#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 -0.80 -0.29 1.61 0.01 -1.26 -5.16 113.70 107.81 2crr s SER 2 Ca 0.00 1.22 -0.15 0.00 1.31 0.00 0.00 55.95 58.33 2crr s SER 2 Cb 0.00 1.51 0.14 0.00 0.21 0.00 0.00 66.02 67.88 2crr s SER 2 CO 0.00 -0.19 0.90 -0.94 0.41 0.00 0.00 173.24 173.42 2crr s SER 3 N 1.83 -0.67 0.00 2.44 1.04 -1.26 -5.03 113.70 112.05 2crr s SER 3 Ca -0.08 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2crr s SER 3 Cb -0.06 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.57 2crr s SER 3 CO -0.18 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2crr n GLY 4 N 4.40 0.76 3.43 7.32 0.00 -1.26 -5.12 105.19 114.73 2crr n GLY 4 Ca -0.15 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2crr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crr s SER 5 N -2.40 3.41 0.14 1.61 0.15 -1.26 -5.05 113.70 110.30 2crr s SER 5 Ca 0.00 -0.93 -0.31 0.00 0.70 0.00 0.00 55.95 55.41 2crr s SER 5 Cb 0.00 -0.26 -0.09 0.00 -1.71 0.00 0.00 66.02 63.96 2crr s SER 5 CO 0.00 0.07 1.53 -1.28 1.20 0.00 0.00 173.24 174.76 2crr h SER 6 N 2.87 -1.97 -3.97 5.45 0.87 -2.07 -3.42 113.55 111.30 2crr h SER 6 Ca -0.44 0.28 -0.15 0.00 -1.23 0.00 0.00 61.79 60.25 2crr h SER 6 Cb 1.23 0.84 -0.25 0.00 -0.44 0.00 0.00 62.40 63.78 2crr h SER 6 CO 0.53 -0.30 -0.39 -0.83 -0.53 0.00 0.00 176.83 175.31 2crr s GLY 7 N -2.39 -0.19 -0.18 5.77 0.00 -1.26 -5.16 107.32 103.90 2crr s GLY 7 Ca -0.13 0.71 -0.28 0.00 0.00 0.00 0.00 44.72 45.03 2crr s GLY 7 CO 0.60 0.59 0.85 1.25 0.00 0.00 0.00 173.10 176.40 2crr s LYS 8 N -0.03 0.76 -1.13 2.90 2.20 -1.26 -5.09 119.74 118.08 2crr s LYS 8 Ca -0.02 0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 2crr s LYS 8 Cb -0.02 0.36 0.22 0.00 -1.51 0.00 0.00 37.83 36.88 2crr s LYS 8 CO 0.01 -0.17 1.23 0.00 -0.36 0.00 0.00 175.35 176.05 2crr s ALA 9 N -0.46 4.33 0.00 3.13 0.00 -1.26 -4.61 121.76 122.89 2crr s ALA 9 Ca -0.03 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.37 2crr s ALA 9 Cb -0.02 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2crr s ALA 9 CO 0.02 -2.48 0.00 0.00 0.00 0.00 0.00 175.76 173.30 2crr n GLN 10 N 4.19 0.00 -0.02 0.00 10.64 -1.26 -4.77 117.38 126.17 2crr n GLN 10 Ca 0.29 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.30 2crr n GLN 10 Cb 0.42 -0.55 -0.10 0.00 -0.86 0.00 0.00 30.24 29.14 2crr n GLN 10 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2crr h LYS 11 N 0.00 0.32 -0.97 2.61 1.79 -2.03 -3.27 116.57 115.02 2crr h LYS 11 Ca 0.00 -0.29 0.31 0.00 -2.18 0.00 0.00 60.65 58.49 2crr h LYS 11 Cb 0.89 0.07 -0.17 0.00 -1.58 0.00 0.00 32.23 31.44 2crr h LYS 11 CO 0.00 0.96 0.29 1.25 -1.08 0.00 0.00 179.45 180.87 2crr h LEU 12 N -0.22 -0.01 -7.55 2.94 5.85 -1.88 -2.78 115.31 111.64 2crr h LEU 12 Ca -0.04 0.24 -0.74 0.00 0.84 0.00 0.00 57.88 58.19 2crr h LEU 12 Cb 1.06 0.33 -0.17 0.00 0.37 0.00 0.00 40.66 42.25 2crr h LEU 12 CO 0.08 -0.30 1.45 0.59 -0.34 0.00 0.00 178.44 179.92 2crr n ASN 13 N -5.31 5.21 -3.69 1.25 3.02 -1.23 -4.89 115.26 109.62 2crr n ASN 13 Ca 0.28 -3.00 -0.30 0.00 -0.03 0.00 0.00 54.58 51.54 2crr n ASN 13 Cb 0.92 -1.56 -0.15 0.00 -0.61 0.00 0.00 39.78 38.38 2crr n ASN 13 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2crr s GLU 14 N 1.42 0.71 -0.09 3.52 2.56 -1.05 -4.97 118.70 120.79 2crr s GLU 14 Ca 0.43 -1.15 -0.00 0.00 0.00 0.00 0.00 54.97 54.25 2crr s GLU 14 Cb -0.01 -1.88 -0.03 0.00 2.00 0.00 0.00 34.13 34.21 2crr s GLU 14 CO 0.00 -1.03 -0.07 1.14 -0.56 0.00 0.00 175.26 174.74 2crr s GLN 15 N 1.47 3.01 0.07 4.30 -2.07 -1.26 -5.04 119.66 120.14 2crr s GLN 15 Ca 0.11 -0.56 -0.14 0.00 -1.82 0.00 0.00 55.36 52.95 2crr s GLN 15 Cb -0.18 -2.66 -0.03 0.00 -1.09 0.00 0.00 33.01 29.05 2crr s GLN 15 CO -0.21 0.52 1.19 0.72 -1.32 0.00 0.00 175.29 176.19 2crr n HIS 16 N 2.65 -0.20 -0.16 9.60 8.25 -1.26 -1.38 115.22 132.72 2crr n HIS 16 Ca -0.18 0.57 -0.04 0.00 -0.26 0.00 0.00 57.72 57.81 2crr n HIS 16 Cb 0.53 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 2crr n HIS 16 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2crr n GLN 17 N -4.02 -0.17 -0.05 -0.41 3.00 -1.26 -1.06 117.38 113.42 2crr n GLN 17 Ca 0.01 0.87 -0.03 0.00 -0.01 0.00 0.00 57.00 57.84 2crr n GLN 17 Cb 0.12 -1.29 -0.02 0.00 0.00 0.00 0.00 30.24 29.05 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 -0.44 -0.64 1.08 5.85 -1.64 -2.09 115.31 117.42 2crr h LEU 18 Ca 0.06 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2crr h LEU 18 Cb 0.16 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 2crr h LEU 18 CO -0.36 -0.08 -0.38 -0.38 -0.34 0.00 0.00 178.44 176.90 2crr n ILE 19 N -3.37 -0.44 -0.32 4.05 5.41 -0.22 0.16 119.36 124.63 2crr n ILE 19 Ca -0.00 1.64 0.15 0.00 1.00 0.00 0.00 62.75 65.54 2crr n ILE 19 Cb 0.07 -2.04 0.32 0.00 -0.71 0.00 0.00 39.64 37.28 2crr n ILE 19 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2crr h LEU 20 N 0.00 -0.24 -0.52 1.39 3.38 -0.68 0.63 115.31 119.26 2crr h LEU 20 Ca 0.10 0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2crr h LEU 20 Cb 0.26 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2crr h LEU 20 CO -0.61 -0.30 0.10 -1.28 0.09 0.00 0.00 178.44 176.45 2crr h SER 21 N 0.07 0.82 -0.59 -0.43 0.87 0.18 -2.52 113.55 111.95 2crr h SER 21 Ca 0.60 -0.25 0.15 0.00 -1.23 0.00 0.00 61.79 61.06 2crr h SER 21 Cb 1.28 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 2crr h SER 21 CO -0.81 0.86 0.41 0.11 -0.53 0.00 0.00 176.83 176.87 2crr h LYS 22 N 0.75 0.13 -0.03 2.24 6.56 0.14 -1.65 116.57 124.70 2crr h LYS 22 Ca 0.16 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.71 2crr h LYS 22 Cb 0.38 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2crr h LYS 22 CO 0.01 0.08 -0.11 -0.07 -2.06 0.00 0.00 179.45 177.30 2crr h LEU 23 N 0.13 0.14 -0.97 2.94 3.38 -0.95 -3.24 115.31 116.74 2crr h LEU 23 Ca 0.28 -0.65 0.19 0.00 0.09 0.00 0.00 57.88 57.79 2crr h LEU 23 Cb 0.94 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 2crr h LEU 23 CO -0.04 0.76 0.57 -0.07 0.09 0.00 0.00 178.44 179.76 2crr h LEU 24 N -0.48 0.71 -0.68 1.67 3.38 -1.09 -0.79 115.31 118.03 2crr h LEU 24 Ca -0.01 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.21 2crr h LEU 24 Cb 0.76 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 2crr h LEU 24 CO 0.02 0.23 -0.01 0.03 0.09 0.00 0.00 178.44 178.81 2crr h ARG 25 N 0.70 0.10 -6.44 1.13 3.08 -1.48 -2.99 114.38 108.48 2crr h ARG 25 Ca 0.57 -0.01 -0.61 0.00 0.07 0.00 0.00 59.98 60.00 2crr h ARG 25 Cb 0.90 -0.02 0.11 0.00 0.08 0.00 0.00 29.97 31.04 2crr h ARG 25 CO -0.40 0.07 0.11 0.39 -1.07 0.00 0.00 179.97 179.07 2crr n GLU 26 N -5.31 1.27 0.10 0.04 1.02 -0.30 -4.69 120.64 112.78 2crr n GLU 26 Ca 0.11 0.45 0.07 0.00 -0.02 0.00 0.00 57.16 57.77 2crr n GLU 26 Cb 0.40 -1.81 0.39 0.00 -0.02 0.00 0.00 31.44 30.40 2crr n GLU 26 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crr n GLU 27 N 0.82 0.09 0.14 3.49 2.13 -1.26 -0.47 120.64 125.59 2crr n GLU 27 Ca 0.10 0.57 0.12 0.00 0.66 0.00 0.00 57.16 58.61 2crr n GLU 27 Cb 0.31 -1.79 0.16 0.00 0.27 0.00 0.00 31.44 30.39 2crr n GLU 27 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2crr h ASP 28 N 0.00 0.00 0.00 4.31 3.04 -1.88 -3.31 116.42 118.58 2crr h ASP 28 Ca 0.00 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2crr h ASP 28 Cb 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 2crr h ASP 28 CO 0.00 0.02 -0.07 0.59 -2.04 0.00 0.00 179.24 177.74 2crr n ASN 29 N -2.66 1.82 0.17 4.15 4.13 0.38 -4.55 115.26 118.71 2crr n ASN 29 Ca 0.03 -2.56 0.06 0.00 1.68 0.00 0.00 54.58 53.79 2crr n ASN 29 Cb 0.50 -0.27 0.13 0.00 -1.54 0.00 0.00 39.78 38.61 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 0.00 0.00 -5.22 3.52 1.57 -1.09 -3.41 116.57 111.95 2crr h LYS 30 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 2crr h LYS 30 Cb 0.93 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.10 2crr h LYS 30 CO 0.00 0.33 -0.64 0.71 -0.57 0.00 0.00 179.45 179.29 2crr s TYR 31 N -3.13 1.82 1.04 -1.35 2.02 -1.26 -3.48 117.35 113.00 2crr s TYR 31 Ca 0.04 -0.91 -0.12 0.00 -0.37 0.00 0.00 57.07 55.71 2crr s TYR 31 Cb 0.07 -1.11 0.19 0.00 -0.40 0.00 0.00 41.96 40.71 2crr s TYR 31 CO 0.71 0.03 0.94 0.00 -1.57 0.00 0.00 175.55 175.66 2crr n ALA 33 N -4.52 2.69 0.04 0.00 0.00 -1.06 -3.36 120.51 114.30 2crr n ALA 33 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2crr n ALA 33 Cb 0.54 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.54 0.38 -0.29 0.00 8.00 -1.26 -4.82 116.55 119.09 2crr n ASP 34 Ca 0.15 0.14 0.14 0.00 0.71 0.00 0.00 54.79 55.93 2crr n ASP 34 Cb 0.47 -0.05 0.53 0.00 -0.02 0.00 0.00 41.12 42.04 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 -0.41 -3.29 -0.90 0.00 4.71 -1.21 -4.85 120.64 114.69 2crr n GLU 36 Ca 0.16 0.47 -0.31 0.00 -0.01 0.00 0.00 57.16 57.48 2crr n GLU 36 Cb 0.32 -5.17 0.15 0.00 -1.01 0.00 0.00 31.44 25.73 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2crr s ALA 37 N -2.90 1.60 -0.31 0.62 0.00 -1.26 -4.23 121.76 115.28 2crr s ALA 37 Ca 0.37 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 2crr s ALA 37 Cb -0.20 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2crr s ALA 37 CO 0.46 -2.49 0.59 0.21 0.00 0.00 0.00 175.76 174.52 2crr s LYS 38 N -4.74 3.88 0.00 0.00 2.20 -1.26 -1.81 119.74 118.01 2crr s LYS 38 Ca 0.65 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 2crr s LYS 38 Cb -0.21 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2crr s LYS 38 CO 0.58 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2crr n GLY 39 N 4.49 0.74 3.57 5.54 0.00 -1.23 -4.98 105.19 113.33 2crr n GLY 39 Ca -0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.57 2.52 0.00 1.61 0.04 -1.26 -4.82 135.00 131.52 2crr s PRO 40 Ca 0.00 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.08 2crr s PRO 40 Cb 0.00 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2crr s PRO 40 CO 0.00 -3.83 0.64 -2.13 0.04 0.00 0.00 177.00 171.72 2crr n ARG 41 N 8.42 0.00 -0.80 4.56 3.00 -1.26 -4.63 116.66 125.95 2crr n ARG 41 Ca 0.44 0.24 -0.34 0.00 -0.00 0.00 0.00 57.85 58.18 2crr n ARG 41 Cb 0.47 -1.17 0.12 0.00 0.00 0.00 0.00 32.46 31.87 2crr n ARG 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2crr n TRP 42 N -1.22 -1.73 -3.64 -0.14 7.02 -1.12 -4.56 117.44 112.05 2crr n TRP 42 Ca 0.00 0.27 -0.10 0.00 -1.02 0.00 0.00 57.50 56.65 2crr n TRP 42 Cb 0.00 -1.54 -0.07 0.00 -2.42 0.00 0.00 31.31 27.28 2crr n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crr s ALA 43 N -2.18 -1.95 -0.39 6.99 0.00 -1.25 -2.27 121.76 120.71 2crr s ALA 43 Ca 0.50 1.98 -0.15 0.00 0.00 0.00 0.00 51.96 54.29 2crr s ALA 43 Cb -0.08 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2crr s ALA 43 CO 0.68 -0.28 0.34 0.45 0.00 0.00 0.00 175.76 176.95 2crr s SER 44 N 0.47 6.14 -0.08 0.00 0.15 0.55 -3.86 113.70 117.07 2crr s SER 44 Ca 0.00 -0.64 -0.22 0.00 0.70 0.00 0.00 55.95 55.79 2crr s SER 44 Cb -0.05 -2.18 -0.17 0.00 -1.71 0.00 0.00 66.02 61.90 2crr s SER 44 CO -0.06 -0.44 0.81 4.11 1.20 0.00 0.00 173.24 178.86 2crr h TRP 45 N 8.61 -0.10 -1.69 3.44 5.08 -1.83 0.40 115.95 129.86 2crr h TRP 45 Ca -0.28 -0.00 0.49 0.00 1.08 0.00 0.00 58.89 60.18 2crr h TRP 45 Cb 1.13 0.03 -0.07 0.00 -3.00 0.00 0.00 29.16 27.25 2crr h TRP 45 CO 0.61 0.44 1.21 0.27 -1.28 0.00 0.00 178.44 179.69 2crr n ASN 46 N -4.82 0.01 -0.09 0.11 6.94 -1.26 -0.51 115.26 115.64 2crr n ASN 46 Ca -0.08 0.89 -0.16 0.00 -0.02 0.00 0.00 54.58 55.21 2crr n ASN 46 Cb 0.29 -0.44 -0.08 0.00 -2.36 0.00 0.00 39.78 37.19 2crr n ASN 46 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2crr n ILE 47 N -3.72 1.03 -0.01 1.53 5.41 -1.22 -4.99 119.36 117.39 2crr n ILE 47 Ca 0.39 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2crr n ILE 47 Cb 1.73 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 2crr n ILE 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2crr n GLY 48 N 2.30 0.50 3.27 7.39 0.00 0.13 -4.79 105.19 114.00 2crr n GLY 48 Ca -0.34 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.01 0.01 -0.20 1.61 -7.23 -0.53 -2.16 120.40 110.88 2crr s VAL 49 Ca 0.00 -0.08 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 2crr s VAL 49 Cb 0.00 -0.56 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 2crr s VAL 49 CO 0.00 -0.04 0.70 -0.36 -0.31 0.00 0.00 175.10 175.09 2crr s PHE 50 N -0.07 3.36 0.19 2.82 0.40 -1.26 -0.33 117.98 123.09 2crr s PHE 50 Ca -0.02 1.01 0.09 0.00 -0.60 0.00 0.00 56.93 57.40 2crr s PHE 50 Cb -0.03 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.57 2crr s PHE 50 CO 0.01 -0.24 -0.17 0.96 0.70 0.00 0.00 175.22 176.48 2crr s ILE 51 N 2.15 1.90 0.62 0.64 -4.36 -0.96 -2.57 121.20 118.63 2crr s ILE 51 Ca 0.31 -2.09 -0.10 0.00 -0.26 0.00 0.00 60.65 58.51 2crr s ILE 51 Cb -0.16 -1.98 0.15 0.00 1.25 0.00 0.00 42.46 41.72 2crr s ILE 51 CO 0.10 -0.41 0.64 0.00 0.24 0.00 0.00 174.94 175.50 2crr h ILE 53 N -1.91 1.33 0.21 0.00 2.10 -1.92 -2.68 117.51 114.63 2crr h ILE 53 Ca -0.23 -1.98 -0.01 0.00 1.08 0.00 0.00 64.86 63.72 2crr h ILE 53 Cb 0.67 2.21 -0.00 0.00 -1.09 0.00 0.00 36.82 38.61 2crr h ILE 53 CO 0.15 0.61 -0.16 -0.09 -1.08 0.00 0.00 178.15 177.58 2crr h ARG 54 N 0.28 -0.34 -0.47 2.19 1.12 -2.01 -2.55 114.38 112.59 2crr h ARG 54 Ca -0.06 0.02 0.09 0.00 -1.11 0.00 0.00 59.98 58.92 2crr h ARG 54 Cb 1.36 0.08 -0.09 0.00 -0.01 0.00 0.00 29.97 31.31 2crr h ARG 54 CO 0.14 -0.23 -0.12 0.00 -3.11 0.00 0.00 179.97 176.65 2crr h ALA 56 N 1.46 0.92 -0.99 0.00 0.00 -1.39 0.75 119.26 120.01 2crr h ALA 56 Ca 0.22 0.34 0.22 0.00 0.00 0.00 0.00 54.91 55.69 2crr h ALA 56 Cb 0.35 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2crr h ALA 56 CO -0.48 -0.48 0.63 0.78 0.00 0.00 0.00 179.25 179.69 2crr h GLY 57 N 0.02 1.39 1.70 0.00 0.00 -0.80 0.15 103.07 105.53 2crr h GLY 57 Ca 0.52 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.41 2crr h GLY 57 CO -0.90 -0.08 -0.72 -2.22 0.00 0.00 0.00 176.54 172.62 2crr h ILE 58 N 0.55 1.41 -0.62 2.60 5.03 0.45 -3.15 117.51 123.78 2crr h ILE 58 Ca 0.56 -2.20 -0.03 0.00 -0.12 0.00 0.00 64.86 63.07 2crr h ILE 58 Cb 1.17 2.16 -0.03 0.00 -3.03 0.00 0.00 36.82 37.09 2crr h ILE 58 CO -0.31 0.65 0.25 0.45 -0.68 0.00 0.00 178.15 178.51 2crr h HIS 59 N 0.20 0.91 -0.16 1.37 3.86 -0.18 -2.80 115.15 118.35 2crr h HIS 59 Ca -0.03 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2crr h HIS 59 Cb 1.28 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 2crr h HIS 59 CO 0.03 0.70 0.08 0.00 0.86 0.00 0.00 177.93 179.61 2crr h ARG 60 N 0.90 0.23 -0.41 2.45 3.08 -1.35 -3.00 114.38 116.28 2crr h ARG 60 Ca 0.21 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.30 2crr h ARG 60 Cb 0.17 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2crr h ARG 60 CO -0.02 0.26 0.02 -2.95 -1.07 0.00 0.00 179.97 176.21 2crr h ASN 61 N 0.14 -0.12 -0.87 7.04 7.08 -1.51 -2.52 115.58 124.82 2crr h ASN 61 Ca 0.06 0.09 0.13 0.00 -3.08 0.00 0.00 56.30 53.49 2crr h ASN 61 Cb 0.10 0.15 -0.13 0.00 -2.08 0.00 0.00 38.32 36.36 2crr h ASN 61 CO -0.01 -0.03 -0.37 0.18 -2.08 0.00 0.00 177.43 175.13 2crr n LEU 62 N -5.17 -0.63 0.00 6.14 4.77 -1.08 -4.87 117.00 116.16 2crr n LEU 62 Ca 0.03 1.52 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 2crr n LEU 62 Cb 0.21 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2crr n LEU 62 CO 0.20 -1.35 0.00 0.61 -1.33 0.00 0.00 177.39 175.52 2crr n GLY 63 N -1.38 4.67 0.20 -0.72 0.00 -0.95 -4.76 105.19 102.25 2crr n GLY 63 Ca 0.08 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 1.66 0.00 0.00 1.61 -1.51 -1.79 0.33 116.25 116.55 2crr h VAL 64 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2crr h VAL 64 Cb 0.00 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 2crr h VAL 64 CO 0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 177.57 175.62 2crr n HIS 65 N -2.39 0.45 -0.11 5.19 -0.00 -1.26 -4.38 115.22 112.71 2crr n HIS 65 Ca -0.02 0.13 -0.22 0.00 -0.00 0.00 0.00 57.72 57.61 2crr n HIS 65 Cb 0.07 -0.58 -0.07 0.00 -0.00 0.00 0.00 29.99 29.41 2crr n HIS 65 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2crr n ILE 66 N -2.04 1.33 -3.65 0.61 5.41 0.95 -5.03 119.36 116.95 2crr n ILE 66 Ca 0.03 -0.24 -0.03 0.00 1.00 0.00 0.00 62.75 63.51 2crr n ILE 66 Cb 0.43 -1.90 -0.05 0.00 -0.71 0.00 0.00 39.64 37.41 2crr n ILE 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2crr s SER 67 N -6.92 -1.00 0.01 4.38 0.01 0.01 -4.94 113.70 105.24 2crr s SER 67 Ca -0.32 1.49 -0.15 0.00 1.31 0.00 0.00 55.95 58.28 2crr s SER 67 Cb 0.11 2.07 -0.06 0.00 0.21 0.00 0.00 66.02 68.35 2crr s SER 67 CO 0.41 -0.22 0.42 -0.13 0.41 0.00 0.00 173.24 174.13 2crr s ARG 68 N 2.71 3.93 -0.08 12.44 0.52 -1.26 -4.42 118.95 132.80 2crr s ARG 68 Ca -0.06 0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 2crr s ARG 68 Cb -0.11 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2crr s ARG 68 CO -0.18 0.69 -0.21 0.08 0.02 0.00 0.00 175.30 175.70 2crr s VAL 69 N -1.09 2.41 -0.19 3.52 1.01 -1.26 -4.18 120.40 120.62 2crr s VAL 69 Ca 0.24 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 2crr s VAL 69 Cb -0.17 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.34 2crr s VAL 69 CO 0.14 0.56 0.59 -1.59 0.00 0.00 0.00 175.10 174.80 2crr s LYS 70 N -0.03 0.73 0.45 2.72 -2.85 -1.25 -5.05 119.74 114.47 2crr s LYS 70 Ca -0.06 0.70 -0.25 0.00 -1.00 0.00 0.00 55.97 55.36 2crr s LYS 70 Cb -0.15 0.35 -0.08 0.00 -2.06 0.00 0.00 37.83 35.90 2crr s LYS 70 CO 0.05 -0.12 1.43 -1.12 0.10 0.00 0.00 175.35 175.69 2crr s SER 71 N 0.05 5.87 0.29 0.03 0.01 -1.26 -3.82 113.70 114.87 2crr s SER 71 Ca -0.02 2.92 0.03 0.00 1.31 0.00 0.00 55.95 60.19 2crr s SER 71 Cb -0.04 -2.65 0.44 0.00 0.21 0.00 0.00 66.02 63.98 2crr s SER 71 CO 0.02 -1.18 1.75 0.58 0.41 0.00 0.00 173.24 174.82 2crr h VAL 72 N 2.30 1.25 0.00 3.43 2.07 -1.86 -3.25 116.25 120.21 2crr h VAL 72 Ca -0.51 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2crr h VAL 72 Cb 1.27 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2crr h VAL 72 CO 0.61 0.38 -0.06 -3.20 0.02 0.00 0.00 177.57 175.32 2crr n ASN 73 N -4.14 0.73 -0.37 0.57 5.15 -1.26 -4.68 115.26 111.25 2crr n ASN 73 Ca -0.00 0.10 0.35 0.00 -0.60 0.00 0.00 54.58 54.42 2crr n ASN 73 Cb 0.38 -0.25 0.53 0.00 -0.53 0.00 0.00 39.78 39.91 2crr n ASN 73 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2crr n LEU 74 N -3.17 0.00 -4.71 1.20 4.77 -1.26 -4.26 117.00 109.58 2crr n LEU 74 Ca -0.01 0.77 -0.23 0.00 -0.03 0.00 0.00 56.01 56.52 2crr n LEU 74 Cb 0.03 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2crr n LEU 74 CO 0.01 -0.77 -0.26 -1.81 -1.33 0.00 0.00 177.39 173.23 2crr s ASP 75 N -3.58 4.80 0.18 -1.43 1.11 -1.23 -4.97 116.67 111.54 2crr s ASP 75 Ca -0.03 -0.59 -0.11 0.00 0.18 0.00 0.00 52.55 52.00 2crr s ASP 75 Cb 0.17 -0.94 -0.07 0.00 1.07 0.00 0.00 42.92 43.16 2crr s ASP 75 CO 0.58 -0.08 0.52 -1.58 1.18 0.00 0.00 175.17 175.79 2crr s GLN 76 N -3.75 3.84 0.24 8.23 0.74 -1.26 -4.76 119.66 122.94 2crr s GLN 76 Ca 0.33 0.31 0.01 0.00 0.05 0.00 0.00 55.36 56.06 2crr s GLN 76 Cb -0.06 -2.79 -0.00 0.00 1.10 0.00 0.00 33.01 31.26 2crr s GLN 76 CO 0.22 0.40 0.04 0.91 -0.55 0.00 0.00 175.29 176.31 2crr n TRP 77 N 0.29 0.33 -3.77 1.67 7.02 -1.26 -5.02 117.44 116.70 2crr n TRP 77 Ca -0.02 -1.33 -0.13 0.00 -1.02 0.00 0.00 57.50 54.99 2crr n TRP 77 Cb 0.52 -0.09 -0.10 0.00 -2.42 0.00 0.00 31.31 29.22 2crr n TRP 77 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2crr s THR 78 N -2.15 0.02 0.24 -0.99 -4.23 -1.26 -5.05 115.64 102.23 2crr s THR 78 Ca 0.06 -0.20 -0.14 0.00 -1.18 0.00 0.00 61.69 60.22 2crr s THR 78 Cb 0.00 -0.50 0.31 0.00 1.34 0.00 0.00 72.50 73.66 2crr s THR 78 CO 0.04 -0.11 1.56 0.00 -0.54 0.00 0.00 174.62 175.57 2crr h ALA 79 N 4.97 0.35 -1.05 3.99 0.00 -2.02 0.91 119.26 126.41 2crr h ALA 79 Ca -0.28 0.31 0.28 0.00 0.00 0.00 0.00 54.91 55.22 2crr h ALA 79 Cb 1.18 0.85 -0.12 0.00 0.00 0.00 0.00 17.79 19.71 2crr h ALA 79 CO 0.35 -0.52 0.65 1.05 0.00 0.00 0.00 179.25 180.78 2crr h GLU 80 N -0.02 0.40 0.13 0.00 4.11 -2.01 0.17 114.58 117.37 2crr h GLU 80 Ca 0.38 -0.02 -0.29 0.00 0.07 0.00 0.00 59.36 59.49 2crr h GLU 80 Cb 0.63 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.82 2crr h GLU 80 CO -0.94 0.27 -1.23 1.96 0.07 0.00 0.00 179.01 179.14 2crr h GLN 81 N 0.42 0.60 0.37 1.06 4.20 0.35 -3.32 115.11 118.78 2crr h GLN 81 Ca 0.66 -0.82 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 2crr h GLN 81 Cb 1.54 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 2crr h GLN 81 CO -0.41 1.37 -0.39 0.82 -0.67 0.00 0.00 178.83 179.55 2crr h ILE 82 N 0.22 0.21 -0.95 2.54 1.08 0.11 -2.53 117.51 118.19 2crr h ILE 82 Ca -0.19 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.51 2crr h ILE 82 Cb 1.91 0.21 -0.18 0.00 -3.07 0.00 0.00 36.82 35.69 2crr h ILE 82 CO 0.23 0.00 -0.09 -0.61 -0.69 0.00 0.00 178.15 177.00 2crr h GLN 83 N -0.79 0.02 0.07 2.37 5.75 -1.28 0.74 115.11 121.98 2crr h GLN 83 Ca -0.03 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2crr h GLN 83 Cb 0.71 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.21 2crr h GLN 83 CO -0.08 0.01 -0.43 0.00 -2.65 0.00 0.00 178.83 175.68 2crr n MET 85 N -5.46 -0.31 0.13 0.00 2.81 0.24 -0.11 117.12 114.42 2crr n MET 85 Ca -0.07 1.28 -0.14 0.00 -1.81 0.00 0.00 57.70 56.97 2crr n MET 85 Cb 0.38 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 30.92 2crr n MET 85 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2crr h GLN 86 N 0.00 -0.25 -0.08 0.03 7.50 -1.37 0.58 115.11 121.51 2crr h GLN 86 Ca 0.19 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.38 2crr h GLN 86 Cb 0.40 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 27.94 2crr h GLN 86 CO -0.81 -0.16 -0.40 -0.44 -1.50 0.00 0.00 178.83 175.52 2crr h ASP 87 N -0.27 -1.27 0.00 1.46 5.19 0.81 -3.32 116.42 119.02 2crr h ASP 87 Ca -0.03 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2crr h ASP 87 Cb 0.21 0.49 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2crr h ASP 87 CO 0.04 -0.36 0.00 0.80 -3.12 0.00 0.00 179.24 176.60 2crr n MET 88 N -4.68 0.00 -1.09 3.56 1.56 0.84 -4.93 117.12 112.39 2crr n MET 88 Ca -0.05 0.31 0.14 0.00 -0.27 0.00 0.00 57.70 57.83 2crr n MET 88 Cb 0.28 -1.01 -0.05 0.00 2.15 0.00 0.00 33.22 34.59 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 1.00 -2.60 0.24 -5.12 0.00 0.20 -3.60 105.19 95.32 2crr n GLY 89 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.05 0.79 -0.19 1.61 4.21 -1.81 -2.35 115.58 116.80 2crr h ASN 90 Ca -0.08 -0.32 0.02 0.00 1.21 0.00 0.00 56.30 57.13 2crr h ASN 90 Cb 1.02 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.98 2crr h ASN 90 CO 0.04 0.92 -0.14 0.74 -1.29 0.00 0.00 177.43 177.70 2crr h THR 91 N 0.65 0.00 -0.16 2.81 2.02 -1.80 -1.65 112.91 114.77 2crr h THR 91 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2crr h THR 91 Cb 0.52 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2crr h THR 91 CO 0.03 0.00 0.11 0.11 0.37 0.00 0.00 175.52 176.13 2crr h LYS 92 N -0.03 0.22 -1.12 6.66 1.57 -1.63 -2.52 116.57 119.71 2crr h LYS 92 Ca 0.03 -0.01 0.41 0.00 -1.87 0.00 0.00 60.65 59.20 2crr h LYS 92 Cb 0.11 -0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.24 2crr h LYS 92 CO -0.19 0.15 0.69 0.00 -0.57 0.00 0.00 179.45 179.53 2crr n ALA 93 N -2.14 1.12 -0.03 3.86 0.00 -0.74 0.13 120.51 122.70 2crr n ALA 93 Ca -0.04 0.80 -0.14 0.00 0.00 0.00 0.00 53.44 54.06 2crr n ALA 93 Cb 0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 2crr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2crr h ARG 94 N 0.00 0.17 0.00 0.00 2.43 -0.88 0.41 114.38 116.51 2crr h ARG 94 Ca 0.77 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 2crr h ARG 94 Cb 2.35 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.93 2crr h ARG 94 CO -0.48 0.82 0.00 1.28 -1.51 0.00 0.00 179.97 180.07 2crr n LEU 95 N -4.58 0.00 -0.03 3.80 4.77 0.35 0.11 117.00 121.42 2crr n LEU 95 Ca -0.09 0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 56.20 2crr n LEU 95 Cb 0.43 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2crr n LEU 95 CO 0.38 -0.19 -0.33 -0.11 -1.33 0.00 0.00 177.39 175.81 2crr n LEU 96 N -1.35 1.31 0.06 2.23 -0.00 0.66 -4.30 117.00 115.61 2crr n LEU 96 Ca 0.06 0.21 -0.19 0.00 -0.00 0.00 0.00 56.01 56.09 2crr n LEU 96 Cb 0.12 -0.53 -0.09 0.00 -0.00 0.00 0.00 43.42 42.92 2crr n LEU 96 CO 0.11 -0.47 0.08 1.88 -0.00 0.00 0.00 177.39 178.99 2crr h TYR 97 N -0.49 0.93 -1.00 1.96 0.05 -0.26 0.34 116.97 118.51 2crr h TYR 97 Ca 0.00 -0.52 -0.64 0.00 0.05 0.00 0.00 58.73 57.62 2crr h TYR 97 Cb 0.49 -0.10 -0.29 0.00 1.01 0.00 0.00 36.73 37.83 2crr h TYR 97 CO -0.21 1.35 0.82 0.39 -1.05 0.00 0.00 178.16 179.46 2crr n GLU 98 N -3.81 2.59 -0.07 4.88 1.02 0.12 -4.07 120.64 121.29 2crr n GLU 98 Ca -0.10 -3.23 -0.05 0.00 -0.02 0.00 0.00 57.16 53.76 2crr n GLU 98 Cb 0.89 -2.26 -0.16 0.00 -0.02 0.00 0.00 31.44 29.89 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr n ALA 99 N -0.97 1.83 -0.42 0.62 0.00 -0.97 -4.28 120.51 116.33 2crr n ALA 99 Ca 0.62 -1.10 0.08 0.00 0.00 0.00 0.00 53.44 53.04 2crr n ALA 99 Cb 0.89 -0.31 0.33 0.00 0.00 0.00 0.00 19.45 20.36 2crr n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2crr n ASN 100 N -2.60 4.49 -4.79 0.00 3.02 -1.22 -4.95 115.26 109.21 2crr n ASN 100 Ca -0.25 -2.51 -0.36 0.00 -0.03 0.00 0.00 54.58 51.42 2crr n ASN 100 Cb 0.99 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.88 4.28 0.73 3.41 1.43 -1.26 -4.87 118.68 120.52 2crr s LEU 101 Ca 0.45 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 2crr s LEU 101 Cb 0.31 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.48 2crr s LEU 101 CO 0.19 -0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.60 2crr s PRO 102 N -2.21 2.46 0.38 1.29 0.04 -1.26 -4.93 135.00 130.78 2crr s PRO 102 Ca 0.52 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.88 2crr s PRO 102 Cb -0.17 -1.92 0.77 0.00 0.04 0.00 0.00 34.50 33.22 2crr s PRO 102 CO 0.22 -1.50 2.01 1.49 0.04 0.00 0.00 177.00 179.27 2crr h GLU 103 N -0.67 0.67 -0.88 4.56 4.57 -2.01 -1.47 114.58 119.35 2crr h GLU 103 Ca -0.45 -0.04 -0.51 0.00 -1.18 0.00 0.00 59.36 57.18 2crr h GLU 103 Cb 1.24 -0.15 -0.28 0.00 -0.16 0.00 0.00 28.75 29.40 2crr h GLU 103 CO 0.52 0.45 0.51 0.27 -1.18 0.00 0.00 179.01 179.58 2crr n ASN 104 N -4.46 4.81 -4.52 1.04 0.23 -1.26 -5.02 115.26 106.07 2crr n ASN 104 Ca 0.07 -3.71 -0.31 0.00 -0.53 0.00 0.00 54.58 50.10 2crr n ASN 104 Cb 0.14 -0.82 0.18 0.00 -2.08 0.00 0.00 39.78 37.19 2crr n ASN 104 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2crr n PHE 105 N -1.05 -0.40 -4.09 -2.53 7.35 -0.56 -5.04 117.46 111.14 2crr n PHE 105 Ca 0.56 0.22 -0.14 0.00 -0.76 0.00 0.00 57.45 57.33 2crr n PHE 105 Cb 1.22 -1.84 -0.12 0.00 0.35 0.00 0.00 39.48 39.09 2crr n PHE 105 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2crr s ARG 106 N -4.21 0.49 -0.28 -4.13 1.04 -1.26 -5.05 118.95 105.56 2crr s ARG 106 Ca 0.64 -0.59 -0.09 0.00 -1.04 0.00 0.00 55.73 54.65 2crr s ARG 106 Cb -0.22 -0.32 -0.02 0.00 -2.04 0.00 0.00 34.95 32.35 2crr s ARG 106 CO 0.63 0.07 0.11 0.50 -0.04 0.00 0.00 175.30 176.57 2crr s ARG 107 N -1.15 3.55 0.50 3.89 3.52 -1.26 -5.09 118.95 122.91 2crr s ARG 107 Ca -0.07 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 54.76 2crr s ARG 107 Cb -0.08 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.79 2crr s ARG 107 CO 0.00 -0.28 1.15 -1.25 -0.81 0.00 0.00 175.30 174.11 2crr s PRO 108 N 1.63 3.57 -0.01 5.12 0.04 -1.26 -4.97 135.00 139.11 2crr s PRO 108 Ca 0.06 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2crr s PRO 108 Cb -0.16 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2crr s PRO 108 CO 0.05 -0.69 -0.01 1.04 0.04 0.00 0.00 177.00 177.44 2crr n GLN 109 N -0.87 1.11 -2.57 4.56 1.13 -1.26 -4.73 117.38 114.76 2crr n GLN 109 Ca 0.09 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.75 2crr n GLN 109 Cb 0.49 -1.02 -0.04 0.00 0.11 0.00 0.00 30.24 29.78 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2crr s THR 110 N -2.02 4.12 0.13 5.09 -4.23 -1.26 -4.82 115.64 112.66 2crr s THR 110 Ca -0.01 1.74 -0.32 0.00 -1.18 0.00 0.00 61.69 61.91 2crr s THR 110 Cb 0.00 -4.11 -0.10 0.00 1.34 0.00 0.00 72.50 69.64 2crr s THR 110 CO 0.03 0.25 1.55 0.44 -0.54 0.00 0.00 174.62 176.35 2crr h ASP 111 N 5.61 -1.77 -1.11 3.99 5.19 -1.97 0.33 116.42 126.69 2crr h ASP 111 Ca -0.43 0.23 0.38 0.00 -0.62 0.00 0.00 57.03 56.58 2crr h ASP 111 Cb 1.21 0.72 -0.10 0.00 0.18 0.00 0.00 39.33 41.34 2crr h ASP 111 CO 0.74 -0.42 0.72 0.00 -3.12 0.00 0.00 179.24 177.16 2crr n GLN 112 N -5.40 -0.03 -0.05 3.56 10.64 -1.26 -0.89 117.38 123.96 2crr n GLN 112 Ca -0.04 0.96 -0.04 0.00 -1.83 0.00 0.00 57.00 56.05 2crr n GLN 112 Cb 0.35 -1.91 -0.01 0.00 -0.86 0.00 0.00 30.24 27.81 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2crr n ALA 113 N -2.56 0.37 -0.33 2.61 0.00 0.47 -4.34 120.51 116.73 2crr n ALA 113 Ca 0.31 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2crr n ALA 113 Cb 1.24 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.66 2crr n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2crr n VAL 114 N -3.79 -0.52 -0.34 0.00 0.31 0.88 0.65 118.33 115.53 2crr n VAL 114 Ca -0.06 1.93 0.06 0.00 -0.01 0.00 0.00 64.34 66.26 2crr n VAL 114 Cb 0.22 -2.43 0.14 0.00 -0.91 0.00 0.00 33.84 30.85 2crr n VAL 114 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2crr n GLU 115 N -5.05 -0.08 0.30 5.55 2.13 -0.06 -1.03 120.64 122.39 2crr n GLU 115 Ca 0.03 1.46 -0.12 0.00 0.66 0.00 0.00 57.16 59.20 2crr n GLU 115 Cb 0.24 -2.19 -0.06 0.00 0.27 0.00 0.00 31.44 29.70 2crr n GLU 115 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2crr h PHE 116 N 0.00 -0.74 -0.87 4.31 0.04 0.02 -2.25 116.94 117.46 2crr h PHE 116 Ca 0.45 -0.02 0.26 0.00 2.80 0.00 0.00 57.97 61.46 2crr h PHE 116 Cb 0.70 0.25 -0.16 0.00 2.20 0.00 0.00 35.95 38.93 2crr h PHE 116 CO -0.72 -0.46 0.08 0.34 -0.60 0.00 0.00 178.31 176.95 2crr n PHE 117 N -4.87 0.62 -0.03 -0.55 7.35 -0.38 0.25 117.46 119.85 2crr n PHE 117 Ca -0.10 1.04 -0.07 0.00 -0.76 0.00 0.00 57.45 57.56 2crr n PHE 117 Cb 0.32 -1.19 0.11 0.00 0.35 0.00 0.00 39.48 39.06 2crr n PHE 117 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2crr h ILE 118 N 0.00 1.28 -0.22 -2.13 2.04 -1.06 -1.54 117.51 115.88 2crr h ILE 118 Ca 0.55 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 2crr h ILE 118 Cb 1.20 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2crr h ILE 118 CO -0.79 0.47 -0.18 0.03 0.00 0.00 0.00 178.15 177.68 2crr h ARG 119 N 0.54 0.50 0.00 2.37 3.08 0.40 0.89 114.38 122.16 2crr h ARG 119 Ca 0.06 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2crr h ARG 119 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2crr h ARG 119 CO 0.07 0.82 0.00 -0.25 -1.07 0.00 0.00 179.97 179.54 2crr n ASP 120 N -4.45 0.49 -0.02 7.04 8.00 0.11 0.24 116.55 127.96 2crr n ASP 120 Ca -0.05 0.60 0.05 0.00 0.71 0.00 0.00 54.79 56.09 2crr n ASP 120 Cb 0.39 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.02 0.73 -0.01 -1.24 4.81 -0.59 -0.75 118.16 119.10 2crr n LYS 121 Ca 0.03 -0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 2crr n LYS 121 Cb 0.27 -1.37 -0.01 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.16 0.00 0.02 5.64 4.02 0.31 -4.22 117.16 120.77 2crr n TYR 122 Ca -0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.81 2crr n TYR 122 Cb 0.54 -0.10 -0.00 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.07 -0.05 0.00 -0.72 4.81 0.31 -3.31 114.58 115.55 2crr h GLU 123 Ca -0.07 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 2crr h GLU 123 Cb 1.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2crr h GLU 123 CO -0.03 -0.03 -0.41 0.87 -0.73 0.00 0.00 179.01 178.67 2crr h LYS 124 N -0.07 0.00 -4.92 1.92 1.57 -0.69 -3.48 116.57 110.90 2crr h LYS 124 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2crr h LYS 124 Cb 0.04 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.47 2crr h LYS 124 CO 0.01 0.41 -0.58 1.63 -0.57 0.00 0.00 179.45 180.36 2crr n LYS 125 N -3.42 -6.00 0.20 3.15 4.76 -1.21 -4.96 118.16 110.68 2crr n LYS 125 Ca 0.00 0.68 -0.08 0.00 -2.87 0.00 0.00 58.31 56.04 2crr n LYS 125 Cb 0.58 -5.23 -0.04 0.00 -1.84 0.00 0.00 35.03 28.50 2crr n LYS 125 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2crr h LYS 126 N -1.92 -0.53 0.00 1.97 1.57 -1.18 -3.14 116.57 113.36 2crr h LYS 126 Ca -0.47 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2crr h LYS 126 Cb 1.29 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2crr h LYS 126 CO 0.43 -0.35 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 2crr n TYR 127 N -4.24 0.00 -2.33 -1.35 4.02 -1.25 -4.79 117.16 107.21 2crr n TYR 127 Ca -0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.40 2crr n TYR 127 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 2crr n TYR 127 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2crr s TYR 128 N -2.00 2.75 -0.63 -0.72 5.04 -1.19 -3.39 117.35 117.21 2crr s TYR 128 Ca 0.21 0.88 -0.25 0.00 -2.44 0.00 0.00 57.07 55.47 2crr s TYR 128 Cb 0.10 -3.58 0.05 0.00 0.35 0.00 0.00 41.96 38.87 2crr s TYR 128 CO 0.16 -2.10 1.06 0.34 -1.34 0.00 0.00 175.55 173.67 2crr s ASP 129 N 2.12 6.26 0.08 4.32 -1.08 0.12 -4.83 116.67 123.65 2crr s ASP 129 Ca 0.59 -0.53 0.23 0.00 -0.52 0.00 0.00 52.55 52.32 2crr s ASP 129 Cb -0.25 -2.47 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 2crr s ASP 129 CO 0.20 -1.48 1.00 2.29 0.52 0.00 0.00 175.17 177.70 2crr n LYS 130 N 8.12 0.38 0.11 4.34 -0.00 -1.26 -4.05 118.16 125.80 2crr n LYS 130 Ca 0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 58.31 58.29 2crr n LYS 130 Cb 0.47 -1.64 0.08 0.00 -0.00 0.00 0.00 35.03 33.95 2crr n LYS 130 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2crr h ASN 131 N 0.00 0.08 0.80 -5.58 -1.24 -1.99 -3.31 115.58 104.35 2crr h ASN 131 Ca 0.00 -0.06 -0.04 0.00 0.71 0.00 0.00 56.30 56.91 2crr h ASN 131 Cb 0.81 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.84 2crr h ASN 131 CO 0.00 0.78 -0.38 0.00 -1.29 0.00 0.00 177.43 176.54 2crr h ALA 132 N 1.21 -1.07 -1.44 1.57 0.00 -1.97 -3.30 119.26 114.26 2crr h ALA 132 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2crr h ALA 132 Cb 1.29 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2crr h ALA 132 CO 0.10 -1.09 0.00 -0.89 0.00 0.00 0.00 179.25 177.37 2crr n ILE 133 N -5.55 0.00 -1.79 0.00 -0.00 -1.25 -4.63 119.36 106.15 2crr n ILE 133 Ca -0.15 1.12 -0.00 0.00 -0.00 0.00 0.00 62.75 63.72 2crr n ILE 133 Cb 0.43 -1.58 -0.00 0.00 -0.00 0.00 0.00 39.64 38.49 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2crr n ALA 134 N -1.88 -0.52 -0.90 -1.39 0.00 -1.25 -4.85 120.51 109.73 2crr n ALA 134 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2crr n ALA 134 Cb 0.00 -0.40 0.22 0.00 0.00 0.00 0.00 19.45 19.28 2crr n ALA 134 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2crr s ILE 135 N -1.54 1.84 0.40 0.00 -5.25 -1.26 -5.07 121.20 110.32 2crr s ILE 135 Ca 0.00 0.00 0.06 0.00 -0.99 0.00 0.00 60.65 59.72 2crr s ILE 135 Cb 0.00 -2.33 -0.07 0.00 2.95 0.00 0.00 42.46 43.00 2crr s ILE 135 CO 0.00 0.00 0.02 -0.94 -1.79 0.00 0.00 174.94 172.23 2crr s SER 136 N -3.26 3.68 -0.80 4.36 1.04 -1.26 -5.01 113.70 112.45 2crr s SER 136 Ca 0.68 -1.38 -0.22 0.00 0.48 0.00 0.00 55.95 55.50 2crr s SER 136 Cb -0.18 -0.31 -0.19 0.00 0.10 0.00 0.00 66.02 65.44 2crr s SER 136 CO 0.59 -0.49 2.10 0.61 0.98 0.00 0.00 173.24 177.04 2crr n GLY 137 N -0.94 -0.39 3.72 7.32 0.00 -1.26 -4.85 105.19 108.78 2crr n GLY 137 Ca -0.05 0.80 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 2crr n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 138 N 6.99 1.26 0.05 1.61 0.04 -1.26 -4.95 135.00 138.75 2crr s PRO 138 Ca 1.09 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2crr s PRO 138 Cb -0.96 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.69 2crr s PRO 138 CO 0.40 -2.24 1.63 -1.54 0.04 0.00 0.00 177.00 175.30 2crr s SER 139 N -3.42 6.63 -0.09 6.66 1.04 -1.26 -4.99 113.70 118.27 2crr s SER 139 Ca 0.63 2.42 -0.05 0.00 0.48 0.00 0.00 55.95 59.43 2crr s SER 139 Cb -0.18 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.42 2crr s SER 139 CO 0.57 -0.88 0.21 -0.55 0.98 0.00 0.00 173.24 173.58 2crr s SER 140 N 2.48 -0.22 0.00 7.02 0.15 -1.26 -5.30 113.70 116.58 2crr s SER 140 Ca 0.73 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2crr s SER 140 Cb -0.38 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2crr s SER 140 CO 0.32 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.23