#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr s SER 2 N 0.00 6.60 0.47 1.61 0.15 -1.26 -5.00 113.70 116.27 2crr s SER 2 Ca 0.00 1.98 0.08 0.00 0.70 0.00 0.00 55.95 58.70 2crr s SER 2 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2crr s SER 2 CO 0.00 -1.02 0.48 -0.94 1.20 0.00 0.00 173.24 172.96 2crr s SER 3 N 3.51 5.07 -0.12 5.45 1.04 -1.26 -5.12 113.70 122.26 2crr s SER 3 Ca 0.71 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 2crr s SER 3 Cb -0.29 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 2crr s SER 3 CO 0.28 -0.87 -0.11 -0.83 0.98 0.00 0.00 173.24 172.69 2crr s GLY 4 N -4.28 1.58 0.40 7.32 0.00 -1.26 -5.11 107.32 105.97 2crr s GLY 4 Ca 0.49 -0.88 -0.20 0.00 0.00 0.00 0.00 44.72 44.12 2crr s GLY 4 CO 0.29 -0.25 0.91 -0.45 0.00 0.00 0.00 173.10 173.61 2crr s SER 5 N 0.18 6.94 1.14 1.64 0.15 -1.26 -5.04 113.70 117.45 2crr s SER 5 Ca -0.06 1.63 -0.16 0.00 0.70 0.00 0.00 55.95 58.06 2crr s SER 5 Cb -0.15 -2.52 0.17 0.00 -1.71 0.00 0.00 66.02 61.81 2crr s SER 5 CO 0.04 -0.31 0.37 -1.54 1.20 0.00 0.00 173.24 173.00 2crr n SER 6 N -0.51 -2.15 -1.38 5.45 3.41 -1.26 -4.74 113.62 112.44 2crr n SER 6 Ca 0.06 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2crr n SER 6 Cb 0.54 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2crr n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crr n GLY 7 N 1.66 -2.63 3.61 5.00 0.00 -1.26 -5.12 105.19 106.46 2crr n GLY 7 Ca 0.02 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2crr n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crr s LYS 8 N -0.07 1.99 -0.27 1.61 1.02 -1.26 -5.03 119.74 117.73 2crr s LYS 8 Ca 0.00 -2.21 -0.01 0.00 0.02 0.00 0.00 55.97 53.76 2crr s LYS 8 Cb 0.00 -1.12 0.14 0.00 -0.52 0.00 0.00 37.83 36.33 2crr s LYS 8 CO 0.00 -0.34 2.16 0.00 -0.92 0.00 0.00 175.35 176.26 2crr n ALA 9 N -1.02 5.13 -0.07 5.17 0.00 -1.26 -4.24 120.51 124.23 2crr n ALA 9 Ca -0.10 -1.54 -0.22 0.00 0.00 0.00 0.00 53.44 51.58 2crr n ALA 9 Cb 0.66 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 2crr n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2crr n GLN 10 N 0.69 0.63 -0.04 0.00 10.64 -1.26 -4.21 117.38 123.83 2crr n GLN 10 Ca 0.28 0.46 -0.14 0.00 -1.83 0.00 0.00 57.00 55.77 2crr n GLN 10 Cb 0.58 -1.73 -0.11 0.00 -0.86 0.00 0.00 30.24 28.11 2crr n GLN 10 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2crr h LYS 11 N -0.62 0.03 -0.89 2.61 3.64 -2.02 -3.28 116.57 116.04 2crr h LYS 11 Ca -0.39 -0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.26 2crr h LYS 11 Cb 1.57 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 33.23 2crr h LYS 11 CO -0.11 0.74 0.18 -0.11 -2.27 0.00 0.00 179.45 177.88 2crr n LEU 12 N -4.71 0.04 -4.66 5.20 7.94 -1.26 -4.00 117.00 115.54 2crr n LEU 12 Ca -0.09 1.50 -0.43 0.00 -1.11 0.00 0.00 56.01 55.88 2crr n LEU 12 Cb 0.37 -0.61 -0.02 0.00 0.53 0.00 0.00 43.42 43.69 2crr n LEU 12 CO 0.34 -1.57 0.91 0.20 -1.11 0.00 0.00 177.39 176.16 2crr s ASN 13 N -4.85 7.12 -0.78 1.96 0.01 -1.24 -4.99 114.94 112.17 2crr s ASN 13 Ca -0.10 1.41 -0.11 0.00 -0.71 0.00 0.00 52.86 53.35 2crr s ASN 13 Cb 0.28 -2.54 0.20 0.00 0.41 0.00 0.00 41.25 39.60 2crr s ASN 13 CO 0.69 -0.64 0.68 -1.83 -1.51 0.00 0.00 177.10 174.49 2crr s GLU 14 N 3.03 3.32 -0.22 -0.60 1.03 -1.26 -4.95 118.70 119.05 2crr s GLU 14 Ca 0.45 -2.51 -0.19 0.00 0.03 0.00 0.00 54.97 52.76 2crr s GLU 14 Cb -0.16 -4.23 0.06 0.00 -0.80 0.00 0.00 34.13 29.01 2crr s GLU 14 CO 0.08 -1.26 0.59 1.14 -1.33 0.00 0.00 175.26 174.48 2crr s GLN 15 N 0.05 0.66 0.04 -4.83 -2.07 -1.26 -5.08 119.66 107.18 2crr s GLN 15 Ca 0.18 0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 54.49 2crr s GLN 15 Cb -0.13 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 2crr s GLN 15 CO -0.07 -0.10 1.17 0.45 -1.32 0.00 0.00 175.29 175.42 2crr h HIS 16 N 5.63 -0.52 -0.53 9.60 3.86 -1.94 -1.41 115.15 129.83 2crr h HIS 16 Ca -0.29 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.07 2crr h HIS 16 Cb 1.18 0.24 -0.10 0.00 1.06 0.00 0.00 27.41 29.79 2crr h HIS 16 CO 0.33 -0.17 -0.05 1.04 0.86 0.00 0.00 177.93 179.95 2crr n GLN 17 N -3.50 -0.04 0.08 2.45 3.00 -1.26 0.23 117.38 118.34 2crr n GLN 17 Ca -0.02 0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 57.66 2crr n GLN 17 Cb 0.12 -1.25 -0.07 0.00 0.00 0.00 0.00 30.24 29.03 2crr n GLN 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2crr h LEU 18 N 0.00 -0.17 -0.07 1.08 7.12 -1.66 -2.74 115.31 118.87 2crr h LEU 18 Ca 0.30 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.34 2crr h LEU 18 Cb 0.55 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 2crr h LEU 18 CO -0.52 -0.11 -0.05 0.40 -0.13 0.00 0.00 178.44 178.04 2crr h ILE 19 N -0.16 0.85 -1.02 4.05 2.04 0.32 -2.10 117.51 121.50 2crr h ILE 19 Ca -0.00 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.15 2crr h ILE 19 Cb 0.14 0.85 -0.14 0.00 -0.74 0.00 0.00 36.82 36.94 2crr h ILE 19 CO -0.01 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.67 2crr h LEU 20 N -0.05 0.56 -0.14 1.44 3.38 -0.93 0.14 115.31 119.71 2crr h LEU 20 Ca 0.05 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2crr h LEU 20 Cb 0.12 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2crr h LEU 20 CO -0.11 -0.03 -0.01 -1.28 0.09 0.00 0.00 178.44 177.10 2crr h SER 21 N 0.41 0.25 -1.02 -0.43 0.87 -1.09 -2.93 113.55 109.61 2crr h SER 21 Ca 0.70 -0.33 0.25 0.00 -1.23 0.00 0.00 61.79 61.18 2crr h SER 21 Cb 1.54 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 63.33 2crr h SER 21 CO -0.53 0.52 0.65 0.11 -0.53 0.00 0.00 176.83 177.05 2crr h LYS 22 N -0.03 0.43 0.01 2.24 6.56 -0.38 -0.02 116.57 125.38 2crr h LYS 22 Ca 0.04 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2crr h LYS 22 Cb 0.40 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2crr h LYS 22 CO 0.01 0.28 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.61 2crr h LEU 23 N 0.44 -0.01 -0.49 2.94 3.38 -1.27 -3.12 115.31 117.18 2crr h LEU 23 Ca 0.59 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.38 2crr h LEU 23 Cb 1.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 2crr h LEU 23 CO -0.31 0.22 0.24 -0.07 0.09 0.00 0.00 178.44 178.61 2crr h LEU 24 N -0.24 0.33 -1.07 1.67 3.38 -0.95 -1.90 115.31 116.53 2crr h LEU 24 Ca -0.00 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.37 2crr h LEU 24 Cb 0.23 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 2crr h LEU 24 CO 0.00 0.23 0.60 0.03 0.09 0.00 0.00 178.44 179.39 2crr h ARG 25 N 0.46 0.18 -6.77 1.13 3.08 -1.20 -3.20 114.38 108.07 2crr h ARG 25 Ca 0.22 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.73 2crr h ARG 25 Cb 0.15 -0.04 0.06 0.00 0.08 0.00 0.00 29.97 30.22 2crr h ARG 25 CO -0.17 0.12 0.75 -1.21 -1.07 0.00 0.00 179.97 178.39 2crr s GLU 26 N -5.56 4.27 0.50 0.04 0.41 -0.72 -4.83 118.70 112.81 2crr s GLU 26 Ca -0.09 2.31 0.24 0.00 -0.41 0.00 0.00 54.97 57.02 2crr s GLU 26 Cb 0.31 -3.10 1.32 0.00 -1.78 0.00 0.00 34.13 30.88 2crr s GLU 26 CO 0.79 -0.41 1.94 1.49 -0.49 0.00 0.00 175.26 178.58 2crr h GLU 27 N 4.78 0.12 0.00 1.61 4.81 -1.86 0.29 114.58 124.33 2crr h GLU 27 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2crr h GLU 27 Cb 1.22 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2crr h GLU 27 CO 0.76 0.08 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.64 2crr h ASP 28 N 0.12 0.00 0.00 1.04 3.32 -1.88 -2.34 116.42 116.68 2crr h ASP 28 Ca 0.34 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2crr h ASP 28 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2crr h ASP 28 CO -0.04 0.04 -0.39 0.59 -1.72 0.00 0.00 179.24 177.72 2crr n ASN 29 N -4.33 1.81 0.08 6.45 4.13 0.89 -4.59 115.26 119.72 2crr n ASN 29 Ca -0.03 -3.56 -0.04 0.00 1.68 0.00 0.00 54.58 52.64 2crr n ASN 29 Cb 0.13 -0.49 -0.07 0.00 -1.54 0.00 0.00 39.78 37.81 2crr n ASN 29 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2crr h LYS 30 N 0.71 0.00 -4.95 3.52 1.79 -0.61 -3.39 116.57 113.63 2crr h LYS 30 Ca -0.01 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.09 2crr h LYS 30 Cb 1.05 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.56 2crr h LYS 30 CO 0.00 0.82 -0.62 0.71 -1.08 0.00 0.00 179.45 179.29 2crr s TYR 31 N -2.79 1.59 1.07 -1.35 1.51 -1.26 -3.72 117.35 112.40 2crr s TYR 31 Ca 0.02 -1.12 -0.15 0.00 -1.01 0.00 0.00 57.07 54.80 2crr s TYR 31 Cb 0.09 -0.95 0.12 0.00 -0.11 0.00 0.00 41.96 41.11 2crr s TYR 31 CO 0.80 -0.26 0.38 0.00 -1.11 0.00 0.00 175.55 175.35 2crr n ALA 33 N -4.29 3.71 0.00 0.00 0.00 -1.13 -2.98 120.51 115.82 2crr n ALA 33 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 2crr n ALA 33 Cb 0.58 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 2crr n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2crr n ASP 34 N -0.56 0.74 -0.85 0.00 8.00 -1.26 -4.78 116.55 117.84 2crr n ASP 34 Ca 0.08 0.11 0.08 0.00 0.71 0.00 0.00 54.79 55.77 2crr n ASP 34 Cb 0.41 -0.25 0.18 0.00 -0.02 0.00 0.00 41.12 41.43 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crr n GLU 36 N 0.96 -0.87 -0.80 0.00 0.28 -1.16 -4.79 120.64 114.26 2crr n GLU 36 Ca 0.15 0.10 -0.31 0.00 -0.16 0.00 0.00 57.16 56.94 2crr n GLU 36 Cb 0.48 -3.71 0.16 0.00 1.43 0.00 0.00 31.44 29.81 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2crr s ALA 37 N -3.92 1.32 -0.59 -1.84 0.00 -1.26 -4.25 121.76 111.23 2crr s ALA 37 Ca 0.26 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 2crr s ALA 37 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.65 2crr s ALA 37 CO 0.95 -2.73 0.87 0.15 0.00 0.00 0.00 175.76 174.99 2crr s LYS 38 N -4.68 3.18 0.00 0.00 1.02 -1.26 -2.65 119.74 115.35 2crr s LYS 38 Ca 0.66 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.96 2crr s LYS 38 Cb -0.22 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 32.95 2crr s LYS 38 CO 0.59 -1.56 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 2crr n GLY 39 N 5.22 0.66 3.58 -3.33 0.00 -1.24 -4.97 105.19 105.10 2crr n GLY 39 Ca -0.03 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 2crr n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 40 N -2.19 2.50 0.05 1.61 0.04 -1.26 -4.80 135.00 130.95 2crr s PRO 40 Ca 0.00 -0.99 -0.32 0.00 0.04 0.00 0.00 61.00 59.73 2crr s PRO 40 Cb 0.00 -5.21 -0.18 0.00 0.04 0.00 0.00 34.50 29.16 2crr s PRO 40 CO 0.00 -3.87 1.46 -0.09 0.04 0.00 0.00 177.00 174.54 2crr h ARG 41 N 10.04 -1.11 -7.31 4.56 1.12 -1.94 -3.43 114.38 116.31 2crr h ARG 41 Ca 0.19 0.08 -0.47 0.00 -1.11 0.00 0.00 59.98 58.67 2crr h ARG 41 Cb 0.95 0.25 0.17 0.00 -0.01 0.00 0.00 29.97 31.33 2crr h ARG 41 CO 1.22 -0.74 0.19 -1.58 -3.11 0.00 0.00 179.97 175.95 2crr s TRP 42 N -5.49 2.04 -0.26 2.20 0.52 -1.15 -4.19 118.94 112.62 2crr s TRP 42 Ca -0.17 1.19 -0.26 0.00 0.02 0.00 0.00 56.10 56.89 2crr s TRP 42 Cb 0.02 -3.19 0.10 0.00 -1.15 0.00 0.00 33.47 29.24 2crr s TRP 42 CO 0.50 -2.84 0.87 0.00 0.02 0.00 0.00 176.95 175.50 2crr s ALA 43 N -2.84 -1.87 -0.49 0.98 0.00 -1.21 -2.29 121.76 114.03 2crr s ALA 43 Ca 0.65 1.90 -0.15 0.00 0.00 0.00 0.00 51.96 54.37 2crr s ALA 43 Cb -0.20 -1.20 0.10 0.00 0.00 0.00 0.00 23.12 21.82 2crr s ALA 43 CO 0.59 -0.30 0.42 -1.12 0.00 0.00 0.00 175.76 175.35 2crr s SER 44 N 0.15 6.08 0.03 0.00 0.01 0.06 -3.66 113.70 116.38 2crr s SER 44 Ca 0.01 -1.58 -0.26 0.00 1.31 0.00 0.00 55.95 55.43 2crr s SER 44 Cb -0.04 -2.16 -0.17 0.00 0.21 0.00 0.00 66.02 63.85 2crr s SER 44 CO -0.02 -0.72 1.41 4.11 0.41 0.00 0.00 173.24 178.43 2crr h TRP 45 N 8.75 -0.37 -0.93 2.43 5.08 -1.81 0.31 115.95 129.42 2crr h TRP 45 Ca -0.28 -0.01 0.35 0.00 1.08 0.00 0.00 58.89 60.04 2crr h TRP 45 Cb 1.10 0.12 -0.17 0.00 -3.00 0.00 0.00 29.16 27.21 2crr h TRP 45 CO 0.67 -0.09 0.38 -1.71 -1.28 0.00 0.00 178.44 176.41 2crr n ASN 46 N -5.17 0.21 0.04 0.11 5.15 -1.26 0.22 115.26 114.56 2crr n ASN 46 Ca -0.10 1.55 -0.22 0.00 -0.60 0.00 0.00 54.58 55.21 2crr n ASN 46 Cb 0.24 -0.70 -0.14 0.00 -0.53 0.00 0.00 39.78 38.64 2crr n ASN 46 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2crr h ILE 47 N 0.00 0.77 -0.45 -1.44 2.04 -1.85 -3.49 117.51 113.09 2crr h ILE 47 Ca 0.73 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2crr h ILE 47 Cb 1.85 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 40.55 2crr h ILE 47 CO -0.75 0.88 0.00 0.61 0.00 0.00 0.00 178.15 178.89 2crr n GLY 48 N 1.93 0.59 3.38 5.37 0.00 0.13 -4.79 105.19 111.81 2crr n GLY 48 Ca -0.28 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2crr n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crr s VAL 49 N -1.66 0.03 -0.21 1.61 -7.23 -0.90 -1.65 120.40 110.40 2crr s VAL 49 Ca 0.00 -0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 59.77 2crr s VAL 49 Cb 0.00 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2crr s VAL 49 CO 0.00 -0.15 0.27 -0.36 -0.31 0.00 0.00 175.10 174.55 2crr s PHE 50 N -2.49 3.37 0.34 2.82 0.40 -1.26 -0.76 117.98 120.40 2crr s PHE 50 Ca -0.05 0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.76 2crr s PHE 50 Cb -0.01 -2.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.09 2crr s PHE 50 CO -0.02 0.08 0.06 0.96 0.70 0.00 0.00 175.22 177.00 2crr s ILE 51 N 1.01 1.18 0.69 0.64 -4.36 -0.97 -2.84 121.20 116.56 2crr s ILE 51 Ca 0.13 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.48 2crr s ILE 51 Cb -0.14 -2.76 0.08 0.00 1.25 0.00 0.00 42.46 40.89 2crr s ILE 51 CO 0.05 0.00 0.98 0.00 0.24 0.00 0.00 174.94 176.21 2crr h ILE 53 N -0.53 1.20 0.61 0.00 6.09 -1.92 -1.69 117.51 121.27 2crr h ILE 53 Ca -0.42 -0.79 -0.03 0.00 -1.37 0.00 0.00 64.86 62.24 2crr h ILE 53 Cb 1.30 0.93 0.01 0.00 0.47 0.00 0.00 36.82 39.52 2crr h ILE 53 CO 0.53 0.27 -0.29 -0.09 -3.07 0.00 0.00 178.15 175.50 2crr h ARG 54 N 0.52 -0.79 -0.83 2.19 1.12 -2.02 -2.69 114.38 111.88 2crr h ARG 54 Ca 0.11 0.05 0.11 0.00 -1.11 0.00 0.00 59.98 59.15 2crr h ARG 54 Cb 0.33 0.18 -0.06 0.00 -0.01 0.00 0.00 29.97 30.41 2crr h ARG 54 CO 0.01 -0.53 0.54 0.00 -3.11 0.00 0.00 179.97 176.88 2crr h ALA 56 N 1.59 0.21 -0.96 0.00 0.00 -1.16 -0.84 119.26 118.10 2crr h ALA 56 Ca 0.39 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.72 2crr h ALA 56 Cb 0.51 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 2crr h ALA 56 CO -0.16 -0.49 0.49 0.78 0.00 0.00 0.00 179.25 179.86 2crr h GLY 57 N -0.05 1.78 0.95 0.00 0.00 -1.04 0.87 103.07 105.58 2crr h GLY 57 Ca 0.20 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 2crr h GLY 57 CO -0.45 -0.33 -0.24 -2.22 0.00 0.00 0.00 176.54 173.30 2crr h ILE 58 N 0.42 1.30 -0.24 2.60 5.03 -1.26 -3.23 117.51 122.13 2crr h ILE 58 Ca 0.63 -1.39 0.06 0.00 -0.12 0.00 0.00 64.86 64.04 2crr h ILE 58 Cb 1.28 1.55 -0.07 0.00 -3.03 0.00 0.00 36.82 36.55 2crr h ILE 58 CO -0.55 0.45 -0.19 0.45 -0.68 0.00 0.00 178.15 177.63 2crr h HIS 59 N 0.42 -0.50 -0.77 1.37 3.86 -0.18 -1.54 115.15 117.81 2crr h HIS 59 Ca 0.05 0.03 0.18 0.00 -1.16 0.00 0.00 60.37 59.48 2crr h HIS 59 Cb 0.80 0.26 -0.12 0.00 1.06 0.00 0.00 27.41 29.40 2crr h HIS 59 CO 0.07 -0.27 0.13 0.00 0.86 0.00 0.00 177.93 178.72 2crr h ARG 60 N -0.19 0.19 -0.11 2.45 3.08 -1.39 -0.41 114.38 118.01 2crr h ARG 60 Ca 0.14 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.20 2crr h ARG 60 Cb 0.40 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2crr h ARG 60 CO -0.35 0.13 -0.07 -0.91 -1.07 0.00 0.00 179.97 177.70 2crr h ASN 61 N 0.20 -0.22 -0.75 7.04 2.35 -1.32 -2.92 115.58 119.97 2crr h ASN 61 Ca 0.44 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 56.33 2crr h ASN 61 Cb 0.80 0.12 -0.10 0.00 0.05 0.00 0.00 38.32 39.19 2crr h ASN 61 CO -0.59 -0.09 -0.38 0.18 -1.65 0.00 0.00 177.43 174.89 2crr n LEU 62 N -5.20 -0.67 0.00 1.61 4.77 -0.16 -4.84 117.00 112.50 2crr n LEU 62 Ca -0.04 1.32 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2crr n LEU 62 Cb 0.13 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2crr n LEU 62 CO 0.26 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 175.81 2crr n GLY 63 N -1.25 4.38 0.46 -0.72 0.00 -1.10 -4.81 105.19 102.14 2crr n GLY 63 Ca 0.04 -0.67 0.30 0.00 0.00 0.00 0.00 46.02 45.69 2crr n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crr h VAL 64 N 0.00 0.40 -0.42 1.61 -1.51 -1.77 0.60 116.25 115.16 2crr h VAL 64 Ca 0.00 -0.07 -0.14 0.00 -1.23 0.00 0.00 66.70 65.26 2crr h VAL 64 Cb 0.00 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.31 2crr h VAL 64 CO 0.00 0.04 -0.29 1.12 -1.23 0.00 0.00 177.57 177.21 2crr h HIS 65 N 0.22 1.06 -0.06 5.19 -0.00 -1.97 -3.20 115.15 116.38 2crr h HIS 65 Ca 0.64 -0.28 -0.22 0.00 -0.00 0.00 0.00 60.37 60.52 2crr h HIS 65 Cb 1.98 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 29.16 2crr h HIS 65 CO -0.00 1.08 -0.80 0.82 -0.00 0.00 0.00 177.93 179.02 2crr h ILE 66 N 0.77 1.32 -1.54 6.12 2.04 -0.28 -3.47 117.51 122.46 2crr h ILE 66 Ca 0.09 -2.07 0.07 0.00 1.00 0.00 0.00 64.86 63.95 2crr h ILE 66 Cb 0.86 2.28 -0.27 0.00 -0.74 0.00 0.00 36.82 38.94 2crr h ILE 66 CO 0.08 0.64 0.50 -0.55 0.00 0.00 0.00 178.15 178.81 2crr s SER 67 N -7.04 -0.41 -0.37 1.72 0.15 0.53 -4.83 113.70 103.45 2crr s SER 67 Ca -0.11 0.78 -0.03 0.00 0.70 0.00 0.00 55.95 57.29 2crr s SER 67 Cb 0.07 0.80 0.08 0.00 -1.71 0.00 0.00 66.02 65.25 2crr s SER 67 CO 0.88 -0.14 0.14 -0.13 1.20 0.00 0.00 173.24 175.20 2crr s ARG 68 N 0.20 2.22 0.27 5.44 0.52 -1.26 -3.85 118.95 122.49 2crr s ARG 68 Ca 0.04 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 2crr s ARG 68 Cb -0.05 -3.47 -0.09 0.00 0.52 0.00 0.00 34.95 31.86 2crr s ARG 68 CO -0.07 -0.90 1.06 0.08 0.02 0.00 0.00 175.30 175.49 2crr s VAL 69 N 1.21 3.63 -0.18 3.52 1.01 -1.26 -4.23 120.40 124.11 2crr s VAL 69 Ca 0.03 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 2crr s VAL 69 Cb -0.22 -4.05 0.13 0.00 0.00 0.00 0.00 36.38 32.24 2crr s VAL 69 CO -0.02 0.39 1.01 -1.59 0.00 0.00 0.00 175.10 174.89 2crr s LYS 70 N -1.39 0.58 0.90 2.72 -2.85 -1.24 -5.03 119.74 113.42 2crr s LYS 70 Ca 0.44 0.22 -0.11 0.00 -1.00 0.00 0.00 55.97 55.52 2crr s LYS 70 Cb -0.30 0.27 0.13 0.00 -2.06 0.00 0.00 37.83 35.87 2crr s LYS 70 CO 0.39 -0.16 1.12 0.43 0.10 0.00 0.00 175.35 177.23 2crr n SER 71 N 0.99 0.35 -0.00 0.03 7.64 -1.26 -3.35 113.62 118.01 2crr n SER 71 Ca -0.11 0.45 -0.21 0.00 1.01 0.00 0.00 58.87 60.01 2crr n SER 71 Cb 0.58 -1.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.17 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2crr h VAL 72 N -1.69 0.94 0.00 0.44 2.07 -1.86 -3.36 116.25 112.79 2crr h VAL 72 Ca -0.44 -2.37 -0.09 0.00 0.82 0.00 0.00 66.70 64.63 2crr h VAL 72 Cb 1.28 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 2crr h VAL 72 CO 0.42 0.70 -1.14 -3.20 0.02 0.00 0.00 177.57 174.37 2crr n ASN 73 N -3.89 1.90 -0.20 0.57 5.15 -1.26 -4.62 115.26 112.90 2crr n ASN 73 Ca -0.27 0.42 -0.09 0.00 -0.60 0.00 0.00 54.58 54.04 2crr n ASN 73 Cb 0.91 -0.80 -0.07 0.00 -0.53 0.00 0.00 39.78 39.28 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2crr h LEU 74 N -1.00 -1.47-10.32 1.20 3.38 -1.99 -3.41 115.31 101.70 2crr h LEU 74 Ca -0.14 0.21 -0.51 0.00 0.09 0.00 0.00 57.88 57.53 2crr h LEU 74 Cb 0.99 0.63 0.13 0.00 0.09 0.00 0.00 40.66 42.50 2crr h LEU 74 CO -0.08 -0.23 0.31 -1.81 0.09 0.00 0.00 178.44 176.72 2crr s ASP 75 N -4.62 4.44 -0.03 -0.43 1.11 -1.26 -5.03 116.67 110.84 2crr s ASP 75 Ca -0.10 1.80 -0.11 0.00 0.18 0.00 0.00 52.55 54.32 2crr s ASP 75 Cb 0.07 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.51 2crr s ASP 75 CO 0.45 -2.08 0.30 -1.10 1.18 0.00 0.00 175.17 173.93 2crr s GLN 76 N -4.91 3.71 0.18 8.23 -0.21 -1.26 -4.77 119.66 120.63 2crr s GLN 76 Ca 0.61 0.16 0.10 0.00 0.02 0.00 0.00 55.36 56.25 2crr s GLN 76 Cb -0.17 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2crr s GLN 76 CO 0.56 0.71 -0.21 -1.58 -2.12 0.00 0.00 175.29 172.65 2crr s TRP 77 N -1.11 2.07 0.30 0.91 0.52 -1.26 -5.12 118.94 115.25 2crr s TRP 77 Ca 0.22 -0.41 0.11 0.00 0.02 0.00 0.00 56.10 56.04 2crr s TRP 77 Cb -0.15 -1.02 -0.05 0.00 -1.15 0.00 0.00 33.47 31.10 2crr s TRP 77 CO 0.11 0.43 -0.17 0.95 0.02 0.00 0.00 176.95 178.29 2crr s THR 78 N -1.88 2.41 0.31 2.01 -4.23 -1.26 -4.96 115.64 108.04 2crr s THR 78 Ca 0.19 -2.35 0.07 0.00 -1.18 0.00 0.00 61.69 58.41 2crr s THR 78 Cb -0.07 -2.40 0.33 0.00 1.34 0.00 0.00 72.50 71.70 2crr s THR 78 CO 0.08 -0.34 1.64 0.00 -0.54 0.00 0.00 174.62 175.46 2crr h ALA 79 N 2.20 1.52 -0.24 3.99 0.00 -2.01 0.26 119.26 124.97 2crr h ALA 79 Ca -0.41 0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2crr h ALA 79 Cb 1.26 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 2crr h ALA 79 CO 0.63 -0.55 -0.08 0.93 0.00 0.00 0.00 179.25 180.18 2crr h GLU 80 N 0.19 -0.03 0.00 0.00 4.39 -1.99 0.20 114.58 117.34 2crr h GLU 80 Ca 0.63 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.33 2crr h GLU 80 Cb 1.37 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2crr h GLU 80 CO -0.69 -0.02 -0.00 1.96 -1.16 0.00 0.00 179.01 179.10 2crr h GLN 81 N -0.04 -0.00 -0.29 2.33 7.50 -1.03 -2.99 115.11 120.60 2crr h GLN 81 Ca 0.12 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.34 2crr h GLN 81 Cb 0.22 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.68 2crr h GLN 81 CO -0.27 0.42 -0.18 0.82 -1.50 0.00 0.00 178.83 178.12 2crr h ILE 82 N -0.42 0.49 -0.67 2.54 1.08 -0.54 -1.52 117.51 118.47 2crr h ILE 82 Ca -0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 2crr h ILE 82 Cb 0.42 0.49 -0.10 0.00 -3.07 0.00 0.00 36.82 34.56 2crr h ILE 82 CO 0.00 0.00 0.15 -0.61 -0.69 0.00 0.00 178.15 177.00 2crr h GLN 83 N -0.15 0.26 -0.08 2.37 5.75 -0.64 -1.62 115.11 120.99 2crr h GLN 83 Ca 0.15 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.67 2crr h GLN 83 Cb 0.38 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 2crr h GLN 83 CO -0.38 0.17 -0.16 0.00 -2.65 0.00 0.00 178.83 175.81 2crr h MET 85 N -0.22 0.07 0.02 0.00 2.86 -0.75 0.29 114.93 117.20 2crr h MET 85 Ca 0.08 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2crr h MET 85 Cb 0.33 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2crr h MET 85 CO -0.21 0.05 -0.01 1.96 1.06 0.00 0.00 176.91 179.75 2crr h GLN 86 N 0.07 -0.03 -0.01 1.72 7.50 -1.22 0.24 115.11 123.38 2crr h GLN 86 Ca 0.48 0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.66 2crr h GLN 86 Cb 0.89 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.37 2crr h GLN 86 CO -0.77 0.52 -0.50 -0.44 -1.50 0.00 0.00 178.83 176.13 2crr h ASP 87 N -0.59 -1.55 0.00 1.46 5.19 0.64 -3.35 116.42 118.22 2crr h ASP 87 Ca -0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2crr h ASP 87 Cb 0.56 0.59 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2crr h ASP 87 CO 0.00 -0.50 0.00 0.80 -3.12 0.00 0.00 179.24 176.42 2crr n MET 88 N -5.46 0.00 -1.17 3.56 1.56 0.88 -4.94 117.12 111.56 2crr n MET 88 Ca -0.07 0.35 0.15 0.00 -0.27 0.00 0.00 57.70 57.86 2crr n MET 88 Cb 0.39 -0.84 -0.05 0.00 2.15 0.00 0.00 33.22 34.87 2crr n MET 88 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2crr n GLY 89 N 2.11 -2.16 0.20 -5.12 0.00 0.83 -3.48 105.19 97.58 2crr n GLY 89 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 2crr n GLY 89 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crr h ASN 90 N -1.10 0.68 -0.34 1.61 4.21 -1.83 -2.43 115.58 116.38 2crr h ASN 90 Ca -0.03 -0.41 0.03 0.00 1.21 0.00 0.00 56.30 57.10 2crr h ASN 90 Cb 1.08 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 38.05 2crr h ASN 90 CO 0.02 0.94 -0.21 0.74 -1.29 0.00 0.00 177.43 177.64 2crr h THR 91 N 0.41 0.00 -0.06 2.81 2.02 -1.81 -0.99 112.91 115.29 2crr h THR 91 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 2crr h THR 91 Cb 0.69 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2crr h THR 91 CO 0.05 0.00 0.03 0.11 0.37 0.00 0.00 175.52 176.08 2crr h LYS 92 N -0.01 0.09 -0.87 6.66 1.57 -1.64 -2.79 116.57 119.58 2crr h LYS 92 Ca 0.05 -0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.18 2crr h LYS 92 Cb 0.15 -0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.29 2crr h LYS 92 CO -0.32 0.18 0.46 0.00 -0.57 0.00 0.00 179.45 179.19 2crr n ALA 93 N -2.17 0.88 -0.02 3.86 0.00 -0.66 0.21 120.51 122.60 2crr n ALA 93 Ca -0.06 0.88 -0.17 0.00 0.00 0.00 0.00 53.44 54.09 2crr n ALA 93 Cb 0.09 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2crr n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2crr h ARG 94 N 0.00 0.75 0.00 0.00 3.08 -0.94 0.53 114.38 117.80 2crr h ARG 94 Ca 0.73 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2crr h ARG 94 Cb 1.93 0.13 0.00 0.00 0.08 0.00 0.00 29.97 32.11 2crr h ARG 94 CO -0.67 1.23 0.00 1.28 -1.07 0.00 0.00 179.97 180.74 2crr n LEU 95 N -3.99 0.34 -0.03 3.04 4.77 0.56 -1.26 117.00 120.44 2crr n LEU 95 Ca -0.08 0.58 -0.04 0.00 -0.03 0.00 0.00 56.01 56.44 2crr n LEU 95 Cb 0.73 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2crr n LEU 95 CO 0.52 -0.36 -0.31 -0.11 -1.33 0.00 0.00 177.39 175.80 2crr n LEU 96 N -1.87 1.18 0.04 2.23 -0.00 0.67 -4.31 117.00 114.95 2crr n LEU 96 Ca 0.03 0.19 -0.13 0.00 -0.00 0.00 0.00 56.01 56.10 2crr n LEU 96 Cb 0.22 -0.52 -0.09 0.00 -0.00 0.00 0.00 43.42 43.04 2crr n LEU 96 CO 0.18 -0.46 0.60 1.88 -0.00 0.00 0.00 177.39 179.59 2crr h TYR 97 N -0.46 -0.12 -0.55 1.96 -1.99 -0.06 0.32 116.97 116.07 2crr h TYR 97 Ca 0.00 -0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.36 2crr h TYR 97 Cb 0.46 0.04 -0.16 0.00 2.00 0.00 0.00 36.73 39.06 2crr h TYR 97 CO -0.20 0.29 0.47 0.39 -0.00 0.00 0.00 178.16 179.11 2crr n GLU 98 N -4.95 1.90 0.01 4.88 1.02 -0.39 -3.32 120.64 119.80 2crr n GLU 98 Ca -0.09 -1.80 -0.22 0.00 -0.02 0.00 0.00 57.16 55.04 2crr n GLU 98 Cb 0.24 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr h ALA 99 N 1.54 0.39 -0.23 0.62 0.00 -1.44 -3.35 119.26 116.79 2crr h ALA 99 Ca 0.34 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2crr h ALA 99 Cb 1.05 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2crr h ALA 99 CO 0.85 1.26 0.00 0.09 0.00 0.00 0.00 179.25 181.45 2crr n ASN 100 N -3.52 2.84 -4.87 0.00 3.02 -1.15 -4.90 115.26 106.68 2crr n ASN 100 Ca -0.31 -2.36 -0.32 0.00 -0.03 0.00 0.00 54.58 51.57 2crr n ASN 100 Cb 1.04 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 39.61 2crr n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2crr s LEU 101 N -1.10 4.10 0.35 3.41 1.43 -1.26 -4.88 118.68 120.73 2crr s LEU 101 Ca 0.22 1.05 -0.27 0.00 -1.03 0.00 0.00 54.13 54.09 2crr s LEU 101 Cb 0.16 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 2crr s LEU 101 CO 0.07 -0.15 1.21 -2.16 0.23 0.00 0.00 176.35 175.54 2crr s PRO 102 N -3.01 4.27 0.30 1.29 0.04 -1.26 -4.92 135.00 131.70 2crr s PRO 102 Ca 0.50 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.57 2crr s PRO 102 Cb -0.11 -2.92 0.80 0.00 0.04 0.00 0.00 34.50 32.32 2crr s PRO 102 CO 0.21 -0.18 1.68 1.49 0.04 0.00 0.00 177.00 180.24 2crr h GLU 103 N 3.12 0.34 -1.26 4.56 4.81 -1.98 0.28 114.58 124.46 2crr h GLU 103 Ca -0.48 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.03 2crr h GLU 103 Cb 1.23 -0.08 -0.28 0.00 0.63 0.00 0.00 28.75 30.25 2crr h GLU 103 CO 0.64 0.23 0.92 0.27 -0.73 0.00 0.00 179.01 180.34 2crr n ASN 104 N -5.08 7.66 -4.74 1.04 2.04 -1.26 -5.01 115.26 109.91 2crr n ASN 104 Ca 0.24 -3.79 -0.36 0.00 -0.44 0.00 0.00 54.58 50.23 2crr n ASN 104 Cb 0.73 -1.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.03 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2crr s PHE 105 N -3.86 2.20 -0.22 -2.53 2.19 1.00 -5.02 117.98 111.74 2crr s PHE 105 Ca 0.61 1.52 -0.02 0.00 0.33 0.00 0.00 56.93 59.37 2crr s PHE 105 Cb 0.49 -3.57 0.07 0.00 -1.31 0.00 0.00 43.02 38.70 2crr s PHE 105 CO -0.11 -2.58 0.03 1.03 1.83 0.00 0.00 175.22 175.42 2crr s ARG 106 N -3.46 0.84 0.33 10.12 0.52 -1.26 -5.05 118.95 120.98 2crr s ARG 106 Ca 0.79 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 2crr s ARG 106 Cb -0.33 -2.18 -0.10 0.00 0.52 0.00 0.00 34.95 32.86 2crr s ARG 106 CO 0.38 -0.69 1.32 -0.98 0.02 0.00 0.00 175.30 175.35 2crr s ARG 107 N 1.74 4.34 0.24 3.54 1.70 -1.26 -4.97 118.95 124.28 2crr s ARG 107 Ca -0.00 2.24 -0.30 0.00 -0.47 0.00 0.00 55.73 57.20 2crr s ARG 107 Cb -0.17 -3.07 -0.09 0.00 -0.57 0.00 0.00 34.95 31.05 2crr s ARG 107 CO -0.11 -0.22 1.27 -1.25 -1.08 0.00 0.00 175.30 173.92 2crr s PRO 108 N -1.73 4.42 -0.19 3.89 0.04 -1.26 -4.96 135.00 135.22 2crr s PRO 108 Ca 0.50 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.60 2crr s PRO 108 Cb -0.40 -3.17 -0.21 0.00 0.04 0.00 0.00 34.50 30.76 2crr s PRO 108 CO 0.53 -0.16 0.06 0.94 0.04 0.00 0.00 177.00 178.41 2crr n GLN 109 N 1.96 0.69 -2.49 4.56 -0.06 -1.26 -4.61 117.38 116.17 2crr n GLN 109 Ca 0.03 0.18 -0.43 0.00 -2.00 0.00 0.00 57.00 54.79 2crr n GLN 109 Cb 0.43 -1.60 -0.02 0.00 -4.06 0.00 0.00 30.24 24.98 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2crr s THR 110 N -2.53 4.37 0.17 1.69 -4.23 -1.26 -4.91 115.64 108.93 2crr s THR 110 Ca -0.26 1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 61.80 2crr s THR 110 Cb 0.08 -4.07 0.20 0.00 1.34 0.00 0.00 72.50 70.04 2crr s THR 110 CO 0.70 -0.10 1.11 0.47 -0.54 0.00 0.00 174.62 176.26 2crr n ASP 111 N 6.11 -0.43 -0.08 3.99 9.92 -1.26 -0.82 116.55 133.97 2crr n ASP 111 Ca 0.13 1.24 -0.02 0.00 -0.53 0.00 0.00 54.79 55.61 2crr n ASP 111 Cb 0.46 -0.30 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 2crr n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crr n GLN 112 N -5.07 -0.09 0.01 -1.24 6.02 -1.26 -0.21 117.38 115.55 2crr n GLN 112 Ca 0.08 0.87 -0.10 0.00 -0.01 0.00 0.00 57.00 57.84 2crr n GLN 112 Cb 0.30 -1.30 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2crr h ALA 113 N -0.49 0.01 -0.78 -1.58 0.00 -1.38 -2.80 119.26 112.25 2crr h ALA 113 Ca 0.03 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.11 2crr h ALA 113 Cb 0.08 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 2crr h ALA 113 CO -0.18 -0.53 -0.32 0.28 0.00 0.00 0.00 179.25 178.50 2crr h VAL 114 N -0.07 0.12 -0.42 0.00 2.07 -0.15 0.25 116.25 118.04 2crr h VAL 114 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 2crr h VAL 114 Cb 0.15 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 2crr h VAL 114 CO -0.12 0.00 -0.24 -0.08 0.02 0.00 0.00 177.57 177.15 2crr h GLU 115 N -0.07 -0.16 -0.40 1.57 4.81 -0.32 -1.29 114.58 118.73 2crr h GLU 115 Ca 0.31 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2crr h GLU 115 Cb 0.58 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2crr h GLU 115 CO -0.82 -0.10 0.21 0.74 -0.73 0.00 0.00 179.01 178.30 2crr h PHE 116 N -0.16 0.57 -0.46 0.92 0.04 -0.84 0.06 116.94 117.05 2crr h PHE 116 Ca 0.20 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.02 2crr h PHE 116 Cb 0.48 -0.18 -0.10 0.00 2.20 0.00 0.00 35.95 38.35 2crr h PHE 116 CO -0.48 0.45 -0.42 0.35 -0.60 0.00 0.00 178.31 177.62 2crr h PHE 117 N 0.51 -1.21 -0.25 -0.55 3.57 0.48 0.67 116.94 120.17 2crr h PHE 117 Ca 0.14 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 2crr h PHE 117 Cb 0.09 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2crr h PHE 117 CO -0.02 -0.43 -0.39 0.82 -2.23 0.00 0.00 178.31 176.06 2crr h ILE 118 N -0.28 1.30 0.00 1.41 2.04 -1.27 0.70 117.51 121.40 2crr h ILE 118 Ca 0.16 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.47 2crr h ILE 118 Cb 0.57 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2crr h ILE 118 CO -0.61 0.49 0.00 0.54 0.00 0.00 0.00 178.15 178.57 2crr n ARG 119 N -4.04 0.06 -0.00 2.37 1.74 -0.00 -0.92 116.66 115.87 2crr n ARG 119 Ca -0.02 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2crr n ARG 119 Cb 0.51 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2crr n ARG 119 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2crr n ASP 120 N -1.45 3.26 -0.03 0.55 8.00 0.22 -2.99 116.55 124.11 2crr n ASP 120 Ca 0.05 -0.17 -0.20 0.00 0.71 0.00 0.00 54.79 55.18 2crr n ASP 120 Cb 0.18 1.00 -0.14 0.00 -0.02 0.00 0.00 41.12 42.15 2crr n ASP 120 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2crr n LYS 121 N -1.33 0.72 -0.11 -1.24 4.81 0.24 -1.50 118.16 119.76 2crr n LYS 121 Ca -0.00 0.23 -0.17 0.00 -0.87 0.00 0.00 58.31 57.50 2crr n LYS 121 Cb 0.00 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.33 2crr n LYS 121 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2crr n TYR 122 N -3.39 0.11 0.09 5.64 4.02 -0.10 -3.51 117.16 120.03 2crr n TYR 122 Ca -0.35 0.05 -0.04 0.00 -0.01 0.00 0.00 57.90 57.56 2crr n TYR 122 Cb 1.04 -0.72 -0.02 0.00 -0.02 0.00 0.00 39.34 39.62 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2crr h GLU 123 N -1.00 -0.22 0.00 -0.72 4.22 -1.69 -3.08 114.58 112.09 2crr h GLU 123 Ca -0.27 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.15 2crr h GLU 123 Cb 1.20 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2crr h GLU 123 CO -0.16 -0.15 -0.17 0.87 -2.18 0.00 0.00 179.01 177.22 2crr h LYS 124 N -0.23 0.00 -3.78 1.92 1.79 -1.68 -3.47 116.57 111.13 2crr h LYS 124 Ca -0.02 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.12 2crr h LYS 124 Cb 0.18 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.88 2crr h LYS 124 CO 0.04 0.17 -0.50 1.63 -1.08 0.00 0.00 179.45 179.71 2crr n LYS 125 N -4.00 -4.13 0.00 3.15 4.76 -1.16 -4.95 118.16 111.83 2crr n LYS 125 Ca -0.02 0.74 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2crr n LYS 125 Cb 0.26 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 28.20 2crr n LYS 125 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2crr n LYS 126 N -3.46 0.00 0.20 1.97 5.02 -0.56 -3.17 118.16 118.17 2crr n LYS 126 Ca -0.09 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.75 2crr n LYS 126 Cb 0.60 -1.41 0.57 0.00 -0.02 0.00 0.00 35.03 34.77 2crr n LYS 126 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2crr h TYR 127 N 0.00 0.00 -1.82 2.13 -1.99 -1.80 -3.45 116.97 110.05 2crr h TYR 127 Ca 0.00 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 60.06 2crr h TYR 127 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 2crr h TYR 127 CO 0.19 0.00 0.97 0.98 -0.00 0.00 0.00 178.16 180.30 2crr n TYR 128 N -2.65 2.17 -2.58 4.88 9.36 -1.19 -2.95 117.16 124.21 2crr n TYR 128 Ca 0.02 0.27 -0.43 0.00 3.32 0.00 0.00 57.90 61.08 2crr n TYR 128 Cb 0.28 -2.56 -0.02 0.00 -0.63 0.00 0.00 39.34 36.41 2crr n TYR 128 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2crr s ASP 129 N 3.53 6.53 -0.02 2.98 2.15 0.11 -4.87 116.67 127.08 2crr s ASP 129 Ca 0.94 0.30 -0.06 0.00 0.43 0.00 0.00 52.55 54.16 2crr s ASP 129 Cb -0.86 -2.55 -0.29 0.00 -0.30 0.00 0.00 42.92 38.91 2crr s ASP 129 CO 0.57 -1.38 0.78 0.07 -0.17 0.00 0.00 175.17 175.04 2crr h LYS 130 N 9.45 0.32 -0.88 4.34 5.09 -1.89 -3.34 116.57 129.65 2crr h LYS 130 Ca -0.24 -0.54 0.36 0.00 0.09 0.00 0.00 60.65 60.32 2crr h LYS 130 Cb 1.06 0.20 -0.15 0.00 0.10 0.00 0.00 32.23 33.44 2crr h LYS 130 CO 1.16 1.20 0.48 0.09 -2.09 0.00 0.00 179.45 180.29 2crr n ASN 131 N -3.51 0.29 -0.31 7.07 4.13 -1.26 0.67 115.26 122.34 2crr n ASN 131 Ca -0.20 1.41 0.09 0.00 1.68 0.00 0.00 54.58 57.56 2crr n ASN 131 Cb 1.06 -0.69 0.21 0.00 -1.54 0.00 0.00 39.78 38.82 2crr n ASN 131 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2crr h ALA 132 N 1.69 0.92 -6.79 5.41 0.00 -1.99 -3.44 119.26 115.06 2crr h ALA 132 Ca 0.73 0.31 -0.43 0.00 0.00 0.00 0.00 54.91 55.52 2crr h ALA 132 Cb 1.96 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 20.22 2crr h ALA 132 CO -0.64 -0.48 -0.70 -0.89 0.00 0.00 0.00 179.25 176.54 2crr n ILE 133 N -5.45 -1.25 -3.98 0.00 2.08 0.21 -4.90 119.36 106.07 2crr n ILE 133 Ca 0.18 -0.38 -0.09 0.00 0.56 0.00 0.00 62.75 63.02 2crr n ILE 133 Cb 0.59 -1.12 -0.10 0.00 -0.75 0.00 0.00 39.64 38.27 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2crr s ALA 134 N -3.97 0.11 -0.71 -1.39 0.00 -1.26 -4.93 121.76 109.61 2crr s ALA 134 Ca 0.17 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2crr s ALA 134 Cb -0.10 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 2crr s ALA 134 CO 0.69 -0.33 0.60 -0.89 0.00 0.00 0.00 175.76 175.84 2crr n ILE 135 N 0.63 -4.56 -2.33 0.00 5.41 -1.26 -4.94 119.36 112.31 2crr n ILE 135 Ca -0.18 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.64 2crr n ILE 135 Cb 0.59 -4.46 -0.02 0.00 -0.71 0.00 0.00 39.64 35.04 2crr n ILE 135 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2crr s SER 136 N -3.63 6.48 -0.04 4.38 1.04 -1.26 -4.99 113.70 115.68 2crr s SER 136 Ca 0.10 1.16 -0.27 0.00 0.48 0.00 0.00 55.95 57.42 2crr s SER 136 Cb -0.01 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2crr s SER 136 CO 0.45 -1.25 0.86 -0.83 0.98 0.00 0.00 173.24 173.45 2crr s GLY 137 N 3.55 2.72 0.25 7.32 0.00 -1.26 -5.03 107.32 114.88 2crr s GLY 137 Ca 0.62 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.37 2crr s GLY 137 CO 0.28 1.49 1.27 2.56 0.00 0.00 0.00 173.10 178.69 2crr s PRO 138 N 1.04 4.43 0.26 2.90 0.04 -1.26 -5.04 135.00 137.37 2crr s PRO 138 Ca 0.45 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.57 2crr s PRO 138 Cb -0.19 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2crr s PRO 138 CO 0.23 -0.14 0.41 0.45 0.04 0.00 0.00 177.00 177.98 2crr s SER 139 N -0.12 6.32 -0.02 6.66 0.15 -1.26 -5.04 113.70 120.39 2crr s SER 139 Ca 0.52 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.38 2crr s SER 139 Cb -0.36 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2crr s SER 139 CO 0.43 -0.12 -0.05 -1.20 1.20 0.00 0.00 173.24 173.50 2crr n SER 140 N -1.36 0.46 0.00 5.45 7.64 -1.26 -5.35 113.62 119.20 2crr n SER 140 Ca -0.07 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2crr n SER 140 Cb 0.56 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2crr n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64