#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 -0.06 0.24 1.61 0.01 -1.26 -5.19 113.70 109.06 2dlq s SER 2 Ca 0.00 -0.89 -0.19 0.00 1.31 0.00 0.00 55.95 56.18 2dlq s SER 2 Cb 0.00 0.53 0.02 0.00 0.21 0.00 0.00 66.02 66.78 2dlq s SER 2 CO 0.00 -1.04 0.62 -0.94 0.41 0.00 0.00 173.24 172.29 2dlq s SER 3 N -3.00 -0.26 0.00 2.44 1.04 -1.26 -5.17 113.70 107.49 2dlq s SER 3 Ca 0.20 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2dlq s SER 3 Cb 0.01 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2dlq s SER 3 CO 0.05 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2dlq n GLY 4 N -0.41 3.74 2.95 7.32 0.00 -1.26 -5.06 105.19 112.48 2dlq n GLY 4 Ca -0.06 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 2dlq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlq s SER 5 N 0.00 4.44 0.85 1.61 1.04 -1.26 -5.12 113.70 115.26 2dlq s SER 5 Ca 0.00 -1.82 -0.12 0.00 0.48 0.00 0.00 55.95 54.49 2dlq s SER 5 Cb 0.00 -1.39 0.10 0.00 0.10 0.00 0.00 66.02 64.83 2dlq s SER 5 CO 0.00 -0.35 1.17 -0.94 0.98 0.00 0.00 173.24 174.10 2dlq s SER 6 N 1.15 4.12 0.00 7.02 1.04 -1.26 -5.01 113.70 120.76 2dlq s SER 6 Ca 0.06 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2dlq s SER 6 Cb -0.19 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2dlq s SER 6 CO -0.11 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 172.56 2dlq n GLY 7 N -2.91 1.91 3.87 7.32 0.00 -1.26 -4.76 105.19 109.36 2dlq n GLY 7 Ca 0.08 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 2dlq n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dlq s VAL 8 N -1.59 1.96 0.01 1.61 -7.23 -0.89 -4.83 120.40 109.44 2dlq s VAL 8 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 2dlq s VAL 8 Cb 0.00 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 2dlq s VAL 8 CO 0.00 0.00 0.01 -0.70 -0.31 0.00 0.00 175.10 174.10 2dlq s GLU 9 N -5.67 0.20 -0.34 4.82 2.12 -1.26 -1.97 118.70 116.59 2dlq s GLU 9 Ca 0.69 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 55.54 2dlq s GLU 9 Cb -0.08 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.37 2dlq s GLU 9 CO 0.52 -0.03 0.40 0.00 -0.54 0.00 0.00 175.26 175.61 2dlq n PRO 11 N 5.48 0.49 -0.05 0.00 -0.04 -1.26 0.46 135.00 140.07 2dlq n PRO 11 Ca -0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 2dlq n PRO 11 Cb 0.49 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.58 1.29 -0.42 0.52 -1.04 -1.26 -4.74 114.28 108.04 2dlq n THR 12 Ca 0.02 0.22 0.07 0.00 -2.04 0.00 0.00 64.05 62.32 2dlq n THR 12 Cb 0.01 -2.08 0.19 0.00 -1.82 0.00 0.00 70.33 66.63 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 0.24 -1.06 -3.08 0.00 -0.00 0.17 -4.92 115.22 106.57 2dlq n HIS 14 Ca 0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.46 2dlq n HIS 14 Cb 0.57 -3.18 -0.06 0.00 -0.00 0.00 0.00 29.99 27.33 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 -4.71 4.19 0.22 -0.41 2.20 -1.22 -4.66 119.74 115.34 2dlq s LYS 15 Ca 0.00 0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 2dlq s LYS 15 Cb 0.00 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2dlq s LYS 15 CO 0.00 -0.31 0.42 0.15 -0.36 0.00 0.00 175.35 175.26 2dlq s LYS 16 N 2.14 3.54 0.24 4.03 1.02 -1.26 -0.43 119.74 129.02 2dlq s LYS 16 Ca 0.29 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.03 2dlq s LYS 16 Cb -0.16 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2dlq s LYS 16 CO 0.10 0.36 0.16 -0.06 -0.92 0.00 0.00 175.35 174.99 2dlq s PHE 17 N -1.91 1.36 0.06 3.18 0.40 -0.83 -4.98 117.98 115.26 2dlq s PHE 17 Ca 0.40 -1.42 -0.36 0.00 -0.60 0.00 0.00 56.93 54.94 2dlq s PHE 17 Cb -0.11 -0.65 -0.20 0.00 0.51 0.00 0.00 43.02 42.57 2dlq s PHE 17 CO 0.29 -0.65 1.59 -0.07 0.70 0.00 0.00 175.22 177.08 2dlq h LEU 18 N 2.46 -1.00 -8.86 -0.37 3.38 -1.89 -2.37 115.31 106.66 2dlq h LEU 18 Ca -0.34 0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.30 2dlq h LEU 18 Cb 1.25 0.26 -0.14 0.00 0.09 0.00 0.00 40.66 42.11 2dlq h LEU 18 CO 0.50 -0.71 -0.66 -0.44 0.09 0.00 0.00 178.44 177.22 2dlq s SER 19 N -4.16 1.79 0.32 -0.43 0.01 -1.26 -4.13 113.70 105.84 2dlq s SER 19 Ca -0.19 -1.21 0.03 0.00 1.31 0.00 0.00 55.95 55.90 2dlq s SER 19 Cb 0.03 0.02 0.63 0.00 0.21 0.00 0.00 66.02 66.90 2dlq s SER 19 CO 0.61 -0.51 1.92 0.50 0.41 0.00 0.00 173.24 176.17 2dlq h LYS 20 N 2.50 0.88 -0.61 12.44 1.63 -1.96 -2.57 116.57 128.87 2dlq h LYS 20 Ca -0.38 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.47 2dlq h LYS 20 Cb 1.22 -0.20 -0.12 0.00 -0.60 0.00 0.00 32.23 32.54 2dlq h LYS 20 CO 0.64 0.58 -0.34 -0.92 -3.45 0.00 0.00 179.45 175.97 2dlq h TYR 21 N 0.91 -0.94 -0.80 1.91 3.20 -2.00 0.22 116.97 119.47 2dlq h TYR 21 Ca 0.38 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.30 2dlq h TYR 21 Cb 0.30 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2dlq h TYR 21 CO -0.00 -0.38 0.42 1.88 -1.64 0.00 0.00 178.16 178.43 2dlq h TYR 22 N -0.15 1.11 0.56 -3.82 0.05 -1.89 -2.89 116.97 109.94 2dlq h TYR 22 Ca 0.24 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 2dlq h TYR 22 Cb 0.55 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 2dlq h TYR 22 CO -0.65 0.78 -0.31 1.25 -1.05 0.00 0.00 178.16 178.18 2dlq h LEU 23 N 1.12 -0.77 -0.36 3.88 5.85 -0.56 -1.86 115.31 122.61 2dlq h LEU 23 Ca 0.28 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.09 2dlq h LEU 23 Cb 0.06 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 2dlq h LEU 23 CO -0.04 -0.51 -0.52 0.11 -0.34 0.00 0.00 178.44 177.14 2dlq h LYS 24 N -0.81 -0.40 -0.96 1.25 1.57 -0.72 0.35 116.57 116.85 2dlq h LYS 24 Ca -0.07 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.95 2dlq h LYS 24 Cb 0.65 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 2dlq h LYS 24 CO 0.09 -0.27 0.62 0.28 -0.57 0.00 0.00 179.45 179.60 2dlq h VAL 25 N -0.42 0.66 0.43 0.50 2.07 -1.46 -2.31 116.25 115.72 2dlq h VAL 25 Ca 0.08 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2dlq h VAL 25 Cb 0.61 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2dlq h VAL 25 CO -0.56 0.09 -0.20 -0.74 0.02 0.00 0.00 177.57 176.18 2dlq h HIS 26 N 0.51 -0.53 -0.70 1.57 -0.00 0.17 -3.23 115.15 112.94 2dlq h HIS 26 Ca 0.52 -0.01 0.25 0.00 -0.00 0.00 0.00 60.37 61.13 2dlq h HIS 26 Cb 1.15 0.18 -0.13 0.00 -0.00 0.00 0.00 27.41 28.61 2dlq h HIS 26 CO -0.00 -0.25 0.21 -1.71 -0.00 0.00 0.00 177.93 176.18 2dlq n ASN 27 N -5.17 0.09 -0.30 3.26 5.15 0.94 0.59 115.26 119.83 2dlq n ASN 27 Ca -0.09 1.18 0.09 0.00 -0.60 0.00 0.00 54.58 55.16 2dlq n ASN 27 Cb 0.27 -0.51 0.18 0.00 -0.53 0.00 0.00 39.78 39.19 2dlq n ASN 27 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2dlq n ARG 28 N -4.75 -0.07 -0.30 1.20 1.74 -1.14 0.11 116.66 113.45 2dlq n ARG 28 Ca 0.22 1.29 0.08 0.00 -0.77 0.00 0.00 57.85 58.67 2dlq n ARG 28 Cb 0.74 -1.99 0.19 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.05 0.47 5.56 1.79 -0.06 -0.67 116.57 123.72 2dlq h LYS 29 Ca 0.45 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.90 2dlq h LYS 29 Cb 0.82 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2dlq h LYS 29 CO -0.83 0.03 -0.23 0.45 -1.08 0.00 0.00 179.45 177.79 2dlq h HIS 30 N 0.05 -0.59 -4.23 -1.35 3.86 0.55 -3.44 115.15 110.00 2dlq h HIS 30 Ca 0.47 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 59.14 2dlq h HIS 30 Cb 0.85 0.19 0.18 0.00 1.06 0.00 0.00 27.41 29.69 2dlq h HIS 30 CO -0.51 -0.30 0.31 0.95 0.86 0.00 0.00 177.93 179.24 2dlq s THR 31 N -5.49 2.20 0.00 2.45 -4.23 -0.26 -4.90 115.64 105.41 2dlq s THR 31 Ca -0.16 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2dlq s THR 31 Cb 0.03 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2dlq s THR 31 CO 0.58 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2dlq n GLY 32 N 0.24 -0.05 0.00 3.99 0.00 -1.26 -4.90 105.19 103.21 2dlq n GLY 32 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2dlq n GLY 32 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dlq n GLU 33 N 0.00 0.48 -3.61 1.61 2.13 -1.26 -4.95 120.64 115.03 2dlq n GLU 33 Ca 0.00 -0.57 -0.29 0.00 0.66 0.00 0.00 57.16 56.96 2dlq n GLU 33 Cb 0.00 -0.67 -0.12 0.00 0.27 0.00 0.00 31.44 30.92 2dlq n GLU 33 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2dlq s LYS 34 N -0.20 1.13 0.00 5.31 1.02 -1.26 -4.58 119.74 121.16 2dlq s LYS 34 Ca 0.00 -1.95 0.03 0.00 0.02 0.00 0.00 55.97 54.07 2dlq s LYS 34 Cb 0.00 -2.02 0.15 0.00 -0.52 0.00 0.00 37.83 35.44 2dlq s LYS 34 CO 0.00 -1.22 0.63 -0.35 -0.92 0.00 0.00 175.35 173.49 2dlq n PRO 35 N 3.45 0.49 -4.06 -1.68 -0.04 -1.26 -4.65 135.00 127.25 2dlq n PRO 35 Ca 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2dlq n PRO 35 Cb 0.37 -1.08 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.38 0.09 0.54 0.40 -1.26 -5.09 117.98 111.04 2dlq s PHE 36 Ca 0.04 -0.17 -0.06 0.00 -0.60 0.00 0.00 56.93 56.13 2dlq s PHE 36 Cb 0.02 -0.24 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 2dlq s PHE 36 CO 0.03 -0.03 0.14 -2.00 0.70 0.00 0.00 175.22 174.06 2dlq s GLU 37 N -0.45 0.82 -0.41 0.44 2.12 -1.26 -1.40 118.70 118.56 2dlq s GLU 37 Ca -0.02 -1.06 -0.29 0.00 0.36 0.00 0.00 54.97 53.96 2dlq s GLU 37 Cb -0.04 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.69 2dlq s GLU 37 CO -0.00 -0.24 1.12 0.00 -0.54 0.00 0.00 175.26 175.59 2dlq n PRO 39 N 7.45 0.49 -0.13 0.00 -0.04 -1.26 0.14 135.00 141.64 2dlq n PRO 39 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2dlq n PRO 39 Cb 0.48 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.95 0.64 0.00 0.54 4.76 -1.26 -4.82 118.16 117.08 2dlq n LYS 40 Ca 0.11 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2dlq n LYS 40 Cb 0.05 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 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 3.46 1.67 3.51 0.00 0.00 0.36 -5.00 105.19 109.19 2dlq n GLY 42 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.38 3.31 0.76 1.61 2.36 -1.25 -4.67 119.74 121.47 2dlq s LYS 43 Ca 0.00 -0.50 -0.12 0.00 -2.55 0.00 0.00 55.97 52.80 2dlq s LYS 43 Cb 0.00 -3.91 0.05 0.00 -1.05 0.00 0.00 37.83 32.92 2dlq s LYS 43 CO 0.00 -0.80 1.12 0.00 1.55 0.00 0.00 175.35 177.21 2dlq s TYR 45 N -2.62 -0.28 0.06 0.00 2.02 -0.49 -4.92 117.35 111.11 2dlq s TYR 45 Ca 0.65 0.56 -0.28 0.00 -0.37 0.00 0.00 57.07 57.63 2dlq s TYR 45 Cb -0.20 0.12 -0.17 0.00 -0.40 0.00 0.00 41.96 41.31 2dlq s TYR 45 CO 0.51 -0.32 1.53 0.35 -1.57 0.00 0.00 175.55 176.06 2dlq h PHE 46 N 4.49 -0.52 -3.43 2.71 3.57 -1.87 -3.37 116.94 118.52 2dlq h PHE 46 Ca -0.28 -0.01 -0.66 0.00 3.53 0.00 0.00 57.97 60.55 2dlq h PHE 46 Cb 1.18 0.17 -0.14 0.00 2.79 0.00 0.00 35.95 39.95 2dlq h PHE 46 CO 0.47 -0.27 -0.71 1.03 -2.23 0.00 0.00 178.31 176.60 2dlq s ARG 47 N -5.67 2.26 0.10 1.11 1.81 -1.26 -4.69 118.95 112.62 2dlq s ARG 47 Ca -0.16 -0.99 -0.27 0.00 -1.72 0.00 0.00 55.73 52.60 2dlq s ARG 47 Cb 0.04 -2.37 -0.11 0.00 -0.45 0.00 0.00 34.95 32.06 2dlq s ARG 47 CO 0.61 0.51 1.66 -0.22 -0.68 0.00 0.00 175.30 177.17 2dlq h LYS 48 N 3.46 -0.41 -0.88 3.54 3.64 -1.97 -2.97 116.57 120.98 2dlq h LYS 48 Ca -0.48 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2dlq h LYS 48 Cb 1.17 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 2dlq h LYS 48 CO 0.55 -0.28 -0.50 0.39 -2.27 0.00 0.00 179.45 177.34 2dlq n GLU 49 N -5.34 -0.37 -0.26 1.90 4.71 -1.26 0.82 120.64 120.84 2dlq n GLU 49 Ca -0.07 1.34 0.07 0.00 -0.01 0.00 0.00 57.16 58.48 2dlq n GLU 49 Cb 0.25 -1.97 0.20 0.00 -1.01 0.00 0.00 31.44 28.91 2dlq n GLU 49 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2dlq h ASN 50 N 0.00 -0.08 0.05 1.62 4.21 -1.95 0.02 115.58 119.45 2dlq h ASN 50 Ca 0.16 0.17 -0.00 0.00 1.21 0.00 0.00 56.30 57.84 2dlq h ASN 50 Cb 0.38 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2dlq h ASN 50 CO -0.83 -0.10 -0.03 0.25 -1.29 0.00 0.00 177.43 175.43 2dlq h LEU 51 N 0.21 -0.06 -0.48 1.61 5.85 0.50 -1.77 115.31 121.17 2dlq h LEU 51 Ca 0.44 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.15 2dlq h LEU 51 Cb 0.79 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 2dlq h LEU 51 CO -0.58 0.05 0.06 -0.07 -0.34 0.00 0.00 178.44 177.56 2dlq h LEU 52 N -0.17 -0.08 0.31 2.25 3.38 0.59 -2.41 115.31 119.17 2dlq h LEU 52 Ca -0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dlq h LEU 52 Cb 0.15 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2dlq h LEU 52 CO 0.01 -0.01 -0.17 -0.33 0.09 0.00 0.00 178.44 178.03 2dlq h GLU 53 N 0.18 -0.44 -0.78 1.13 5.08 -0.91 -2.75 114.58 116.09 2dlq h GLU 53 Ca 0.24 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.92 2dlq h GLU 53 Cb 0.34 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.55 2dlq h GLU 53 CO -0.35 -0.29 0.30 1.58 -1.00 0.00 0.00 179.01 179.25 2dlq n HIS 54 N -3.33 0.79 -0.01 4.33 -0.00 -0.68 0.18 115.22 116.50 2dlq n HIS 54 Ca -0.06 0.93 -0.11 0.00 -0.00 0.00 0.00 57.72 58.48 2dlq n HIS 54 Cb 0.18 -1.27 -0.05 0.00 -0.00 0.00 0.00 29.99 28.86 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 0.14 0.09 1.57 5.08 -1.15 0.24 114.58 120.55 2dlq h GLU 55 Ca 0.61 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2dlq h GLU 55 Cb 1.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2dlq h GLU 55 CO -0.64 0.10 -0.05 0.00 -1.00 0.00 0.00 179.01 177.42 2dlq h ALA 56 N 1.05 -0.13 0.36 3.43 0.00 0.21 -3.38 119.26 120.81 2dlq h ALA 56 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2dlq h ALA 56 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2dlq h ALA 56 CO -0.02 -0.18 -0.44 -0.09 0.00 0.00 0.00 179.25 178.52 2dlq h ARG 57 N -0.91 -0.79 -1.38 0.00 9.65 -0.12 -3.45 114.38 117.39 2dlq h ARG 57 Ca -0.01 0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.05 2dlq h ARG 57 Cb 0.55 0.18 -0.25 0.00 -1.39 0.00 0.00 29.97 29.06 2dlq h ARG 57 CO 0.02 -0.52 0.24 -0.80 2.80 0.00 0.00 179.97 181.71 2dlq s ASN 58 N -4.09 -0.62 -0.21 -3.80 -0.87 0.82 -5.05 114.94 101.12 2dlq s ASN 58 Ca -0.15 0.92 -0.16 0.00 -1.57 0.00 0.00 52.86 51.90 2dlq s ASN 58 Cb 0.04 1.52 -0.10 0.00 -0.02 0.00 0.00 41.25 42.69 2dlq s ASN 58 CO 0.51 -0.14 -0.21 0.00 -2.57 0.00 0.00 177.10 174.70 2dlq s MET 60 N -2.55 2.06 -0.13 0.00 -1.94 -1.26 -4.95 119.30 110.53 2dlq s MET 60 Ca -0.29 0.64 -0.07 0.00 -1.71 0.00 0.00 55.69 54.26 2dlq s MET 60 Cb 0.07 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.96 2dlq s MET 60 CO 0.44 -1.64 0.13 -0.80 -0.01 0.00 0.00 175.02 173.14 2dlq s ASN 61 N -3.90 6.29 0.04 3.03 -0.87 -1.26 -5.10 114.94 113.18 2dlq s ASN 61 Ca 0.61 0.41 0.00 0.00 -1.57 0.00 0.00 52.86 52.31 2dlq s ASN 61 Cb -0.14 -2.04 -0.03 0.00 -0.02 0.00 0.00 41.25 39.01 2dlq s ASN 61 CO 0.54 0.37 -0.05 -0.60 -2.57 0.00 0.00 177.10 174.79 2dlq s ARG 62 N -0.78 0.50 1.15 -0.60 6.06 -1.26 -5.15 118.95 118.87 2dlq s ARG 62 Ca 0.14 -0.89 -0.17 0.00 -2.50 0.00 0.00 55.73 52.31 2dlq s ARG 62 Cb -0.12 0.01 0.17 0.00 0.06 0.00 0.00 34.95 35.07 2dlq s ARG 62 CO 0.03 -0.04 0.36 -1.13 -2.50 0.00 0.00 175.30 172.02 2dlq n SER 63 N 0.99 -2.19 -4.36 -2.12 3.41 -1.26 -4.73 113.62 103.36 2dlq n SER 63 Ca -0.20 -0.15 -0.59 0.00 -0.26 0.00 0.00 58.87 57.67 2dlq n SER 63 Cb 0.57 -1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 2dlq n SER 63 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2dlq n GLU 64 N -3.12 0.00 -3.78 4.33 0.28 -1.26 -4.92 120.64 112.18 2dlq n GLU 64 Ca 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.71 2dlq n GLU 64 Cb 0.59 -1.42 -0.14 0.00 1.43 0.00 0.00 31.44 31.90 2dlq n GLU 64 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2dlq s GLN 65 N 1.03 1.09 0.98 3.44 0.74 -1.26 -5.12 119.66 120.55 2dlq s GLN 65 Ca 0.91 -1.60 -0.12 0.00 0.05 0.00 0.00 55.36 54.60 2dlq s GLN 65 Cb -1.28 -2.36 0.17 0.00 1.10 0.00 0.00 33.01 30.64 2dlq s GLN 65 CO 0.63 -1.05 1.09 0.14 -0.55 0.00 0.00 175.29 175.55 2dlq s VAL 66 N 0.97 2.21 0.09 1.34 -7.23 -1.26 -4.74 120.40 111.79 2dlq s VAL 66 Ca 0.13 0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.47 2dlq s VAL 66 Cb -0.21 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2dlq s VAL 66 CO -0.12 -0.09 -0.25 -0.36 -0.31 0.00 0.00 175.10 173.97 2dlq s PHE 67 N -2.96 2.35 -0.18 2.82 0.40 0.20 -4.92 117.98 115.70 2dlq s PHE 67 Ca 0.65 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 56.57 2dlq s PHE 67 Cb -0.18 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 2dlq s PHE 67 CO 0.57 0.27 -0.05 0.99 0.70 0.00 0.00 175.22 177.71 2dlq s THR 68 N -0.98 3.62 1.04 0.64 2.01 -1.26 -1.00 115.64 119.71 2dlq s THR 68 Ca 0.14 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.55 2dlq s THR 68 Cb -0.10 -2.60 0.16 0.00 0.01 0.00 0.00 72.50 69.96 2dlq s THR 68 CO 0.05 0.47 0.23 0.00 -0.69 0.00 0.00 174.62 174.68 2dlq n SER 70 N -1.32 1.74 0.00 0.00 7.64 -1.26 -4.03 113.62 116.40 2dlq n SER 70 Ca 0.05 -1.53 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2dlq n SER 70 Cb 0.41 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2dlq n SER 70 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2dlq n VAL 71 N 0.02 0.00 0.32 0.44 0.31 -1.26 -4.85 118.33 113.31 2dlq n VAL 71 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.40 2dlq n VAL 71 Cb 0.19 -0.89 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 0.36 -4.48 -0.18 0.00 1.13 -1.26 -4.90 117.38 108.06 2dlq n GLN 73 Ca 0.04 0.85 -0.16 0.00 -1.94 0.00 0.00 57.00 55.80 2dlq n GLN 73 Cb 0.19 -5.68 0.16 0.00 0.11 0.00 0.00 30.24 25.01 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 -3.92 -3.00 -4.25 -1.09 4.07 -1.26 -4.24 120.64 106.95 2dlq n GLU 74 Ca -0.11 -0.77 -0.28 0.00 -0.06 0.00 0.00 57.16 55.94 2dlq n GLU 74 Cb 0.61 -1.08 -0.17 0.00 -0.06 0.00 0.00 31.44 30.75 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 -1.60 1.42 -0.14 6.31 -4.23 -1.26 -2.42 115.64 113.72 2dlq s THR 75 Ca 0.35 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.29 2dlq s THR 75 Cb -0.06 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.49 2dlq s THR 75 CO 0.30 0.43 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.39 2dlq s PHE 76 N 1.23 1.52 0.46 3.99 0.40 -0.18 -4.93 117.98 120.47 2dlq s PHE 76 Ca -0.02 -0.86 0.21 0.00 -0.60 0.00 0.00 56.93 55.66 2dlq s PHE 76 Cb -0.14 -1.24 1.21 0.00 0.51 0.00 0.00 43.02 43.36 2dlq s PHE 76 CO -0.05 -0.55 1.88 0.07 0.70 0.00 0.00 175.22 177.27 2dlq h ARG 77 N 8.16 0.26 -5.62 0.44 -0.00 -1.90 0.58 114.38 116.30 2dlq h ARG 77 Ca -0.26 -0.02 -0.54 0.00 -0.00 0.00 0.00 59.98 59.16 2dlq h ARG 77 Cb 1.12 -0.06 -0.14 0.00 -0.00 0.00 0.00 29.97 30.89 2dlq h ARG 77 CO 0.39 0.18 -0.66 1.03 -0.00 0.00 0.00 179.97 180.91 2dlq s ARG 78 N -5.28 1.68 -0.04 0.08 0.52 -1.26 -4.33 118.95 110.33 2dlq s ARG 78 Ca -0.07 -1.88 -0.12 0.00 -0.52 0.00 0.00 55.73 53.14 2dlq s ARG 78 Cb 0.22 -1.34 -0.07 0.00 0.52 0.00 0.00 34.95 34.29 2dlq s ARG 78 CO 0.77 0.04 0.54 -0.09 0.02 0.00 0.00 175.30 176.58 2dlq h ARG 79 N 2.13 -0.41 -0.80 3.54 9.65 -1.91 -3.31 114.38 123.28 2dlq h ARG 79 Ca -0.41 0.03 0.19 0.00 -1.10 0.00 0.00 59.98 58.69 2dlq h ARG 79 Cb 1.24 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.76 2dlq h ARG 79 CO 0.70 -0.27 -0.09 -0.12 2.80 0.00 0.00 179.97 182.99 2dlq n MET 80 N -4.67 -0.07 -0.17 0.20 1.56 -1.26 0.10 117.12 112.82 2dlq n MET 80 Ca -0.05 1.22 -0.04 0.00 -0.27 0.00 0.00 57.70 58.56 2dlq n MET 80 Cb 0.17 -1.88 0.03 0.00 2.15 0.00 0.00 33.22 33.69 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 -0.10 -0.92 2.12 4.39 -1.97 0.21 114.58 118.32 2dlq h GLU 81 Ca 0.43 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.31 2dlq h GLU 81 Cb 0.80 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.39 2dlq h GLU 81 CO -0.78 -0.06 0.59 1.25 -1.16 0.00 0.00 179.01 178.84 2dlq h LEU 82 N -0.10 0.61 -0.34 1.33 5.85 0.57 -0.34 115.31 122.90 2dlq h LEU 82 Ca 0.24 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2dlq h LEU 82 Cb 0.48 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2dlq h LEU 82 CO -0.59 0.28 0.08 0.03 -0.34 0.00 0.00 178.44 177.89 2dlq h ARG 83 N 0.63 0.54 0.00 1.25 2.47 -0.41 0.04 114.38 118.91 2dlq h ARG 83 Ca 0.48 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2dlq h ARG 83 Cb 0.88 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2dlq h ARG 83 CO -0.23 0.61 0.00 -0.07 0.56 0.00 0.00 179.97 180.84 2dlq h LEU 84 N 0.39 0.00 0.11 3.04 3.38 -0.37 -3.07 115.31 118.80 2dlq h LEU 84 Ca 0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 2dlq h LEU 84 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2dlq h LEU 84 CO 0.00 0.00 -1.54 -0.74 0.09 0.00 0.00 178.44 176.25 2dlq h HIS 85 N 0.00 0.43 -1.03 1.13 2.76 -0.57 -3.35 115.15 114.52 2dlq h HIS 85 Ca 0.00 -0.31 0.28 0.00 -2.20 0.00 0.00 60.37 58.14 2dlq h HIS 85 Cb 0.43 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.31 2dlq h HIS 85 CO 0.00 1.60 0.71 0.52 -1.30 0.00 0.00 177.93 179.47 2dlq h MET 86 N -0.27 0.16 -1.10 5.26 2.86 -0.90 0.95 114.93 121.90 2dlq h MET 86 Ca -0.34 -0.01 0.30 0.00 -2.06 0.00 0.00 59.70 57.60 2dlq h MET 86 Cb 1.80 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.32 2dlq h MET 86 CO 0.05 0.11 0.71 -0.39 1.06 0.00 0.00 176.91 178.45 2dlq h VAL 87 N 0.17 0.44 -0.01 -2.22 -1.51 -1.69 0.92 116.25 112.35 2dlq h VAL 87 Ca 0.53 -0.11 -0.07 0.00 -1.23 0.00 0.00 66.70 65.82 2dlq h VAL 87 Cb 1.76 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 2dlq h VAL 87 CO -0.12 0.06 -0.32 0.28 -1.23 0.00 0.00 177.57 176.24 2dlq h SER 88 N 0.31 0.01 0.00 4.19 0.02 -1.05 0.61 113.55 117.64 2dlq h SER 88 Ca 0.63 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.56 2dlq h SER 88 Cb 1.75 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 2dlq h SER 88 CO -0.30 0.33 -0.16 0.45 -1.14 0.00 0.00 176.83 176.00 2dlq h HIS 89 N 0.01 0.00 -0.50 3.45 3.86 0.66 -3.37 115.15 119.27 2dlq h HIS 89 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 2dlq h HIS 89 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2dlq h HIS 89 CO 0.00 0.75 -0.17 0.00 0.86 0.00 0.00 177.93 179.37 2dlq h THR 90 N -1.00 1.27 0.00 2.45 1.03 -1.11 -3.48 112.91 112.07 2dlq h THR 90 Ca -0.04 -1.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.03 2dlq h THR 90 Cb 0.75 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 2dlq h THR 90 CO -0.02 0.46 0.00 0.61 -0.01 0.00 0.00 175.52 176.56 2dlq n GLY 91 N -0.16 3.90 3.60 2.99 0.00 0.21 -5.07 105.19 110.65 2dlq n GLY 91 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 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 0.39 0.71 1.61 1.03 -1.09 -4.76 118.70 116.59 2dlq s GLU 92 Ca 0.00 0.06 -0.16 0.00 0.03 0.00 0.00 54.97 54.90 2dlq s GLU 92 Cb 0.00 0.18 -0.00 0.00 -0.80 0.00 0.00 34.13 33.51 2dlq s GLU 92 CO 0.00 -0.13 0.91 -1.33 -1.33 0.00 0.00 175.26 173.38 2dlq n MET 93 N 0.56 0.51 -0.01 -4.83 2.81 -1.26 -4.94 117.12 109.95 2dlq n MET 93 Ca -0.06 0.23 -0.13 0.00 -1.81 0.00 0.00 57.70 55.93 2dlq n MET 93 Cb 0.58 -2.17 -0.10 0.00 -0.71 0.00 0.00 33.22 30.83 2dlq n MET 93 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2dlq h PRO 94 N -0.21 0.01 -6.34 0.03 0.13 -1.86 -3.45 132.00 120.30 2dlq h PRO 94 Ca -0.47 -0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 2dlq h PRO 94 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 2dlq h PRO 94 CO 0.47 0.49 -0.22 0.71 -0.23 0.00 0.00 178.00 179.22 2dlq s TYR 95 N -4.25 3.47 -0.10 1.56 2.02 -0.91 -4.99 117.35 114.15 2dlq s TYR 95 Ca -0.16 0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 56.91 2dlq s TYR 95 Cb 0.02 -2.04 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2dlq s TYR 95 CO 0.68 0.29 0.52 0.15 -1.57 0.00 0.00 175.55 175.62 2dlq s LYS 96 N -3.19 0.78 0.47 -0.62 1.02 -1.26 -1.80 119.74 115.14 2dlq s LYS 96 Ca 0.42 0.31 -0.08 0.00 0.02 0.00 0.00 55.97 56.65 2dlq s LYS 96 Cb -0.11 0.37 0.11 0.00 -0.52 0.00 0.00 37.83 37.68 2dlq s LYS 96 CO 0.27 -0.19 0.62 0.00 -0.92 0.00 0.00 175.35 175.13 2dlq n SER 98 N -3.44 1.56 -0.02 0.00 7.64 -1.26 -4.10 113.62 114.00 2dlq n SER 98 Ca 0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 2dlq n SER 98 Cb 0.27 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.37 2dlq n SER 98 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dlq h SER 99 N 0.00 0.04 0.00 6.43 0.87 -2.01 -3.33 113.55 115.56 2dlq h SER 99 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2dlq h SER 99 Cb 0.78 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2dlq h SER 99 CO 0.00 0.57 -1.50 0.00 -0.53 0.00 0.00 176.83 175.37 2dlq n SER 101 N -1.89 -4.59 -3.06 0.00 7.64 -1.25 -4.98 113.62 105.49 2dlq n SER 101 Ca -0.01 -0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.66 2dlq n SER 101 Cb 0.43 -3.63 0.12 0.00 -1.01 0.00 0.00 64.21 60.13 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 -2.66 -2.93 -3.87 1.43 1.13 -1.26 -4.47 117.38 104.74 2dlq n GLN 102 Ca -0.14 -0.65 -0.11 0.00 -1.94 0.00 0.00 57.00 54.16 2dlq n GLN 102 Cb 0.61 -0.78 -0.12 0.00 0.11 0.00 0.00 30.24 30.06 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 -3.92 0.22 0.17 -1.09 -0.21 -1.26 -1.89 119.66 111.67 2dlq s GLN 103 Ca 0.29 -0.13 -0.08 0.00 0.02 0.00 0.00 55.36 55.46 2dlq s GLN 103 Cb -0.05 0.09 -0.01 0.00 1.00 0.00 0.00 33.01 34.04 2dlq s GLN 103 CO 0.24 -0.04 0.27 -0.06 -2.12 0.00 0.00 175.29 173.58 2dlq s PHE 104 N -0.53 0.44 -0.15 0.91 0.40 -0.74 -4.96 117.98 113.35 2dlq s PHE 104 Ca -0.06 -0.80 0.19 0.00 -0.60 0.00 0.00 56.93 55.66 2dlq s PHE 104 Cb -0.04 -0.08 -0.28 0.00 0.51 0.00 0.00 43.02 43.13 2dlq s PHE 104 CO 0.00 -0.72 0.21 -1.33 0.70 0.00 0.00 175.22 174.08 2dlq n MET 105 N -0.22 0.68 -4.38 0.44 2.81 -1.26 -2.14 117.12 113.06 2dlq n MET 105 Ca -0.07 -0.07 -0.25 0.00 -1.81 0.00 0.00 57.70 55.50 2dlq n MET 105 Cb 0.63 -1.52 -0.10 0.00 -0.71 0.00 0.00 33.22 31.52 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 -2.82 1.87 -0.05 0.03 -0.21 -1.26 -4.73 119.66 112.49 2dlq s GLN 106 Ca -0.09 -1.51 -0.26 0.00 0.02 0.00 0.00 55.36 53.52 2dlq s GLN 106 Cb 0.09 -1.97 -0.21 0.00 1.00 0.00 0.00 33.01 31.92 2dlq s GLN 106 CO 0.86 0.38 1.10 -0.22 -2.12 0.00 0.00 175.29 175.28 2dlq h LYS 107 N 2.57 -0.04 -0.91 2.91 3.64 -2.01 -3.18 116.57 119.55 2dlq h LYS 107 Ca -0.44 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.05 2dlq h LYS 107 Cb 1.23 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 2dlq h LYS 107 CO 0.56 0.53 0.58 1.57 -2.27 0.00 0.00 179.45 180.42 2dlq h LYS 108 N -0.66 0.85 -0.68 1.90 2.10 -1.99 -0.15 116.57 117.94 2dlq h LYS 108 Ca -0.00 -0.05 0.05 0.00 -2.00 0.00 0.00 60.65 58.64 2dlq h LYS 108 Cb 0.60 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.69 2dlq h LYS 108 CO 0.01 0.56 0.45 0.22 -2.00 0.00 0.00 179.45 178.69 2dlq h ASP 109 N 0.88 0.65 0.02 7.07 3.58 -1.98 -1.56 116.42 125.08 2dlq h ASP 109 Ca 0.43 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.87 2dlq h ASP 109 Cb 0.46 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2dlq h ASP 109 CO -0.19 0.44 -0.01 0.25 -2.88 0.00 0.00 179.24 176.85 2dlq h LEU 110 N 0.75 -0.03 -0.53 2.28 5.85 -1.05 -2.77 115.31 119.82 2dlq h LEU 110 Ca 0.28 -0.71 0.11 0.00 0.84 0.00 0.00 57.88 58.39 2dlq h LEU 110 Cb 0.16 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.09 2dlq h LEU 110 CO -0.08 0.74 -0.14 1.56 -0.34 0.00 0.00 178.44 180.18 2dlq h GLN 111 N -0.84 -0.00 -0.77 1.25 4.20 -1.06 0.11 115.11 118.00 2dlq h GLN 111 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2dlq h GLN 111 Cb 0.74 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 2dlq h GLN 111 CO 0.01 -0.00 0.40 1.03 -0.67 0.00 0.00 178.83 179.59 2dlq h SER 112 N -0.00 0.99 -0.89 1.46 0.87 -1.40 0.08 113.55 114.66 2dlq h SER 112 Ca 0.26 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2dlq h SER 112 Cb 0.39 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 2dlq h SER 112 CO -0.55 0.83 0.59 -0.74 -0.53 0.00 0.00 176.83 176.43 2dlq h HIS 113 N 1.08 1.10 0.01 2.24 -0.00 -0.75 0.35 115.15 119.18 2dlq h HIS 113 Ca 0.27 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.47 2dlq h HIS 113 Cb 0.08 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.10 2dlq h HIS 113 CO 0.01 0.67 -0.92 0.52 -0.00 0.00 0.00 177.93 178.21 2dlq h MET 114 N 1.17 0.11 0.00 5.26 2.07 -0.60 -0.45 114.93 122.49 2dlq h MET 114 Ca 0.34 -0.14 -0.15 0.00 -2.07 0.00 0.00 59.70 57.68 2dlq h MET 114 Cb -0.07 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.69 2dlq h MET 114 CO -0.09 0.95 -0.72 0.82 1.07 0.00 0.00 176.91 178.94 2dlq h ILE 115 N 0.05 1.39 0.00 -1.22 2.04 -0.26 0.33 117.51 119.85 2dlq h ILE 115 Ca -0.04 -2.57 -0.06 0.00 1.00 0.00 0.00 64.86 63.20 2dlq h ILE 115 Cb 1.59 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 2dlq h ILE 115 CO 0.13 0.71 -0.53 0.11 0.00 0.00 0.00 178.15 178.57 2dlq h LYS 116 N 0.00 0.00 0.02 2.37 6.56 -0.35 -3.23 116.57 121.94 2dlq h LYS 116 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2dlq h LYS 116 Cb 1.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 2dlq h LYS 116 CO 0.09 0.34 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.74 2dlq h LEU 117 N -1.00 -0.03 -2.75 2.94 3.38 -1.22 -3.31 115.31 113.32 2dlq h LEU 117 Ca -0.08 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 2dlq h LEU 117 Cb 0.64 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2dlq h LEU 117 CO -0.05 0.65 0.21 1.41 0.09 0.00 0.00 178.44 180.75 2dlq n HIS 118 N -4.74 0.93 -1.52 1.13 8.25 -0.04 -4.86 115.22 114.38 2dlq n HIS 118 Ca -0.04 -1.05 -0.13 0.00 -0.26 0.00 0.00 57.72 56.24 2dlq n HIS 118 Cb 0.19 -0.53 -0.10 0.00 1.12 0.00 0.00 29.99 30.67 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 0.17 1.04 -4.92 0.41 2.88 -0.34 -4.60 113.62 108.26 2dlq n SER 119 Ca 0.18 -1.97 -0.27 0.00 -1.33 0.00 0.00 58.87 55.49 2dlq n SER 119 Cb 0.79 -1.55 0.04 0.00 -0.75 0.00 0.00 64.21 62.74 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 8.12 1.62 0.29 0.46 0.00 -1.26 -5.00 107.32 111.56 2dlq s GLY 120 Ca 0.81 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.89 2dlq s GLY 120 CO 0.16 -0.41 1.68 -0.56 0.00 0.00 0.00 173.10 173.97 2dlq h PRO 121 N -0.27 0.17 -7.17 2.90 0.13 -2.02 -3.47 132.00 122.28 2dlq h PRO 121 Ca -0.45 -0.09 -0.62 0.00 -0.87 0.00 0.00 66.00 63.96 2dlq h PRO 121 Cb 1.27 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 2dlq h PRO 121 CO 0.61 0.61 -0.92 -1.13 -0.23 0.00 0.00 178.00 176.94 2dlq n SER 122 N -3.98 -1.42 -4.39 1.44 3.41 -1.26 0.52 113.62 107.94 2dlq n SER 122 Ca -0.02 -1.24 -0.37 0.00 -0.26 0.00 0.00 58.87 56.98 2dlq n SER 122 Cb 0.51 -1.66 -0.07 0.00 -0.26 0.00 0.00 64.21 62.73 2dlq n SER 122 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dlq n SER 123 N -2.54 -1.09 0.00 4.04 3.41 -1.26 -5.33 113.62 110.85 2dlq n SER 123 Ca 0.04 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2dlq n SER 123 Cb 0.50 -1.88 0.00 0.00 -0.26 0.00 0.00 64.21 62.56 2dlq n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49