#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 h SER 2 N 0.00 -0.01 -3.48 1.61 0.87 -2.09 -3.45 113.55 106.99 2cr4 h SER 2 Ca 0.00 -0.78 -0.53 0.00 -1.23 0.00 0.00 61.79 59.25 2cr4 h SER 2 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2cr4 h SER 2 CO 0.00 0.79 -0.01 -0.55 -0.53 0.00 0.00 176.83 176.54 2cr4 s SER 3 N -6.00 6.84 0.00 6.23 0.15 -1.26 -5.08 113.70 114.59 2cr4 s SER 3 Ca -0.17 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2cr4 s SER 3 Cb -0.01 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2cr4 s SER 3 CO 0.65 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.70 2cr4 n GLY 4 N 0.39 5.22 4.03 9.45 0.00 -1.26 -4.89 105.19 118.13 2cr4 n GLY 4 Ca -0.02 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2cr4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr4 n SER 5 N 0.00 -3.10 -4.05 1.61 7.64 -1.26 -4.95 113.62 109.51 2cr4 n SER 5 Ca 0.00 -0.92 -0.31 0.00 1.01 0.00 0.00 58.87 58.65 2cr4 n SER 5 Cb 0.00 -3.29 -0.16 0.00 -1.01 0.00 0.00 64.21 59.75 2cr4 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr4 s SER 6 N -3.58 3.31 0.00 6.43 0.01 -1.26 -5.05 113.70 113.56 2cr4 s SER 6 Ca 0.52 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2cr4 s SER 6 Cb -0.27 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2cr4 s SER 6 CO 0.88 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.05 2cr4 n GLY 7 N 4.64 4.37 3.74 3.44 0.00 -1.26 -5.13 105.19 114.99 2cr4 n GLY 7 Ca -0.17 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 2cr4 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 8 N -4.57 3.20 -0.33 1.61 -1.05 -1.26 -5.08 118.70 111.22 2cr4 s GLU 8 Ca 0.00 -0.32 0.01 0.00 -0.15 0.00 0.00 54.97 54.51 2cr4 s GLU 8 Cb 0.00 -2.95 0.10 0.00 -0.44 0.00 0.00 34.13 30.84 2cr4 s GLU 8 CO 0.00 0.69 0.10 0.16 0.95 0.00 0.00 175.26 177.16 2cr4 s ASP 9 N -0.83 4.21 -0.49 0.83 -4.77 -1.26 -5.05 116.67 109.31 2cr4 s ASP 9 Ca 0.13 -1.85 0.03 0.00 -3.30 0.00 0.00 52.55 47.56 2cr4 s ASP 9 Cb -0.12 -1.08 0.14 0.00 -1.09 0.00 0.00 42.92 40.77 2cr4 s ASP 9 CO 0.03 -0.40 0.29 -0.31 0.70 0.00 0.00 175.17 175.48 2cr4 s TYR 10 N 1.33 2.30 0.02 2.11 2.02 -1.26 -5.10 117.35 118.77 2cr4 s TYR 10 Ca 0.11 -2.66 0.06 0.00 -0.37 0.00 0.00 57.07 54.21 2cr4 s TYR 10 Cb -0.18 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 2cr4 s TYR 10 CO -0.19 -0.74 -0.18 -1.83 -1.57 0.00 0.00 175.55 171.04 2cr4 s GLU 11 N -0.05 2.16 -1.52 -0.62 1.03 -1.26 -4.62 118.70 113.83 2cr4 s GLU 11 Ca 0.20 -0.92 -0.03 0.00 0.03 0.00 0.00 54.97 54.25 2cr4 s GLU 11 Cb -0.18 -2.21 0.01 0.00 -0.80 0.00 0.00 34.13 30.95 2cr4 s GLU 11 CO -0.04 0.56 0.30 1.63 -1.33 0.00 0.00 175.26 176.37 2cr4 n LYS 12 N 1.78 -3.24 -3.57 -4.83 5.02 -1.26 -4.96 118.16 107.10 2cr4 n LYS 12 Ca -0.16 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.62 2cr4 n LYS 12 Cb 0.52 -5.58 -0.05 0.00 -0.02 0.00 0.00 35.03 29.90 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cr4 s VAL 13 N -3.01 5.09 -0.02 -0.18 -7.23 -1.26 -5.03 120.40 108.76 2cr4 s VAL 13 Ca 0.17 0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 60.53 2cr4 s VAL 13 Cb -0.08 -3.65 -0.18 0.00 0.56 0.00 0.00 36.38 33.03 2cr4 s VAL 13 CO 0.21 0.27 1.17 1.55 -0.31 0.00 0.00 175.10 177.99 2cr4 h PRO 14 N 3.66 -0.14 -3.51 4.82 0.13 -1.99 -3.41 132.00 131.56 2cr4 h PRO 14 Ca -0.49 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 2cr4 h PRO 14 Cb 1.19 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2cr4 h PRO 14 CO 0.67 0.29 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.50 2cr4 s LEU 15 N -9.24 3.19 0.30 1.56 2.01 -1.26 -4.89 118.68 110.34 2cr4 s LEU 15 Ca -0.15 -2.33 -0.29 0.00 0.01 0.00 0.00 54.13 51.37 2cr4 s LEU 15 Cb 0.01 -1.19 -0.10 0.00 0.01 0.00 0.00 46.19 44.93 2cr4 s LEU 15 CO 0.60 -0.32 1.23 -2.16 1.01 0.00 0.00 176.35 176.71 2cr4 s PRO 16 N 0.70 4.46 0.58 1.29 0.04 -1.26 -4.87 135.00 135.93 2cr4 s PRO 16 Ca 0.14 2.06 0.20 0.00 0.04 0.00 0.00 61.00 63.43 2cr4 s PRO 16 Cb -0.22 -3.12 1.07 0.00 0.04 0.00 0.00 34.50 32.27 2cr4 s PRO 16 CO -0.08 -0.05 1.57 -2.95 0.04 0.00 0.00 177.00 175.53 2cr4 h ASN 17 N 3.72 0.00 -0.04 6.66 -1.07 -1.98 -1.64 115.58 121.24 2cr4 h ASN 17 Ca -0.48 0.00 0.04 0.00 0.07 0.00 0.00 56.30 55.93 2cr4 h ASN 17 Cb 1.22 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.42 2cr4 h ASN 17 CO 0.67 0.00 -0.29 0.77 0.07 0.00 0.00 177.43 178.65 2cr4 h SER 18 N 0.00 -0.86 -0.17 6.14 4.64 -1.89 -0.37 113.55 121.04 2cr4 h SER 18 Ca 0.00 0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2cr4 h SER 18 Cb 0.93 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 2cr4 h SER 18 CO 0.00 -0.35 0.13 -0.37 -0.87 0.00 0.00 176.83 175.38 2cr4 h VAL 19 N -0.41 0.80 -2.60 0.95 -1.51 -1.25 -3.38 116.25 108.86 2cr4 h VAL 19 Ca 0.07 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.98 2cr4 h VAL 19 Cb 0.51 0.90 -0.10 0.00 -2.13 0.00 0.00 31.29 30.48 2cr4 h VAL 19 CO -0.27 0.00 0.90 -0.36 -1.23 0.00 0.00 177.57 176.61 2cr4 s PHE 20 N -4.94 2.45 -0.03 5.19 0.40 -0.15 0.10 117.98 120.99 2cr4 s PHE 20 Ca -0.05 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 2cr4 s PHE 20 Cb 0.17 -4.50 -0.04 0.00 0.51 0.00 0.00 43.02 39.17 2cr4 s PHE 20 CO 0.66 -1.87 0.02 0.54 0.70 0.00 0.00 175.22 175.27 2cr4 s VAL 21 N 5.14 4.34 -0.55 -0.44 0.11 -0.77 -4.94 120.40 123.29 2cr4 s VAL 21 Ca 0.33 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 2cr4 s VAL 21 Cb -0.10 -2.92 0.20 0.00 -1.53 0.00 0.00 36.38 32.03 2cr4 s VAL 21 CO 0.16 0.44 0.97 -3.20 -3.33 0.00 0.00 175.10 170.14 2cr4 n ASN 22 N 1.57 2.58 -4.56 3.54 4.05 -1.26 -3.76 115.26 117.41 2cr4 n ASN 22 Ca -0.15 -2.30 -0.38 0.00 0.45 0.00 0.00 54.58 52.19 2cr4 n ASN 22 Cb 0.53 -0.56 -0.11 0.00 1.23 0.00 0.00 39.78 40.87 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2cr4 s THR 23 N -1.23 5.18 -0.38 -0.44 -1.32 -1.26 -4.94 115.64 111.25 2cr4 s THR 23 Ca 0.14 0.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.72 2cr4 s THR 23 Cb 0.11 -3.51 0.62 0.00 -1.51 0.00 0.00 72.50 68.21 2cr4 s THR 23 CO 0.04 0.20 1.77 0.35 -2.21 0.00 0.00 174.62 174.76 2cr4 n THR 24 N 5.05 2.84 -3.90 5.08 -2.24 -1.26 -3.45 114.28 116.40 2cr4 n THR 24 Ca -0.14 -1.59 -0.30 0.00 -2.27 0.00 0.00 64.05 59.75 2cr4 n THR 24 Cb 0.51 -0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.11 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -2.83 1.29 0.27 -0.78 0.41 -1.26 -4.77 118.70 111.03 2cr4 s GLU 25 Ca 0.50 -1.29 -0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2cr4 s GLU 25 Cb 0.41 -2.60 0.63 0.00 -1.78 0.00 0.00 34.13 30.79 2cr4 s GLU 25 CO 0.11 -0.83 1.67 0.66 -0.49 0.00 0.00 175.26 176.38 2cr4 h SER 26 N 7.89 0.05 -0.56 -0.19 4.64 -1.93 0.86 113.55 124.32 2cr4 h SER 26 Ca -0.12 0.17 0.11 0.00 -0.47 0.00 0.00 61.79 61.48 2cr4 h SER 26 Cb 1.04 0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 2cr4 h SER 26 CO 0.46 -0.09 0.03 0.00 -0.87 0.00 0.00 176.83 176.36 2cr4 h GLU 28 N 0.15 -0.04 -0.83 0.00 4.57 -1.26 -2.20 114.58 114.97 2cr4 h GLU 28 Ca 0.29 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.67 2cr4 h GLU 28 Cb 0.44 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.92 2cr4 h GLU 28 CO -0.45 -0.03 0.27 0.28 -1.18 0.00 0.00 179.01 177.91 2cr4 h VAL 29 N -0.04 0.46 -0.98 0.32 2.07 -1.02 0.26 116.25 117.33 2cr4 h VAL 29 Ca 0.08 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2cr4 h VAL 29 Cb 0.17 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 2cr4 h VAL 29 CO -0.18 0.06 0.64 -0.08 0.02 0.00 0.00 177.57 178.02 2cr4 h GLU 30 N 0.32 1.20 -0.17 1.57 4.81 -0.98 -1.67 114.58 119.65 2cr4 h GLU 30 Ca 0.50 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.59 2cr4 h GLU 30 Cb 0.92 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2cr4 h GLU 30 CO -0.54 0.79 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.30 2cr4 h ARG 31 N 1.23 0.40 0.22 1.92 2.43 -0.34 -3.22 114.38 117.02 2cr4 h ARG 31 Ca 0.39 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2cr4 h ARG 31 Cb 0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2cr4 h ARG 31 CO -0.13 0.75 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.64 2cr4 h LEU 32 N 0.06 -1.08 -0.98 3.80 3.38 -0.63 0.14 115.31 120.00 2cr4 h LEU 32 Ca 0.03 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.23 2cr4 h LEU 32 Cb 0.66 0.39 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2cr4 h LEU 32 CO 0.04 -0.48 -0.49 -0.26 0.09 0.00 0.00 178.44 177.33 2cr4 h PHE 33 N -0.67 -1.50 0.00 1.13 -1.00 -1.38 1.14 116.94 114.65 2cr4 h PHE 33 Ca 0.01 0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 2cr4 h PHE 33 Cb 0.66 0.79 -0.01 0.00 3.61 0.00 0.00 35.95 41.01 2cr4 h PHE 33 CO -0.29 -0.39 -0.29 0.87 -1.61 0.00 0.00 178.31 176.60 2cr4 h LYS 34 N -0.01 0.00 0.33 1.51 1.57 -1.50 -3.01 116.57 115.46 2cr4 h LYS 34 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2cr4 h LYS 34 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2cr4 h LYS 34 CO -0.95 0.29 -0.16 0.00 -0.57 0.00 0.00 179.45 178.06 2cr4 h ALA 35 N 1.71 -0.73 -0.24 3.86 0.00 0.39 -3.07 119.26 121.19 2cr4 h ALA 35 Ca -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2cr4 h ALA 35 Cb 0.53 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2cr4 h ALA 35 CO 0.04 -0.70 0.65 0.00 0.00 0.00 0.00 179.25 179.25 2cr4 h THR 36 N -0.64 0.08 -3.27 0.00 1.03 -0.30 -3.39 112.91 106.41 2cr4 h THR 36 Ca -0.04 0.00 -0.54 0.00 -0.01 0.00 0.00 66.41 65.81 2cr4 h THR 36 Cb 0.34 0.40 -0.02 0.00 -1.07 0.00 0.00 68.15 67.80 2cr4 h THR 36 CO 0.07 0.00 0.51 -0.55 -0.01 0.00 0.00 175.52 175.54 2cr4 s SER 37 N -4.10 7.22 0.00 0.00 0.15 -1.14 -4.91 113.70 110.92 2cr4 s SER 37 Ca -0.03 1.76 0.15 0.00 0.70 0.00 0.00 55.95 58.54 2cr4 s SER 37 Cb 0.09 -2.57 0.77 0.00 -1.71 0.00 0.00 66.02 62.60 2cr4 s SER 37 CO 0.29 -0.40 1.41 -0.81 1.20 0.00 0.00 173.24 174.93 2cr4 n PRO 38 N 4.30 0.24 -0.30 5.44 -0.04 -1.26 -2.18 135.00 141.20 2cr4 n PRO 38 Ca 0.08 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2cr4 n PRO 38 Cb 0.49 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 2cr4 n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cr4 n ARG 39 N -1.26 1.13 -3.39 0.54 1.74 -1.26 -4.98 116.66 109.18 2cr4 n ARG 39 Ca 0.08 -2.51 -0.23 0.00 -0.77 0.00 0.00 57.85 54.41 2cr4 n ARG 39 Cb 0.11 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cr4 n GLY 40 N -1.11 -0.48 3.36 -0.13 0.00 -0.92 -4.91 105.19 101.01 2cr4 n GLY 40 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -6.03 0.54 0.69 1.61 -1.05 -1.25 -4.90 118.70 108.32 2cr4 s GLU 41 Ca 0.40 1.18 -0.14 0.00 -0.15 0.00 0.00 54.97 56.26 2cr4 s GLU 41 Cb -0.22 0.62 0.02 0.00 -0.44 0.00 0.00 34.13 34.11 2cr4 s GLU 41 CO 0.49 -0.41 1.10 -1.25 0.95 0.00 0.00 175.26 176.15 2cr4 s PRO 42 N 2.84 2.63 0.07 -4.83 0.04 -1.26 -4.89 135.00 129.60 2cr4 s PRO 42 Ca 0.07 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 2cr4 s PRO 42 Cb -0.13 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2cr4 s PRO 42 CO -0.19 -1.38 0.52 -0.65 0.04 0.00 0.00 177.00 175.34 2cr4 s GLN 43 N -4.35 4.06 -0.01 4.56 1.11 -1.26 -5.00 119.66 118.78 2cr4 s GLN 43 Ca 0.65 0.58 -0.37 0.00 0.01 0.00 0.00 55.36 56.24 2cr4 s GLN 43 Cb -0.19 -3.16 -0.15 0.00 -1.01 0.00 0.00 33.01 28.49 2cr4 s GLN 43 CO 0.46 0.62 1.56 -3.47 0.01 0.00 0.00 175.29 174.46 2cr4 n ASP 44 N 1.52 2.37 0.00 5.90 2.03 -1.26 -1.27 116.55 125.84 2cr4 n ASP 44 Ca -0.10 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2cr4 n ASP 44 Cb 0.51 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr4 n GLY 45 N 3.35 1.17 3.48 0.27 0.00 -1.20 -4.68 105.19 107.59 2cr4 n GLY 45 Ca 0.20 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.71 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 2.20 -4.49 0.99 7.94 -0.40 -3.64 117.00 119.60 2cr4 n LEU 46 Ca 0.00 0.51 -0.24 0.00 -1.11 0.00 0.00 56.01 55.17 2cr4 n LEU 46 Cb 0.00 -1.25 -0.10 0.00 0.53 0.00 0.00 43.42 42.60 2cr4 n LEU 46 CO 0.00 -0.66 -0.38 -0.72 -1.11 0.00 0.00 177.39 174.52 2cr4 s TYR 47 N 6.74 2.22 0.20 1.96 1.13 -0.78 0.11 117.35 128.93 2cr4 s TYR 47 Ca 1.08 -0.57 -0.08 0.00 -1.41 0.00 0.00 57.07 56.08 2cr4 s TYR 47 Cb -0.88 -1.26 0.03 0.00 -1.10 0.00 0.00 41.96 38.75 2cr4 s TYR 47 CO 0.51 0.47 0.44 0.00 -2.51 0.00 0.00 175.55 174.46 2cr4 s ILE 49 N -2.49 -0.01 0.52 0.00 1.01 0.11 -2.18 121.20 118.17 2cr4 s ILE 49 Ca 0.09 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2cr4 s ILE 49 Cb -0.03 -0.81 0.04 0.00 0.01 0.00 0.00 42.46 41.67 2cr4 s ILE 49 CO 0.06 -0.47 0.50 0.00 0.00 0.00 0.00 174.94 175.03 2cr4 s ARG 50 N 2.09 2.34 0.35 2.79 1.70 -1.18 -1.85 118.95 125.19 2cr4 s ARG 50 Ca 0.05 -1.80 0.02 0.00 -0.47 0.00 0.00 55.73 53.53 2cr4 s ARG 50 Cb -0.16 -2.32 -0.02 0.00 -0.57 0.00 0.00 34.95 31.88 2cr4 s ARG 50 CO -0.21 -0.58 0.53 -0.80 -1.08 0.00 0.00 175.30 173.16 2cr4 s ASN 51 N -4.35 6.15 0.27 -2.89 0.01 -1.22 -1.19 114.94 111.71 2cr4 s ASN 51 Ca 0.45 0.25 0.10 0.00 -0.71 0.00 0.00 52.86 52.96 2cr4 s ASN 51 Cb -0.03 -1.77 -0.05 0.00 0.41 0.00 0.00 41.25 39.80 2cr4 s ASN 51 CO 0.28 -0.37 -0.17 -0.55 -1.51 0.00 0.00 177.10 174.78 2cr4 s SER 52 N -4.09 3.29 0.31 -1.22 0.15 -1.03 -4.32 113.70 106.80 2cr4 s SER 52 Ca 0.41 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 56.05 2cr4 s SER 52 Cb -0.10 -0.25 0.80 0.00 -1.71 0.00 0.00 66.02 64.76 2cr4 s SER 52 CO 0.34 -0.06 1.54 -1.54 1.20 0.00 0.00 173.24 174.73 2cr4 n SER 53 N -0.57 -0.08 -4.32 5.45 3.41 -1.26 -4.52 113.62 111.73 2cr4 n SER 53 Ca -0.06 1.67 -0.34 0.00 -0.26 0.00 0.00 58.87 59.88 2cr4 n SER 53 Cb 0.61 -0.63 0.09 0.00 -0.26 0.00 0.00 64.21 64.02 2cr4 n SER 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2cr4 n THR 54 N -5.45 0.28 -2.72 6.66 -1.04 -1.26 -4.88 114.28 105.87 2cr4 n THR 54 Ca 0.24 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 2cr4 n THR 54 Cb 0.80 -0.48 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 2cr4 n THR 54 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2cr4 s LYS 55 N -3.06 4.24 -1.12 -2.82 2.36 -1.26 -3.64 119.74 114.44 2cr4 s LYS 55 Ca 0.54 1.26 -0.06 0.00 -2.55 0.00 0.00 55.97 55.16 2cr4 s LYS 55 Cb -0.23 -3.64 0.01 0.00 -1.05 0.00 0.00 37.83 32.91 2cr4 s LYS 55 CO 0.69 -0.60 0.97 0.45 1.55 0.00 0.00 175.35 178.42 2cr4 n SER 56 N 6.22 -4.93 -4.62 1.43 2.88 -1.26 -5.01 113.62 108.32 2cr4 n SER 56 Ca 0.10 -0.47 -0.25 0.00 -1.33 0.00 0.00 58.87 56.92 2cr4 n SER 56 Cb 0.46 -4.36 -0.08 0.00 -0.75 0.00 0.00 64.21 59.48 2cr4 n SER 56 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr4 s GLY 57 N -3.46 1.70 0.12 0.46 0.00 -1.24 -5.06 107.32 99.84 2cr4 s GLY 57 Ca 0.39 -1.53 0.03 0.00 0.00 0.00 0.00 44.72 43.62 2cr4 s GLY 57 CO 0.62 -1.57 -0.09 0.54 0.00 0.00 0.00 173.10 172.60 2cr4 s LYS 58 N -3.20 0.92 -0.18 2.90 -0.14 -1.26 -2.46 119.74 116.32 2cr4 s LYS 58 Ca 0.28 -1.32 -0.04 0.00 -1.36 0.00 0.00 55.97 53.53 2cr4 s LYS 58 Cb -0.08 -0.45 0.09 0.00 -1.68 0.00 0.00 37.83 35.71 2cr4 s LYS 58 CO 0.18 0.05 0.29 0.08 -0.76 0.00 0.00 175.35 175.18 2cr4 s VAL 59 N -3.16 -0.45 -0.08 3.17 1.01 -0.34 -1.88 120.40 118.68 2cr4 s VAL 59 Ca 0.12 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2cr4 s VAL 59 Cb 0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 2cr4 s VAL 59 CO -0.01 -0.03 1.72 -0.22 0.00 0.00 0.00 175.10 176.55 2cr4 s LEU 60 N 2.44 4.23 -0.22 3.92 2.96 0.37 -3.12 118.68 129.25 2cr4 s LEU 60 Ca 0.05 2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 56.13 2cr4 s LEU 60 Cb -0.14 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.04 2cr4 s LEU 60 CO -0.11 -1.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.08 2cr4 s VAL 61 N 4.48 2.73 0.15 1.68 1.01 -0.93 0.81 120.40 130.33 2cr4 s VAL 61 Ca 0.76 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2cr4 s VAL 61 Cb -0.33 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2cr4 s VAL 61 CO 0.31 0.35 0.09 -0.69 0.00 0.00 0.00 175.10 175.16 2cr4 s VAL 62 N 1.34 4.26 -0.34 2.92 1.01 -1.25 -1.13 120.40 127.21 2cr4 s VAL 62 Ca 0.03 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 2cr4 s VAL 62 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2cr4 s VAL 62 CO -0.07 -0.07 0.37 0.86 0.00 0.00 0.00 175.10 176.19 2cr4 s TRP 63 N -1.68 3.21 -1.26 5.22 -0.11 0.31 -0.86 118.94 123.77 2cr4 s TRP 63 Ca 0.30 -0.02 -0.12 0.00 1.22 0.00 0.00 56.10 57.47 2cr4 s TRP 63 Cb -0.10 -2.69 0.16 0.00 -1.50 0.00 0.00 33.47 29.34 2cr4 s TRP 63 CO 0.22 -0.44 1.68 -3.47 -4.62 0.00 0.00 176.95 170.32 2cr4 n ASP 64 N 5.40 5.08 -0.33 5.86 2.03 0.17 -3.21 116.55 131.55 2cr4 n ASP 64 Ca -0.09 -3.02 0.29 0.00 0.52 0.00 0.00 54.79 52.49 2cr4 n ASP 64 Cb 0.49 -1.55 0.62 0.00 -0.72 0.00 0.00 41.12 39.97 2cr4 n ASP 64 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2cr4 h GLU 65 N 6.51 0.19 -0.47 -0.67 4.81 -1.90 1.18 114.58 124.24 2cr4 h GLU 65 Ca 0.37 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2cr4 h GLU 65 Cb 0.76 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2cr4 h GLU 65 CO 1.45 0.13 0.31 1.79 -0.73 0.00 0.00 179.01 181.96 2cr4 h THR 66 N 0.20 1.07 -0.00 0.32 1.35 -1.94 -2.57 112.91 111.34 2cr4 h THR 66 Ca 0.59 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 2cr4 h THR 66 Cb 1.90 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2cr4 h THR 66 CO -0.18 0.10 -0.49 -1.20 -0.25 0.00 0.00 175.52 173.51 2cr4 n SER 67 N -4.47 0.66 -2.69 5.36 7.64 0.19 -5.00 113.62 115.30 2cr4 n SER 67 Ca 0.05 -0.83 -0.17 0.00 1.01 0.00 0.00 58.87 58.93 2cr4 n SER 67 Cb 0.12 0.92 0.06 0.00 -1.01 0.00 0.00 64.21 64.29 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N -1.10 -5.02 -3.31 6.43 5.15 0.35 -5.01 115.26 112.75 2cr4 n ASN 68 Ca 0.03 -0.38 -0.16 0.00 -0.60 0.00 0.00 54.58 53.46 2cr4 n ASN 68 Cb 0.19 -3.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.67 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2cr4 s LYS 69 N -5.90 1.85 0.10 1.20 -2.85 -1.12 -4.99 119.74 108.02 2cr4 s LYS 69 Ca 0.40 -1.82 0.07 0.00 -1.00 0.00 0.00 55.97 53.62 2cr4 s LYS 69 Cb -0.18 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 2cr4 s LYS 69 CO 0.52 -0.74 -0.10 0.14 0.10 0.00 0.00 175.35 175.27 2cr4 s VAL 70 N -3.20 3.37 0.52 1.79 -7.23 -1.26 0.44 120.40 114.82 2cr4 s VAL 70 Ca 0.34 -1.24 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2cr4 s VAL 70 Cb 0.01 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.43 2cr4 s VAL 70 CO 0.22 0.13 0.45 0.54 -0.31 0.00 0.00 175.10 176.13 2cr4 n ARG 71 N 0.77 0.71 -3.83 4.82 5.12 -0.04 -4.92 116.66 119.30 2cr4 n ARG 71 Ca -0.14 -3.16 -0.19 0.00 -1.93 0.00 0.00 57.85 52.44 2cr4 n ARG 71 Cb 0.52 0.24 -0.17 0.00 -1.16 0.00 0.00 32.46 31.89 2cr4 n ARG 71 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2cr4 s ASN 72 N -4.08 0.81 -0.37 0.55 -0.87 -1.26 -3.97 114.94 105.75 2cr4 s ASN 72 Ca 0.34 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.62 2cr4 s ASN 72 Cb -0.03 -0.24 0.13 0.00 -0.02 0.00 0.00 41.25 41.09 2cr4 s ASN 72 CO 0.22 -0.15 0.19 -0.31 -2.57 0.00 0.00 177.10 174.47 2cr4 s TYR 73 N 1.48 1.44 0.24 2.20 1.51 0.24 -4.98 117.35 119.48 2cr4 s TYR 73 Ca -0.03 -1.92 -0.31 0.00 -1.01 0.00 0.00 57.07 53.79 2cr4 s TYR 73 Cb -0.13 -1.50 -0.13 0.00 -0.11 0.00 0.00 41.96 40.09 2cr4 s TYR 73 CO -0.03 -0.82 1.36 -2.13 -1.11 0.00 0.00 175.55 172.83 2cr4 n ARG 74 N 4.11 1.95 -3.54 -0.62 0.63 -1.26 0.14 116.66 118.07 2cr4 n ARG 74 Ca 0.06 0.69 -0.41 0.00 -0.92 0.00 0.00 57.85 57.27 2cr4 n ARG 74 Cb 0.37 -2.32 -0.06 0.00 0.45 0.00 0.00 32.46 30.91 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2cr4 s ILE 75 N -0.19 4.65 1.06 5.15 1.01 -0.79 -4.49 121.20 127.60 2cr4 s ILE 75 Ca 0.67 -2.86 -0.13 0.00 0.00 0.00 0.00 60.65 58.33 2cr4 s ILE 75 Cb -0.66 -3.93 0.22 0.00 0.01 0.00 0.00 42.46 38.10 2cr4 s ILE 75 CO 0.51 -0.97 1.08 -0.36 0.00 0.00 0.00 174.94 175.20 2cr4 s PHE 76 N -0.13 1.81 -0.29 3.97 0.08 -0.45 -4.53 117.98 118.45 2cr4 s PHE 76 Ca 0.19 0.94 -0.02 0.00 0.12 0.00 0.00 56.93 58.16 2cr4 s PHE 76 Cb -0.15 -3.26 0.09 0.00 -0.57 0.00 0.00 43.02 39.14 2cr4 s PHE 76 CO -0.06 -3.20 0.10 -2.00 -0.10 0.00 0.00 175.22 169.95 2cr4 s GLU 77 N -4.93 0.55 0.00 0.44 2.12 -1.26 -2.70 118.70 112.93 2cr4 s GLU 77 Ca 0.66 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 55.22 2cr4 s GLU 77 Cb -0.19 -1.78 -0.01 0.00 0.26 0.00 0.00 34.13 32.41 2cr4 s GLU 77 CO 0.59 -0.94 -0.12 0.21 -0.54 0.00 0.00 175.26 174.46 2cr4 s LYS 78 N 1.79 0.92 -0.90 4.30 2.20 -1.20 -4.76 119.74 122.09 2cr4 s LYS 78 Ca 0.08 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2cr4 s LYS 78 Cb -0.17 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 2cr4 s LYS 78 CO -0.26 0.24 0.00 -3.47 -0.36 0.00 0.00 175.35 171.50 2cr4 n ASP 79 N 2.60 -3.31 -2.43 1.43 2.03 -1.26 0.54 116.55 116.15 2cr4 n ASP 79 Ca -0.15 0.25 -0.18 0.00 0.52 0.00 0.00 54.79 55.23 2cr4 n ASP 79 Cb 0.56 -2.88 0.02 0.00 -0.72 0.00 0.00 41.12 38.10 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2cr4 n SER 80 N -1.53 -5.28 -3.61 1.67 7.64 -1.26 -4.99 113.62 106.25 2cr4 n SER 80 Ca -0.12 -0.21 -0.22 0.00 1.01 0.00 0.00 58.87 59.33 2cr4 n SER 80 Cb 0.56 -4.15 -0.16 0.00 -1.01 0.00 0.00 64.21 59.44 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr4 s LYS 81 N -5.40 0.04 0.08 1.43 1.02 0.19 -4.47 119.74 112.63 2cr4 s LYS 81 Ca 0.22 0.15 -0.32 0.00 0.02 0.00 0.00 55.97 56.04 2cr4 s LYS 81 Cb -0.09 -1.22 -0.11 0.00 -0.52 0.00 0.00 37.83 35.88 2cr4 s LYS 81 CO 0.27 -0.54 1.80 1.19 -0.92 0.00 0.00 175.35 177.15 2cr4 n PHE 82 N 5.30 2.49 -4.14 3.18 3.72 -0.28 -3.21 117.46 124.52 2cr4 n PHE 82 Ca -0.05 -0.05 -0.14 0.00 -0.05 0.00 0.00 57.45 57.16 2cr4 n PHE 82 Cb 0.49 -2.68 -0.11 0.00 -0.94 0.00 0.00 39.48 36.24 2cr4 n PHE 82 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2cr4 s TYR 83 N 2.71 0.93 -0.03 1.38 -0.85 -1.10 -0.68 117.35 119.71 2cr4 s TYR 83 Ca 0.84 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 56.76 2cr4 s TYR 83 Cb -0.56 -0.53 -0.03 0.00 0.38 0.00 0.00 41.96 41.22 2cr4 s TYR 83 CO 0.40 -0.05 -0.00 1.28 -1.52 0.00 0.00 175.55 175.66 2cr4 n LEU 84 N 0.73 0.92 -0.10 -3.49 4.77 -1.26 -1.34 117.00 117.23 2cr4 n LEU 84 Ca -0.17 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 2cr4 n LEU 84 Cb 0.57 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 2cr4 n LEU 84 CO 0.25 0.23 -1.16 -1.84 -1.33 0.00 0.00 177.39 173.54 2cr4 n GLU 85 N -2.27 0.76 0.00 3.23 0.00 -1.26 -4.94 120.64 116.16 2cr4 n GLU 85 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2cr4 n GLU 85 Cb 0.59 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.53 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr4 n GLY 86 N 1.83 1.24 0.65 -1.84 0.00 -1.26 -4.83 105.19 100.99 2cr4 n GLY 86 Ca -0.33 -0.67 0.50 0.00 0.00 0.00 0.00 46.02 45.51 2cr4 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr4 n GLU 87 N 0.00 -0.01 -3.19 1.61 -0.00 -1.26 -3.54 120.64 114.26 2cr4 n GLU 87 Ca 0.00 1.06 -0.44 0.00 -0.00 0.00 0.00 57.16 57.78 2cr4 n GLU 87 Cb 0.00 -2.40 -0.06 0.00 -0.00 0.00 0.00 31.44 28.98 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2cr4 s VAL 88 N -4.83 4.92 0.48 3.84 1.01 -1.26 -5.04 120.40 119.53 2cr4 s VAL 88 Ca -0.05 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2cr4 s VAL 88 Cb 0.26 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2cr4 s VAL 88 CO 0.85 -0.82 0.01 -0.76 0.00 0.00 0.00 175.10 174.38 2cr4 s LEU 89 N 2.47 2.46 -0.17 3.92 1.02 -1.23 -4.04 118.68 123.11 2cr4 s LEU 89 Ca 0.13 -1.57 -0.04 0.00 0.02 0.00 0.00 54.13 52.67 2cr4 s LEU 89 Cb -0.21 -0.79 0.08 0.00 0.02 0.00 0.00 46.19 45.29 2cr4 s LEU 89 CO 0.10 -0.75 0.24 -0.36 0.02 0.00 0.00 176.35 175.60 2cr4 s PHE 90 N -2.83 -0.34 0.26 0.29 0.08 0.15 -4.92 117.98 110.67 2cr4 s PHE 90 Ca 0.14 0.50 0.12 0.00 0.12 0.00 0.00 56.93 57.82 2cr4 s PHE 90 Cb 0.04 -0.24 0.90 0.00 -0.57 0.00 0.00 43.02 43.14 2cr4 s PHE 90 CO 0.07 -0.51 1.15 1.55 -0.10 0.00 0.00 175.22 177.39 2cr4 n VAL 91 N 5.33 -0.31 -3.88 -0.44 3.14 -1.26 -1.12 118.33 119.79 2cr4 n VAL 91 Ca -0.05 1.51 -0.11 0.00 -2.96 0.00 0.00 64.34 62.73 2cr4 n VAL 91 Cb 0.50 -2.40 -0.10 0.00 -1.06 0.00 0.00 33.84 30.77 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2cr4 s SER 92 N -4.72 0.04 0.23 6.55 0.01 -1.26 -4.50 113.70 110.04 2cr4 s SER 92 Ca -0.07 -0.20 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 2cr4 s SER 92 Cb 0.24 0.20 0.38 0.00 0.21 0.00 0.00 66.02 67.05 2cr4 s SER 92 CO 0.57 -0.34 1.64 0.58 0.41 0.00 0.00 173.24 176.10 2cr4 h VAL 93 N 4.36 0.38 -0.87 3.43 2.07 -1.93 -1.82 116.25 121.87 2cr4 h VAL 93 Ca -0.30 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.29 2cr4 h VAL 93 Cb 1.20 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 2cr4 h VAL 93 CO 0.41 0.02 -0.51 1.23 0.02 0.00 0.00 177.57 178.74 2cr4 h GLY 94 N 0.09 -0.55 0.51 2.17 0.00 -1.94 0.61 103.07 103.96 2cr4 h GLY 94 Ca 0.38 0.68 0.05 0.00 0.00 0.00 0.00 47.33 48.43 2cr4 h GLY 94 CO -0.63 -0.07 -0.06 1.76 0.00 0.00 0.00 176.54 177.53 2cr4 h SER 95 N -0.08 -0.23 -0.50 0.19 0.02 -1.72 -2.27 113.55 108.96 2cr4 h SER 95 Ca 0.20 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.33 2cr4 h SER 95 Cb 0.50 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.10 2cr4 h SER 95 CO -0.88 -0.08 -0.13 -0.03 -1.14 0.00 0.00 176.83 174.57 2cr4 h MET 96 N -0.01 -0.00 -0.23 3.45 4.05 -0.74 -0.46 114.93 120.99 2cr4 h MET 96 Ca 0.12 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 2cr4 h MET 96 Cb 0.18 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.93 2cr4 h MET 96 CO -0.25 -0.00 -0.12 0.28 0.23 0.00 0.00 176.91 177.04 2cr4 h VAL 97 N -0.00 0.62 -0.49 -5.77 2.07 -0.50 -0.59 116.25 111.58 2cr4 h VAL 97 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 2cr4 h VAL 97 Cb 0.37 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2cr4 h VAL 97 CO -0.52 0.00 0.33 -0.33 0.02 0.00 0.00 177.57 177.07 2cr4 h GLU 98 N -0.10 0.49 -0.29 1.57 5.08 -0.80 -0.52 114.58 120.01 2cr4 h GLU 98 Ca 0.13 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2cr4 h GLU 98 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2cr4 h GLU 98 CO -0.30 0.32 -0.05 1.25 -1.00 0.00 0.00 179.01 179.24 2cr4 h HIS 99 N 0.50 0.61 -0.41 4.33 2.76 0.33 -3.11 115.15 120.17 2cr4 h HIS 99 Ca 0.20 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 58.14 2cr4 h HIS 99 Cb 0.18 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2cr4 h HIS 99 CO -0.00 0.73 -0.18 1.88 -1.30 0.00 0.00 177.93 179.05 2cr4 h TYR 100 N 0.32 0.88 -1.51 5.26 0.05 -0.50 -2.05 116.97 119.42 2cr4 h TYR 100 Ca 0.08 -0.19 0.46 0.00 0.05 0.00 0.00 58.73 59.13 2cr4 h TYR 100 Cb 0.51 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 37.96 2cr4 h TYR 100 CO 0.05 0.91 1.06 0.72 -1.05 0.00 0.00 178.16 179.85 2cr4 n HIS 101 N -4.13 0.17 -0.01 4.88 8.25 -0.27 0.10 115.22 124.22 2cr4 n HIS 101 Ca 0.01 0.18 0.02 0.00 -0.26 0.00 0.00 57.72 57.66 2cr4 n HIS 101 Cb 0.41 -0.59 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 2cr4 n HIS 101 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cr4 n THR 102 N -3.83 0.14 -3.61 1.59 -2.24 -1.14 -4.81 114.28 100.37 2cr4 n THR 102 Ca 0.36 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 2cr4 n THR 102 Cb 1.58 -0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.40 3.50 0.33 4.78 4.02 0.29 -5.07 115.29 120.73 2cr4 s HIS 103 Ca -0.03 -2.54 -0.18 0.00 1.02 0.00 0.00 55.06 53.34 2cr4 s HIS 103 Cb 0.04 -3.36 -0.13 0.00 -1.02 0.00 0.00 32.58 28.11 2cr4 s HIS 103 CO 0.29 -0.88 0.08 1.55 1.02 0.00 0.00 174.74 176.81 2cr4 n VAL 104 N 3.57 0.55 -1.65 -0.90 3.14 -1.22 -4.34 118.33 117.48 2cr4 n VAL 104 Ca 0.10 -0.41 -0.33 0.00 -2.96 0.00 0.00 64.34 60.74 2cr4 n VAL 104 Cb 0.40 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.24 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 3.56 3.31 0.83 6.55 1.43 -0.77 -4.97 118.68 128.62 2cr4 s LEU 105 Ca 0.49 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 2cr4 s LEU 105 Cb -0.53 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.23 2cr4 s LEU 105 CO 0.52 -1.73 1.09 -2.16 0.23 0.00 0.00 176.35 174.30 2cr4 s PRO 106 N -4.26 1.79 -1.03 1.29 0.04 -1.26 -3.76 135.00 127.82 2cr4 s PRO 106 Ca 0.66 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2cr4 s PRO 106 Cb -0.20 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2cr4 s PRO 106 CO 0.45 -1.92 0.00 0.43 0.04 0.00 0.00 177.00 175.99 2cr4 n SER 107 N -3.69 -3.91 -2.10 6.66 7.64 -1.26 -4.97 113.62 111.99 2cr4 n SER 107 Ca 0.08 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 60.02 2cr4 n SER 107 Cb 0.54 -2.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.98 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2cr4 n HIS 108 N -3.35 -1.49 -0.01 1.43 -0.00 -1.25 -5.11 115.22 105.45 2cr4 n HIS 108 Ca -0.12 -1.21 -0.05 0.00 -0.00 0.00 0.00 57.72 56.34 2cr4 n HIS 108 Cb 0.48 0.45 -0.02 0.00 -0.00 0.00 0.00 29.99 30.90 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.32 0.19 -2.99 1.57 10.64 -1.26 -4.90 117.38 120.31 2cr4 n GLN 109 Ca -0.03 0.08 -0.19 0.00 -1.83 0.00 0.00 57.00 55.03 2cr4 n GLN 109 Cb 0.35 -0.83 -0.02 0.00 -0.86 0.00 0.00 30.24 28.87 2cr4 n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2cr4 n SER 110 N -3.73 1.88 -4.14 2.61 3.41 -1.26 -4.91 113.62 107.48 2cr4 n SER 110 Ca -0.09 -3.12 -0.38 0.00 -0.26 0.00 0.00 58.87 55.02 2cr4 n SER 110 Cb 0.30 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2cr4 s LEU 111 N -2.83 5.47 0.41 1.04 2.96 -1.26 -5.05 118.68 119.41 2cr4 s LEU 111 Ca 0.40 -2.52 0.08 0.00 -0.22 0.00 0.00 54.13 51.86 2cr4 s LEU 111 Cb 0.36 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2cr4 s LEU 111 CO -0.07 -0.48 0.35 -0.76 -1.32 0.00 0.00 176.35 174.07 2cr4 s LEU 112 N 0.43 3.39 -0.43 -0.68 1.43 -1.26 -1.84 118.68 119.72 2cr4 s LEU 112 Ca 0.13 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 2cr4 s LEU 112 Cb -0.21 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2cr4 s LEU 112 CO -0.04 -0.61 0.62 -0.76 0.23 0.00 0.00 176.35 175.80 2cr4 s LEU 113 N -4.10 4.51 -0.14 1.79 1.43 -1.26 -4.61 118.68 116.30 2cr4 s LEU 113 Ca 0.47 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2cr4 s LEU 113 Cb -0.03 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2cr4 s LEU 113 CO 0.27 -0.74 -0.25 0.54 0.23 0.00 0.00 176.35 176.40 2cr4 n ARG 114 N 6.18 0.42 -4.39 1.70 1.74 -1.24 -4.73 116.66 116.34 2cr4 n ARG 114 Ca -0.02 0.26 -0.20 0.00 -0.77 0.00 0.00 57.85 57.12 2cr4 n ARG 114 Cb 0.48 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.42 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.42 0.92 1.20 -1.55 3.76 -1.25 -5.04 115.29 110.91 2cr4 s HIS 115 Ca -0.21 -0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 54.29 2cr4 s HIS 115 Cb 0.03 -0.65 0.29 0.00 1.11 0.00 0.00 32.58 33.36 2cr4 s HIS 115 CO 0.30 -0.08 1.11 -1.25 -0.85 0.00 0.00 174.74 173.97 2cr4 s PRO 116 N 0.11 -1.20 0.22 8.40 0.04 -1.26 -1.87 135.00 139.43 2cr4 s PRO 116 Ca -0.02 -0.06 -0.08 0.00 0.04 0.00 0.00 61.00 60.88 2cr4 s PRO 116 Cb -0.07 -1.60 -0.07 0.00 0.04 0.00 0.00 34.50 32.80 2cr4 s PRO 116 CO 0.00 -3.70 0.51 -0.47 0.04 0.00 0.00 177.00 173.38 2cr4 s TYR 117 N -3.01 3.44 0.00 0.56 5.04 0.65 -4.33 117.35 119.70 2cr4 s TYR 117 Ca 0.71 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2cr4 s TYR 117 Cb -0.10 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 40.03 2cr4 s TYR 117 CO 0.56 0.29 0.00 0.41 -1.34 0.00 0.00 175.55 175.47 2cr4 n GLY 118 N -0.20 1.31 3.68 8.97 0.00 -1.26 -3.17 105.19 114.52 2cr4 n GLY 118 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 1.37 -4.31 1.61 9.36 -1.26 -5.03 117.16 118.90 2cr4 n TYR 119 Ca 0.00 0.41 -0.24 0.00 3.32 0.00 0.00 57.90 61.39 2cr4 n TYR 119 Cb 0.00 -2.17 -0.12 0.00 -0.63 0.00 0.00 39.34 36.41 2cr4 n TYR 119 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2cr4 s THR 120 N -1.66 1.79 0.15 2.97 -1.32 -1.26 -4.92 115.64 111.38 2cr4 s THR 120 Ca 0.78 -1.66 0.10 0.00 -1.21 0.00 0.00 61.69 59.70 2cr4 s THR 120 Cb -0.36 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 2cr4 s THR 120 CO 0.46 -0.12 -0.23 -0.94 -2.21 0.00 0.00 174.62 171.58 2cr4 s SER 121 N -2.12 3.05 0.40 8.08 1.04 -1.26 -5.14 113.70 117.75 2cr4 s SER 121 Ca 0.09 -0.80 -0.14 0.00 0.48 0.00 0.00 55.95 55.58 2cr4 s SER 121 Cb -0.09 -0.20 -0.08 0.00 0.10 0.00 0.00 66.02 65.75 2cr4 s SER 121 CO 0.05 0.09 0.81 -0.83 0.98 0.00 0.00 173.24 174.34 2cr4 s GLY 122 N -2.37 2.14 0.28 7.32 0.00 -1.26 -4.96 107.32 108.46 2cr4 s GLY 122 Ca 0.15 0.00 0.24 0.00 0.00 0.00 0.00 44.72 45.11 2cr4 s GLY 122 CO 0.07 0.22 1.73 -0.56 0.00 0.00 0.00 173.10 174.56 2cr4 h PRO 123 N 1.60 0.00 -0.02 2.90 0.13 -2.01 -3.18 132.00 131.42 2cr4 h PRO 123 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2cr4 h PRO 123 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2cr4 h PRO 123 CO 0.64 0.00 -0.02 0.77 -0.23 0.00 0.00 178.00 179.16 2cr4 h SER 124 N 0.00 -0.05 -0.02 1.44 0.02 -2.07 -2.99 113.55 109.89 2cr4 h SER 124 Ca 0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2cr4 h SER 124 Cb 0.37 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2cr4 h SER 124 CO 0.00 -0.02 -0.18 -1.28 -1.14 0.00 0.00 176.83 174.20 2cr4 h SER 125 N -0.02 -0.54 -0.02 3.07 0.87 -1.97 -3.56 113.55 111.38 2cr4 h SER 125 Ca 0.01 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2cr4 h SER 125 Cb 0.04 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2cr4 h SER 125 CO -0.03 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.64