 1.46 0.87 -1.33 0.84 113.55 115.65 2dlq h SER 112 Ca 0.25 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2dlq h SER 112 Cb 0.40 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2dlq h SER 112 CO -0.55 0.90 0.45 -0.74 -0.53 0.00 0.00 176.83 176.36 2dlq h HIS 113 N 1.09 1.02 0.00 2.24 -0.00 -0.67 0.22 115.15 119.04 2dlq h HIS 113 Ca 0.26 -0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.43 2dlq h HIS 113 Cb 0.17 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 2dlq h HIS 113 CO 0.01 0.69 -0.91 0.52 -0.00 0.00 0.00 177.93 178.24 2dlq h MET 114 N 1.07 0.00 0.00 5.26 2.07 -0.47 -0.67 114.93 122.19 2dlq h MET 114 Ca 0.28 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.81 2dlq h MET 114 Cb -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 2dlq h MET 114 CO -0.05 0.91 -0.47 0.82 1.07 0.00 0.00 176.91 179.19 2dlq h ILE 115 N 0.00 0.85 0.00 -1.22 2.04 -0.22 -0.93 117.51 118.02 2dlq h ILE 115 Ca -0.01 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.73 2dlq h ILE 115 Cb 1.64 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 40.02 2dlq h ILE 115 CO 0.12 0.46 -0.83 0.29 0.00 0.00 0.00 178.15 178.19 2dlq n LYS 116 N -3.28 0.49 -0.02 2.37 4.01 0.71 -3.75 118.16 118.69 2dlq n LYS 116 Ca 0.02 0.49 -0.09 0.00 -0.51 0.00 0.00 58.31 58.21 2dlq n LYS 116 Cb 0.68 -1.67 -0.08 0.00 -0.51 0.00 0.00 35.03 33.46 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 -0.07 -3.31 -0.35 3.38 -1.28 -3.30 115.31 109.38 2dlq h LEU 117 Ca -0.11 -0.48 -0.28 0.00 0.09 0.00 0.00 57.88 57.10 2dlq h LEU 117 Cb 0.79 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2dlq h LEU 117 CO -0.07 0.62 0.36 1.41 0.09 0.00 0.00 178.44 180.85 2dlq n HIS 118 N -4.78 1.39 -1.54 1.13 8.25 -0.42 -4.88 115.22 114.37 2dlq n HIS 118 Ca -0.07 -1.70 -0.13 0.00 -0.26 0.00 0.00 57.72 55.56 2dlq n HIS 118 Cb 0.27 -0.83 -0.10 0.00 1.12 0.00 0.00 29.99 30.45 2dlq n HIS 118 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dlq n SER 119 N 0.30 1.21 -4.83 0.41 2.88 -0.82 -4.58 113.62 108.20 2dlq n SER 119 Ca 0.27 -1.93 -0.22 0.00 -1.33 0.00 0.00 58.87 55.66 2dlq n SER 119 Cb 0.67 -1.59 -0.04 0.00 -0.75 0.00 0.00 64.21 62.49 2dlq n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dlq s GLY 120 N 8.68 1.97 -0.33 0.46 0.00 -1.26 -5.05 107.32 111.79 2dlq s GLY 120 Ca 0.84 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 2dlq s GLY 120 CO 0.15 -1.68 1.69 2.56 0.00 0.00 0.00 173.10 175.82 2dlq s PRO 121 N -4.00 3.46 0.43 2.90 0.04 -1.26 -5.00 135.00 131.56 2dlq s PRO 121 Ca 0.43 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 2dlq s PRO 121 Cb -0.04 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 2dlq s PRO 121 CO 0.26 -1.70 0.68 0.45 0.04 0.00 0.00 177.00 176.72 2dlq s SER 122 N 5.33 6.21 -0.10 6.66 0.15 -1.26 -5.10 113.70 125.58 2dlq s SER 122 Ca 0.75 0.66 -0.30 0.00 0.70 0.00 0.00 55.95 57.76 2dlq s SER 122 Cb -0.21 -2.07 0.12 0.00 -1.71 0.00 0.00 66.02 62.15 2dlq s SER 122 CO 0.33 -0.49 0.97 -0.94 1.20 0.00 0.00 173.24 174.31 2dlq s SER 123 N -4.10 -0.35 0.00 5.45 1.04 -1.26 -5.33 113.70 109.15 2dlq s SER 123 Ca 0.45 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2dlq s SER 123 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2dlq s SER 123 CO 0.41 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.79