#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 n SER 2 N 0.00 -1.23 -0.12 1.61 3.41 -1.26 -4.99 113.62 111.04 2cr4 n SER 2 Ca 0.00 0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 2cr4 n SER 2 Cb 0.00 -1.29 -0.09 0.00 -0.26 0.00 0.00 64.21 62.56 2cr4 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cr4 n SER 3 N -4.30 1.93 0.00 4.04 7.64 -1.26 -5.10 113.62 116.57 2cr4 n SER 3 Ca 0.06 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2cr4 n SER 3 Cb 0.54 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2cr4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr4 n GLY 4 N 1.88 3.40 3.46 0.23 0.00 -1.26 -5.19 105.19 107.71 2cr4 n GLY 4 Ca -0.44 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2cr4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr4 s SER 5 N 1.77 0.15 -0.49 1.61 1.04 -1.26 -5.05 113.70 111.48 2cr4 s SER 5 Ca 0.00 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 2cr4 s SER 5 Cb 0.00 0.54 0.27 0.00 0.10 0.00 0.00 66.02 66.93 2cr4 s SER 5 CO 0.00 -1.08 2.16 -1.20 0.98 0.00 0.00 173.24 174.10 2cr4 n SER 6 N -0.52 6.93 0.00 7.02 7.64 -1.26 -4.92 113.62 128.51 2cr4 n SER 6 Ca -0.00 -3.37 0.00 0.00 1.01 0.00 0.00 58.87 56.51 2cr4 n SER 6 Cb 0.63 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2cr4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr4 n GLY 7 N -0.01 -0.59 3.61 0.23 0.00 -1.26 -5.14 105.19 102.02 2cr4 n GLY 7 Ca 0.45 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2cr4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr4 s GLU 8 N -1.19 2.72 -0.81 1.61 8.01 -1.26 -5.07 118.70 122.70 2cr4 s GLU 8 Ca 0.00 -0.59 -0.12 0.00 0.01 0.00 0.00 54.97 54.27 2cr4 s GLU 8 Cb 0.00 -2.60 0.21 0.00 -4.31 0.00 0.00 34.13 27.44 2cr4 s GLU 8 CO 0.00 0.65 0.74 -0.51 0.01 0.00 0.00 175.26 176.15 2cr4 s ASP 9 N -1.07 6.57 -0.34 -0.19 1.11 -1.26 -4.98 116.67 116.51 2cr4 s ASP 9 Ca 0.15 -2.78 -0.00 0.00 0.18 0.00 0.00 52.55 50.10 2cr4 s ASP 9 Cb -0.11 -2.16 0.11 0.00 1.07 0.00 0.00 42.92 41.83 2cr4 s ASP 9 CO 0.04 -0.52 0.14 -0.31 1.18 0.00 0.00 175.17 175.69 2cr4 s TYR 10 N 0.04 1.56 -0.03 4.23 1.51 -1.26 -4.92 117.35 118.48 2cr4 s TYR 10 Ca 0.19 -1.78 0.04 0.00 -1.01 0.00 0.00 57.07 54.50 2cr4 s TYR 10 Cb -0.11 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.07 2cr4 s TYR 10 CO -0.08 -0.85 0.04 -0.85 -1.11 0.00 0.00 175.55 172.69 2cr4 n GLU 11 N 4.57 2.33 -0.73 -0.62 0.28 -1.26 -4.68 120.64 120.54 2cr4 n GLU 11 Ca 0.01 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.93 2cr4 n GLU 11 Cb 0.40 -1.10 -0.05 0.00 1.43 0.00 0.00 31.44 32.12 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cr4 n LYS 12 N -1.99 1.44 -4.55 3.44 5.02 -1.26 -4.85 118.16 115.41 2cr4 n LYS 12 Ca -0.05 -0.56 -0.31 0.00 -2.02 0.00 0.00 58.31 55.37 2cr4 n LYS 12 Cb 0.46 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.04 3.09 -0.02 -0.18 -7.23 -1.26 -5.05 120.40 109.71 2cr4 s VAL 13 Ca 0.26 -1.09 -0.25 0.00 -1.81 0.00 0.00 61.98 59.09 2cr4 s VAL 13 Cb 0.14 -2.33 -0.18 0.00 0.56 0.00 0.00 36.38 34.56 2cr4 s VAL 13 CO -0.01 0.32 1.17 1.55 -0.31 0.00 0.00 175.10 177.82 2cr4 h PRO 14 N 4.42 -0.14 -4.09 4.82 0.13 -2.00 -3.43 132.00 131.71 2cr4 h PRO 14 Ca -0.48 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 2cr4 h PRO 14 Cb 1.16 0.03 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 2cr4 h PRO 14 CO 0.50 0.30 -0.78 -0.51 -0.23 0.00 0.00 178.00 177.28 2cr4 s LEU 15 N -9.24 2.01 1.17 1.56 2.01 -1.26 -4.87 118.68 110.05 2cr4 s LEU 15 Ca -0.15 -0.98 -0.18 0.00 0.01 0.00 0.00 54.13 52.83 2cr4 s LEU 15 Cb 0.01 -0.97 0.27 0.00 0.01 0.00 0.00 46.19 45.52 2cr4 s LEU 15 CO 0.60 -0.25 1.11 -2.16 1.01 0.00 0.00 176.35 176.66 2cr4 s PRO 16 N 1.57 -0.96 0.00 1.29 0.04 -1.26 -4.97 135.00 130.71 2cr4 s PRO 16 Ca -0.03 0.03 0.25 0.00 0.04 0.00 0.00 61.00 61.29 2cr4 s PRO 16 Cb -0.18 -1.62 0.46 0.00 0.04 0.00 0.00 34.50 33.21 2cr4 s PRO 16 CO -0.07 -3.56 1.40 0.09 0.04 0.00 0.00 177.00 174.90 2cr4 n ASN 17 N -4.67 2.08 0.06 6.66 3.02 -1.26 -4.21 115.26 116.95 2cr4 n ASN 17 Ca 0.12 -1.59 -0.21 0.00 -0.03 0.00 0.00 54.58 52.87 2cr4 n ASN 17 Cb 0.59 0.13 -0.14 0.00 -0.61 0.00 0.00 39.78 39.75 2cr4 n ASN 17 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2cr4 h SER 18 N 3.04 0.62 -0.92 6.41 0.02 -1.93 -3.30 113.55 117.48 2cr4 h SER 18 Ca 0.00 -0.89 0.02 0.00 -0.84 0.00 0.00 61.79 60.08 2cr4 h SER 18 Cb 0.74 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 2cr4 h SER 18 CO 0.00 1.45 0.61 -0.37 -1.14 0.00 0.00 176.83 177.38 2cr4 h VAL 19 N -0.12 1.21 -3.33 2.27 -1.51 -1.70 -3.40 116.25 109.68 2cr4 h VAL 19 Ca -0.16 -0.42 -0.56 0.00 -1.23 0.00 0.00 66.70 64.33 2cr4 h VAL 19 Cb 1.71 -0.11 -0.06 0.00 -2.13 0.00 0.00 31.29 30.70 2cr4 h VAL 19 CO 0.18 0.22 1.05 -0.36 -1.23 0.00 0.00 177.57 177.43 2cr4 s PHE 20 N -6.01 2.47 0.02 5.19 0.40 -1.25 -1.29 117.98 117.51 2cr4 s PHE 20 Ca -0.12 0.66 0.04 0.00 -0.60 0.00 0.00 56.93 56.90 2cr4 s PHE 20 Cb 0.18 -4.35 -0.04 0.00 0.51 0.00 0.00 43.02 39.33 2cr4 s PHE 20 CO 0.81 -1.84 -0.05 0.54 0.70 0.00 0.00 175.22 175.37 2cr4 s VAL 21 N 5.31 3.75 -0.41 -0.44 0.11 -0.33 -4.97 120.40 123.42 2cr4 s VAL 21 Ca 0.58 -0.83 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 2cr4 s VAL 21 Cb -0.12 -2.67 0.31 0.00 -1.53 0.00 0.00 36.38 32.37 2cr4 s VAL 21 CO 0.32 0.33 1.22 -3.20 -3.33 0.00 0.00 175.10 170.44 2cr4 n ASN 22 N 1.32 3.17 -4.63 3.54 2.85 -1.26 -3.51 115.26 116.73 2cr4 n ASN 22 Ca -0.14 -2.54 -0.38 0.00 -0.11 0.00 0.00 54.58 51.40 2cr4 n ASN 22 Cb 0.52 -0.61 -0.09 0.00 1.24 0.00 0.00 39.78 40.84 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 s THR 23 N -1.53 5.23 -0.41 -0.44 -1.32 -1.26 -4.92 115.64 110.99 2cr4 s THR 23 Ca 0.23 0.49 0.01 0.00 -1.21 0.00 0.00 61.69 61.21 2cr4 s THR 23 Cb 0.19 -3.65 0.40 0.00 -1.51 0.00 0.00 72.50 67.92 2cr4 s THR 23 CO 0.05 0.22 1.86 0.35 -2.21 0.00 0.00 174.62 174.90 2cr4 n THR 24 N 4.78 2.91 -3.77 5.08 -2.24 -1.26 -3.14 114.28 116.64 2cr4 n THR 24 Ca -0.10 -1.85 -0.13 0.00 -2.27 0.00 0.00 64.05 59.70 2cr4 n THR 24 Cb 0.51 -0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.59 0.17 0.11 -0.78 2.02 -1.26 -4.66 118.70 111.71 2cr4 s GLU 25 Ca 0.44 0.36 -0.11 0.00 0.02 0.00 0.00 54.97 55.68 2cr4 s GLU 25 Cb 0.36 -0.04 -0.12 0.00 0.10 0.00 0.00 34.13 34.42 2cr4 s GLU 25 CO 0.03 -0.10 1.32 0.66 0.02 0.00 0.00 175.26 177.19 2cr4 h SER 26 N 6.63 0.85 -0.66 -0.19 4.64 -1.94 -3.25 113.55 119.64 2cr4 h SER 26 Ca -0.35 -0.58 0.14 0.00 -0.47 0.00 0.00 61.79 60.54 2cr4 h SER 26 Cb 1.17 -0.25 -0.12 0.00 -0.31 0.00 0.00 62.40 62.89 2cr4 h SER 26 CO 0.40 1.37 -0.03 0.00 -0.87 0.00 0.00 176.83 177.70 2cr4 h GLU 28 N 0.09 -0.99 -0.64 0.00 4.57 -2.00 -2.92 114.58 112.69 2cr4 h GLU 28 Ca 0.35 0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.67 2cr4 h GLU 28 Cb 0.57 0.23 -0.10 0.00 -0.16 0.00 0.00 28.75 29.29 2cr4 h GLU 28 CO -0.60 -0.66 -0.54 0.28 -1.18 0.00 0.00 179.01 176.31 2cr4 h VAL 29 N -1.03 0.01 -0.92 0.32 2.07 -1.40 0.21 116.25 115.51 2cr4 h VAL 29 Ca -0.09 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.69 2cr4 h VAL 29 Cb 0.81 0.01 -0.16 0.00 -1.52 0.00 0.00 31.29 30.44 2cr4 h VAL 29 CO 0.13 0.00 0.16 -0.08 0.02 0.00 0.00 177.57 177.79 2cr4 h GLU 30 N -0.23 0.10 0.56 1.57 4.81 -1.26 -0.76 114.58 119.37 2cr4 h GLU 30 Ca 0.13 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2cr4 h GLU 30 Cb 0.53 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.90 2cr4 h GLU 30 CO -0.73 0.06 -0.27 0.00 -0.73 0.00 0.00 179.01 177.34 2cr4 h ARG 31 N 0.10 -0.72 -0.98 1.92 2.47 -0.49 -3.22 114.38 113.45 2cr4 h ARG 31 Ca 0.59 0.05 0.21 0.00 -1.26 0.00 0.00 59.98 59.57 2cr4 h ARG 31 Cb 1.23 0.16 -0.19 0.00 -1.65 0.00 0.00 29.97 29.53 2cr4 h ARG 31 CO -0.77 -0.42 -0.18 -0.07 0.56 0.00 0.00 179.97 179.08 2cr4 h LEU 32 N -1.09 -0.81 -0.61 3.04 3.38 0.40 0.15 115.31 119.76 2cr4 h LEU 32 Ca -0.08 0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2cr4 h LEU 32 Cb 0.63 0.58 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 2cr4 h LEU 32 CO 0.13 -0.33 -0.48 -0.26 0.09 0.00 0.00 178.44 177.58 2cr4 h PHE 33 N 0.00 -1.46 -0.65 1.13 -1.00 -1.25 0.36 116.94 114.09 2cr4 h PHE 33 Ca 0.50 0.09 -0.05 0.00 2.81 0.00 0.00 57.97 61.31 2cr4 h PHE 33 Cb 0.83 0.72 -0.03 0.00 3.61 0.00 0.00 35.95 41.08 2cr4 h PHE 33 CO -0.70 -0.43 0.18 0.87 -1.61 0.00 0.00 178.31 176.62 2cr4 h LYS 34 N -0.23 0.99 0.41 1.51 1.57 -0.84 -3.05 116.57 116.94 2cr4 h LYS 34 Ca 0.16 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2cr4 h LYS 34 Cb 0.55 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2cr4 h LYS 34 CO -0.71 0.86 -0.23 0.00 -0.57 0.00 0.00 179.45 178.80 2cr4 h ALA 35 N 1.24 -1.11 -0.50 3.86 0.00 0.87 -2.20 119.26 121.43 2cr4 h ALA 35 Ca 0.21 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2cr4 h ALA 35 Cb 0.30 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2cr4 h ALA 35 CO -0.01 -1.08 0.84 0.00 0.00 0.00 0.00 179.25 179.01 2cr4 h THR 36 N -0.60 0.09 -3.73 0.00 1.03 -0.44 -3.40 112.91 105.87 2cr4 h THR 36 Ca -0.06 0.00 -0.50 0.00 -0.01 0.00 0.00 66.41 65.84 2cr4 h THR 36 Cb 0.47 0.27 -0.01 0.00 -1.07 0.00 0.00 68.15 67.81 2cr4 h THR 36 CO 0.07 0.00 0.40 -0.55 -0.01 0.00 0.00 175.52 175.43 2cr4 s SER 37 N -3.95 7.47 0.52 0.00 0.15 -0.83 -4.94 113.70 112.12 2cr4 s SER 37 Ca -0.03 2.05 0.33 0.00 0.70 0.00 0.00 55.95 59.01 2cr4 s SER 37 Cb 0.11 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 63.18 2cr4 s SER 37 CO 0.36 -0.00 1.97 1.55 1.20 0.00 0.00 173.24 178.32 2cr4 h PRO 38 N 4.31 0.00 -0.22 5.44 0.13 -1.82 -2.72 132.00 137.11 2cr4 h PRO 38 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2cr4 h PRO 38 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2cr4 h PRO 38 CO 0.69 0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 178.98 2cr4 n ARG 39 N -3.00 2.47 -2.17 0.86 1.74 -1.26 -4.95 116.66 110.35 2cr4 n ARG 39 Ca 0.01 -2.84 -0.15 0.00 -0.77 0.00 0.00 57.85 54.09 2cr4 n ARG 39 Cb 0.29 -1.78 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 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 -0.77 -0.00 3.08 -0.13 0.00 -1.03 -4.93 105.19 101.41 2cr4 n GLY 40 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.58 0.21 1.02 1.61 -1.05 -1.22 -4.76 118.70 109.93 2cr4 s GLU 41 Ca 0.00 0.78 -0.13 0.00 -0.15 0.00 0.00 54.97 55.48 2cr4 s GLU 41 Cb 0.00 0.03 0.20 0.00 -0.44 0.00 0.00 34.13 33.92 2cr4 s GLU 41 CO 0.00 -0.25 1.09 -1.25 0.95 0.00 0.00 175.26 175.80 2cr4 s PRO 42 N 2.24 0.27 -0.07 -4.83 0.04 -1.26 -4.83 135.00 126.56 2cr4 s PRO 42 Ca -0.01 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 2cr4 s PRO 42 Cb -0.12 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2cr4 s PRO 42 CO -0.10 -2.83 0.01 -0.65 0.04 0.00 0.00 177.00 173.48 2cr4 s GLN 43 N -4.97 2.97 -0.34 4.56 -0.21 -1.26 -5.03 119.66 115.37 2cr4 s GLN 43 Ca 0.66 -0.43 -0.38 0.00 0.02 0.00 0.00 55.36 55.22 2cr4 s GLN 43 Cb -0.19 -2.79 -0.14 0.00 1.00 0.00 0.00 33.01 30.90 2cr4 s GLN 43 CO 0.58 0.69 2.01 -3.47 -2.12 0.00 0.00 175.29 172.98 2cr4 n ASP 44 N 1.99 2.04 0.00 5.90 2.03 -1.26 -0.74 116.55 126.51 2cr4 n ASP 44 Ca -0.18 0.71 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2cr4 n ASP 44 Cb 0.53 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 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 5.80 1.56 3.48 0.27 0.00 -1.22 -4.70 105.19 110.38 2cr4 n GLY 45 Ca 0.38 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.93 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 2.12 -4.55 0.99 7.94 0.08 -3.60 117.00 119.98 2cr4 n LEU 46 Ca 0.00 0.23 -0.26 0.00 -1.11 0.00 0.00 56.01 54.87 2cr4 n LEU 46 Cb 0.00 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 42.53 2cr4 n LEU 46 CO 0.00 -0.85 -0.38 -0.72 -1.11 0.00 0.00 177.39 174.33 2cr4 s TYR 47 N 8.30 2.41 0.19 1.96 1.13 -0.91 0.10 117.35 130.54 2cr4 s TYR 47 Ca 1.09 -0.49 -0.09 0.00 -1.41 0.00 0.00 57.07 56.18 2cr4 s TYR 47 Cb -0.73 -1.37 0.04 0.00 -1.10 0.00 0.00 41.96 38.79 2cr4 s TYR 47 CO 0.44 0.58 0.47 0.00 -2.51 0.00 0.00 175.55 174.54 2cr4 s ILE 49 N -2.45 0.21 0.31 0.00 1.01 -0.41 -1.77 121.20 118.10 2cr4 s ILE 49 Ca 0.10 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.35 2cr4 s ILE 49 Cb -0.02 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2cr4 s ILE 49 CO 0.06 -0.34 0.17 0.00 0.00 0.00 0.00 174.94 174.82 2cr4 s ARG 50 N 1.99 2.55 0.65 2.79 1.70 -1.09 -1.19 118.95 126.35 2cr4 s ARG 50 Ca 0.02 -1.38 -0.11 0.00 -0.47 0.00 0.00 55.73 53.80 2cr4 s ARG 50 Cb -0.16 -2.32 -0.02 0.00 -0.57 0.00 0.00 34.95 31.87 2cr4 s ARG 50 CO -0.14 0.19 1.04 -0.80 -1.08 0.00 0.00 175.30 174.52 2cr4 s ASN 51 N -3.86 5.95 -0.01 -2.89 0.01 -1.19 -1.51 114.94 111.44 2cr4 s ASN 51 Ca 0.37 1.48 0.04 0.00 -0.71 0.00 0.00 52.86 54.04 2cr4 s ASN 51 Cb -0.05 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 2cr4 s ASN 51 CO 0.24 -1.06 -0.11 -0.55 -1.51 0.00 0.00 177.10 174.11 2cr4 s SER 52 N -4.06 4.32 0.66 -1.22 0.15 -1.25 -4.48 113.70 107.82 2cr4 s SER 52 Ca 0.56 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 57.23 2cr4 s SER 52 Cb -0.12 -0.94 1.14 0.00 -1.71 0.00 0.00 66.02 64.39 2cr4 s SER 52 CO 0.54 0.30 1.64 0.77 1.20 0.00 0.00 173.24 177.70 2cr4 h SER 53 N 4.81 0.00 -3.00 5.45 4.64 -1.93 -3.39 113.55 120.13 2cr4 h SER 53 Ca -0.48 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 2cr4 h SER 53 Cb 1.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 2cr4 h SER 53 CO 0.51 0.00 -0.55 -0.89 -0.87 0.00 0.00 176.83 175.03 2cr4 s THR 54 N -4.13 4.89 0.00 2.95 2.01 -1.26 -4.99 115.64 115.11 2cr4 s THR 54 Ca -0.02 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 2cr4 s THR 54 Cb 0.07 -3.13 -0.17 0.00 0.01 0.00 0.00 72.50 69.28 2cr4 s THR 54 CO 0.23 0.54 2.89 0.29 -0.69 0.00 0.00 174.62 177.88 2cr4 n LYS 55 N 1.82 1.55 -0.12 4.92 5.02 -1.26 -4.04 118.16 126.05 2cr4 n LYS 55 Ca -0.18 -0.64 -0.21 0.00 -2.02 0.00 0.00 58.31 55.27 2cr4 n LYS 55 Cb 0.54 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2cr4 n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cr4 n SER 56 N 2.25 1.95 -0.64 4.39 2.88 -1.26 -5.12 113.62 118.07 2cr4 n SER 56 Ca 0.27 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2cr4 n SER 56 Cb 0.72 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2cr4 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr4 n GLY 57 N 1.34 0.99 3.96 0.46 0.00 -1.26 -4.76 105.19 105.92 2cr4 n GLY 57 Ca -0.37 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N -0.91 1.53 -0.13 1.61 -0.14 -1.25 -3.80 119.74 116.65 2cr4 s LYS 58 Ca 0.00 -0.68 -0.04 0.00 -1.36 0.00 0.00 55.97 53.89 2cr4 s LYS 58 Cb 0.00 -2.15 0.05 0.00 -1.68 0.00 0.00 37.83 34.05 2cr4 s LYS 58 CO 0.00 -1.66 0.07 0.08 -0.76 0.00 0.00 175.35 173.08 2cr4 s VAL 59 N -3.38 -0.01 -0.15 3.17 1.01 -0.57 -0.61 120.40 119.86 2cr4 s VAL 59 Ca 0.67 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2cr4 s VAL 59 Cb -0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2cr4 s VAL 59 CO 0.47 -0.12 1.46 -0.22 0.00 0.00 0.00 175.10 176.69 2cr4 s LEU 60 N 2.11 4.15 -0.28 3.92 2.96 0.13 -2.65 118.68 129.02 2cr4 s LEU 60 Ca 0.03 1.82 -0.03 0.00 -0.22 0.00 0.00 54.13 55.73 2cr4 s LEU 60 Cb -0.15 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.04 2cr4 s LEU 60 CO -0.07 -0.93 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.33 2cr4 s VAL 61 N 4.06 3.12 0.09 1.68 1.01 -0.73 -0.70 120.40 128.92 2cr4 s VAL 61 Ca 0.64 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2cr4 s VAL 61 Cb -0.26 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2cr4 s VAL 61 CO 0.23 0.05 0.11 -0.69 0.00 0.00 0.00 175.10 174.80 2cr4 s VAL 62 N 1.33 4.70 -0.15 2.92 1.01 -1.23 -1.00 120.40 127.97 2cr4 s VAL 62 Ca -0.02 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2cr4 s VAL 62 Cb -0.18 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2cr4 s VAL 62 CO -0.02 0.10 0.50 0.86 0.00 0.00 0.00 175.10 176.54 2cr4 s TRP 63 N -1.46 3.45 -0.79 5.22 -0.11 0.29 0.29 118.94 125.83 2cr4 s TRP 63 Ca 0.31 0.85 -0.13 0.00 1.22 0.00 0.00 56.10 58.35 2cr4 s TRP 63 Cb -0.12 -2.61 0.21 0.00 -1.50 0.00 0.00 33.47 29.44 2cr4 s TRP 63 CO 0.23 0.04 0.72 0.34 -4.62 0.00 0.00 176.95 173.66 2cr4 s ASP 64 N 0.87 6.57 0.56 5.86 2.15 0.18 -3.41 116.67 129.44 2cr4 s ASP 64 Ca 0.25 -2.65 0.29 0.00 0.43 0.00 0.00 52.55 50.87 2cr4 s ASP 64 Cb -0.15 -2.17 1.64 0.00 -0.30 0.00 0.00 42.92 41.94 2cr4 s ASP 64 CO 0.10 -0.57 2.16 -0.08 -0.17 0.00 0.00 175.17 176.61 2cr4 h GLU 65 N 7.77 0.00 -0.06 4.34 4.57 -1.91 1.88 114.58 131.17 2cr4 h GLU 65 Ca 0.07 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 2cr4 h GLU 65 Cb 1.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2cr4 h GLU 65 CO 0.77 0.06 -0.35 1.79 -1.18 0.00 0.00 179.01 180.10 2cr4 h THR 66 N 0.00 1.27 0.00 0.32 1.35 -1.94 -3.19 112.91 110.72 2cr4 h THR 66 Ca -0.00 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2cr4 h THR 66 Cb 0.18 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2cr4 h THR 66 CO 0.01 0.38 0.00 -1.20 -0.25 0.00 0.00 175.52 174.46 2cr4 n SER 67 N -4.10 1.30 -3.92 5.36 7.64 -0.64 -5.01 113.62 114.25 2cr4 n SER 67 Ca -0.02 -1.49 -0.25 0.00 1.01 0.00 0.00 58.87 58.12 2cr4 n SER 67 Cb 0.41 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.25 -0.75 -3.79 6.43 5.15 0.63 -4.97 115.26 117.71 2cr4 n ASN 68 Ca 0.00 -0.96 -0.12 0.00 -0.60 0.00 0.00 54.58 52.90 2cr4 n ASN 68 Cb 0.20 -3.26 -0.08 0.00 -0.53 0.00 0.00 39.78 36.11 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 -6.46 0.69 0.64 1.20 -2.85 -0.74 -4.96 119.74 107.25 2cr4 s LYS 69 Ca 0.06 -0.41 -0.09 0.00 -1.00 0.00 0.00 55.97 54.53 2cr4 s LYS 69 Cb -0.03 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 2cr4 s LYS 69 CO 0.87 -0.20 0.99 0.14 0.10 0.00 0.00 175.35 177.25 2cr4 s VAL 70 N -1.97 3.74 0.30 1.79 -7.23 -1.26 0.49 120.40 116.26 2cr4 s VAL 70 Ca -0.09 0.29 0.11 0.00 -1.81 0.00 0.00 61.98 60.48 2cr4 s VAL 70 Cb -0.03 -3.52 -0.05 0.00 0.56 0.00 0.00 36.38 33.33 2cr4 s VAL 70 CO -0.00 -0.61 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.91 2cr4 s ARG 71 N -5.15 1.81 -0.21 4.82 1.81 0.14 -4.84 118.95 117.33 2cr4 s ARG 71 Ca 0.55 -1.78 0.01 0.00 -1.72 0.00 0.00 55.73 52.79 2cr4 s ARG 71 Cb -0.11 -1.81 0.05 0.00 -0.45 0.00 0.00 34.95 32.64 2cr4 s ARG 71 CO 0.49 0.27 -0.07 0.54 -0.68 0.00 0.00 175.30 175.84 2cr4 s ASN 72 N -3.57 3.52 -0.43 0.23 2.20 -1.26 -3.53 114.94 112.10 2cr4 s ASN 72 Ca 0.31 -0.98 0.03 0.00 -0.94 0.00 0.00 52.86 51.28 2cr4 s ASN 72 Cb -0.03 -1.16 0.12 0.00 -2.00 0.00 0.00 41.25 38.18 2cr4 s ASN 72 CO 0.16 -0.19 0.18 -0.31 -2.94 0.00 0.00 177.10 174.00 2cr4 s TYR 73 N 1.43 2.87 0.07 1.54 1.51 0.12 -4.99 117.35 119.90 2cr4 s TYR 73 Ca -0.03 -2.78 -0.35 0.00 -1.01 0.00 0.00 57.07 52.90 2cr4 s TYR 73 Cb -0.17 -2.49 -0.14 0.00 -0.11 0.00 0.00 41.96 39.04 2cr4 s TYR 73 CO -0.07 -0.82 1.60 0.54 -1.11 0.00 0.00 175.55 175.69 2cr4 n ARG 74 N 3.72 1.90 -3.37 -0.62 1.74 -1.26 -0.69 116.66 118.08 2cr4 n ARG 74 Ca 0.05 0.69 -0.45 0.00 -0.77 0.00 0.00 57.85 57.37 2cr4 n ARG 74 Cb 0.36 -2.44 -0.01 0.00 -1.02 0.00 0.00 32.46 29.35 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2cr4 s ILE 75 N 1.59 5.73 1.06 0.55 1.01 0.22 -4.41 121.20 126.95 2cr4 s ILE 75 Ca 0.84 -3.18 -0.12 0.00 0.00 0.00 0.00 60.65 58.18 2cr4 s ILE 75 Cb -0.76 -4.48 0.23 0.00 0.01 0.00 0.00 42.46 37.46 2cr4 s ILE 75 CO 0.44 -1.13 1.07 -0.36 0.00 0.00 0.00 174.94 174.96 2cr4 s PHE 76 N -0.85 1.62 -0.07 3.97 0.08 0.84 -3.80 117.98 119.77 2cr4 s PHE 76 Ca 0.27 1.28 0.02 0.00 0.12 0.00 0.00 56.93 58.62 2cr4 s PHE 76 Cb -0.10 -3.17 0.01 0.00 -0.57 0.00 0.00 43.02 39.19 2cr4 s PHE 76 CO -0.08 -3.37 -0.12 -2.00 -0.10 0.00 0.00 175.22 169.54 2cr4 s GLU 77 N -4.62 1.72 -0.24 0.44 -6.30 -1.26 -1.72 118.70 106.72 2cr4 s GLU 77 Ca 0.67 -0.42 -0.12 0.00 -2.50 0.00 0.00 54.97 52.61 2cr4 s GLU 77 Cb -0.23 -1.43 0.08 0.00 0.00 0.00 0.00 34.13 32.55 2cr4 s GLU 77 CO 0.62 0.02 0.56 0.21 0.02 0.00 0.00 175.26 176.68 2cr4 s LYS 78 N 0.70 0.53 -1.48 4.30 2.20 -1.09 -4.91 119.74 119.99 2cr4 s LYS 78 Ca -0.14 1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 56.52 2cr4 s LYS 78 Cb -0.16 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2cr4 s LYS 78 CO 0.03 -0.18 0.51 -0.25 -0.36 0.00 0.00 175.35 175.10 2cr4 n ASP 79 N 4.66 -5.37 -2.52 1.43 8.00 -1.26 -0.89 116.55 120.60 2cr4 n ASP 79 Ca -0.18 -0.27 -0.20 0.00 0.71 0.00 0.00 54.79 54.85 2cr4 n ASP 79 Cb 0.55 -4.38 0.02 0.00 -0.02 0.00 0.00 41.12 37.29 2cr4 n ASP 79 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2cr4 n SER 80 N -2.40 -5.59 -3.69 -2.24 2.88 -1.26 -4.99 113.62 96.34 2cr4 n SER 80 Ca -0.10 -0.18 -0.23 0.00 -1.33 0.00 0.00 58.87 57.03 2cr4 n SER 80 Cb 0.60 -4.49 -0.17 0.00 -0.75 0.00 0.00 64.21 59.40 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cr4 s LYS 81 N -5.36 0.24 0.18 -1.46 1.02 -0.07 -4.48 119.74 109.81 2cr4 s LYS 81 Ca 0.18 0.09 -0.31 0.00 0.02 0.00 0.00 55.97 55.94 2cr4 s LYS 81 Cb -0.08 -1.17 -0.10 0.00 -0.52 0.00 0.00 37.83 35.96 2cr4 s LYS 81 CO 0.22 -0.45 1.50 -0.06 -0.92 0.00 0.00 175.35 175.64 2cr4 s PHE 82 N 2.07 3.09 0.07 3.18 0.08 -0.62 -2.66 117.98 123.19 2cr4 s PHE 82 Ca 0.03 0.79 -0.04 0.00 0.12 0.00 0.00 56.93 57.83 2cr4 s PHE 82 Cb -0.14 -3.85 -0.02 0.00 -0.57 0.00 0.00 43.02 38.44 2cr4 s PHE 82 CO -0.06 -3.03 0.07 1.52 -0.10 0.00 0.00 175.22 173.62 2cr4 s TYR 83 N 0.85 0.39 -0.00 0.36 -0.85 -0.70 -0.54 117.35 116.85 2cr4 s TYR 83 Ca 0.66 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 2cr4 s TYR 83 Cb -0.42 -0.25 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 2cr4 s TYR 83 CO 0.34 -0.46 -0.00 1.28 -1.52 0.00 0.00 175.55 175.19 2cr4 n LEU 84 N 0.02 0.94 -0.03 -3.49 4.77 -1.26 -0.11 117.00 117.84 2cr4 n LEU 84 Ca -0.14 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 2cr4 n LEU 84 Cb 0.62 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2cr4 n LEU 84 CO 0.26 0.16 -0.10 -0.33 -1.33 0.00 0.00 177.39 176.05 2cr4 h GLU 85 N 0.00 0.00 0.00 3.23 4.39 -1.90 -3.47 114.58 116.83 2cr4 h GLU 85 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cr4 h GLU 85 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2cr4 h GLU 85 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2cr4 n GLY 86 N 1.77 1.18 0.01 -3.84 0.00 -1.26 -4.95 105.19 98.09 2cr4 n GLY 86 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.38 -3.55 1.61 0.28 -1.26 -4.86 120.64 113.24 2cr4 n GLU 87 Ca 0.00 -0.11 -0.41 0.00 -0.16 0.00 0.00 57.16 56.48 2cr4 n GLU 87 Cb 0.00 -1.29 -0.08 0.00 1.43 0.00 0.00 31.44 31.50 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr4 s VAL 88 N -2.85 4.25 0.54 3.84 1.01 -1.26 -5.06 120.40 120.87 2cr4 s VAL 88 Ca -0.04 -1.84 0.03 0.00 0.00 0.00 0.00 61.98 60.12 2cr4 s VAL 88 Cb 0.08 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2cr4 s VAL 88 CO 0.51 -0.79 0.23 0.18 0.00 0.00 0.00 175.10 175.23 2cr4 n LEU 89 N 4.84 0.00 -3.60 3.92 4.32 -1.26 -4.13 117.00 121.09 2cr4 n LEU 89 Ca -0.07 -3.03 -0.14 0.00 -0.02 0.00 0.00 56.01 52.75 2cr4 n LEU 89 Cb 0.41 0.13 -0.13 0.00 -1.62 0.00 0.00 43.42 42.22 2cr4 n LEU 89 CO 0.43 -0.53 -0.14 -0.36 -1.22 0.00 0.00 177.39 175.57 2cr4 s PHE 90 N -2.80 -0.43 0.39 -1.77 0.40 0.30 -4.92 117.98 109.15 2cr4 s PHE 90 Ca 0.18 0.81 0.30 0.00 -0.60 0.00 0.00 56.93 57.61 2cr4 s PHE 90 Cb -0.01 -0.10 1.33 0.00 0.51 0.00 0.00 43.02 44.75 2cr4 s PHE 90 CO 0.11 -0.44 1.37 1.55 0.70 0.00 0.00 175.22 178.51 2cr4 n VAL 91 N 5.35 -0.20 -3.73 -0.44 3.14 -1.26 -1.59 118.33 119.59 2cr4 n VAL 91 Ca -0.06 1.56 -0.14 0.00 -2.96 0.00 0.00 64.34 62.74 2cr4 n VAL 91 Cb 0.50 -2.55 -0.08 0.00 -1.06 0.00 0.00 33.84 30.64 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 -4.27 -0.27 0.21 6.55 0.01 -1.26 -4.55 113.70 110.12 2cr4 s SER 92 Ca -0.06 0.23 -0.18 0.00 1.31 0.00 0.00 55.95 57.25 2cr4 s SER 92 Cb 0.27 0.38 0.19 0.00 0.21 0.00 0.00 66.02 67.08 2cr4 s SER 92 CO 0.72 -0.44 1.59 0.58 0.41 0.00 0.00 173.24 176.10 2cr4 h VAL 93 N 3.82 0.18 -0.34 3.43 2.07 -1.95 -2.31 116.25 121.15 2cr4 h VAL 93 Ca -0.29 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2cr4 h VAL 93 Cb 1.17 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2cr4 h VAL 93 CO 0.39 0.00 -0.20 0.61 0.02 0.00 0.00 177.57 178.38 2cr4 n GLY 94 N -1.46 -2.18 0.19 2.17 0.00 -1.26 0.05 105.19 102.71 2cr4 n GLY 94 Ca 0.07 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.71 2cr4 n GLY 94 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cr4 h SER 95 N 0.00 -0.34 -0.36 1.61 0.02 -1.81 -1.73 113.55 110.93 2cr4 h SER 95 Ca 0.05 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 2cr4 h SER 95 Cb 0.14 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 62.85 2cr4 h SER 95 CO -0.32 -0.12 -0.25 -0.03 -1.14 0.00 0.00 176.83 174.97 2cr4 h MET 96 N 0.04 -0.19 -0.47 3.45 4.05 -0.16 -0.16 114.93 121.49 2cr4 h MET 96 Ca 0.24 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.76 2cr4 h MET 96 Cb 0.36 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.13 2cr4 h MET 96 CO -0.45 -0.12 0.02 0.28 0.23 0.00 0.00 176.91 176.86 2cr4 h VAL 97 N -0.19 0.65 -0.30 -5.77 2.07 -0.02 0.37 116.25 113.06 2cr4 h VAL 97 Ca 0.18 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2cr4 h VAL 97 Cb 0.47 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2cr4 h VAL 97 CO -0.48 0.03 0.17 -0.33 0.02 0.00 0.00 177.57 176.98 2cr4 h GLU 98 N 0.14 0.41 -0.28 1.57 5.08 -0.67 -0.85 114.58 119.97 2cr4 h GLU 98 Ca 0.24 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2cr4 h GLU 98 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2cr4 h GLU 98 CO -0.38 0.30 -0.11 1.25 -1.00 0.00 0.00 179.01 179.07 2cr4 h HIS 99 N 0.41 0.65 -0.38 4.33 2.76 0.78 -3.13 115.15 120.59 2cr4 h HIS 99 Ca 0.11 -0.15 -0.11 0.00 -2.20 0.00 0.00 60.37 58.02 2cr4 h HIS 99 Cb 0.01 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2cr4 h HIS 99 CO 0.00 0.80 -0.21 1.88 -1.30 0.00 0.00 177.93 179.10 2cr4 h TYR 100 N 0.32 0.82 -1.62 5.26 0.05 -0.70 -1.98 116.97 119.11 2cr4 h TYR 100 Ca 0.07 -0.18 0.49 0.00 0.05 0.00 0.00 58.73 59.15 2cr4 h TYR 100 Cb 0.61 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 38.07 2cr4 h TYR 100 CO 0.06 0.88 1.15 0.72 -1.05 0.00 0.00 178.16 179.92 2cr4 n HIS 101 N -4.12 0.14 -0.03 4.88 8.25 -0.37 0.33 115.22 124.29 2cr4 n HIS 101 Ca 0.00 0.14 -0.03 0.00 -0.26 0.00 0.00 57.72 57.57 2cr4 n HIS 101 Cb 0.42 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.85 0.46 -3.40 1.59 -2.24 -1.14 -4.81 114.28 100.88 2cr4 n THR 102 Ca 0.38 -0.31 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 2cr4 n THR 102 Cb 1.69 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.24 3.64 0.38 4.78 4.02 0.15 -5.05 115.29 120.97 2cr4 s HIS 103 Ca -0.04 -2.04 -0.22 0.00 1.02 0.00 0.00 55.06 53.77 2cr4 s HIS 103 Cb 0.03 -3.70 -0.15 0.00 -1.02 0.00 0.00 32.58 27.74 2cr4 s HIS 103 CO 0.32 -0.97 0.22 1.55 1.02 0.00 0.00 174.74 176.88 2cr4 n VAL 104 N 4.05 1.01 -1.63 -0.90 3.14 -1.23 -4.37 118.33 118.39 2cr4 n VAL 104 Ca 0.09 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.64 2cr4 n VAL 104 Cb 0.44 -0.08 0.06 0.00 -1.06 0.00 0.00 33.84 33.21 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 3.78 3.34 0.76 6.55 1.43 -0.83 -4.98 118.68 128.73 2cr4 s LEU 105 Ca 0.61 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.65 2cr4 s LEU 105 Cb -0.68 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.04 2cr4 s LEU 105 CO 0.61 -1.82 1.09 -2.16 0.23 0.00 0.00 176.35 174.31 2cr4 s PRO 106 N -4.13 2.32 -0.69 1.29 0.04 -1.26 -3.75 135.00 128.82 2cr4 s PRO 106 Ca 0.68 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2cr4 s PRO 106 Cb -0.22 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2cr4 s PRO 106 CO 0.44 -1.60 0.00 0.45 0.04 0.00 0.00 177.00 176.33 2cr4 n SER 107 N -3.38 -3.28 -1.98 6.66 2.88 -1.26 -4.99 113.62 108.27 2cr4 n SER 107 Ca 0.09 0.09 -0.06 0.00 -1.33 0.00 0.00 58.87 57.66 2cr4 n SER 107 Cb 0.53 -2.01 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2cr4 n HIS 108 N -3.40 -1.37 -0.00 0.66 -0.00 -1.25 -5.11 115.22 104.75 2cr4 n HIS 108 Ca -0.08 -1.09 -0.04 0.00 -0.00 0.00 0.00 57.72 56.51 2cr4 n HIS 108 Cb 0.40 0.39 -0.01 0.00 -0.00 0.00 0.00 29.99 30.77 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 -0.29 0.17 -2.97 1.57 10.64 -1.26 -4.90 117.38 120.33 2cr4 n GLN 109 Ca -0.02 0.07 -0.18 0.00 -1.83 0.00 0.00 57.00 55.03 2cr4 n GLN 109 Cb 0.31 -0.79 -0.02 0.00 -0.86 0.00 0.00 30.24 28.88 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2cr4 n SER 110 N -3.71 1.90 -4.15 2.61 2.88 -1.26 -4.92 113.62 106.97 2cr4 n SER 110 Ca -0.07 -3.12 -0.38 0.00 -1.33 0.00 0.00 58.87 53.97 2cr4 n SER 110 Cb 0.26 -0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2cr4 s LEU 111 N -2.85 5.45 0.49 2.46 2.96 -1.26 -5.06 118.68 120.86 2cr4 s LEU 111 Ca 0.39 -2.10 0.05 0.00 -0.22 0.00 0.00 54.13 52.26 2cr4 s LEU 111 Cb 0.37 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2cr4 s LEU 111 CO -0.07 -0.58 0.22 -0.76 -1.32 0.00 0.00 176.35 173.83 2cr4 s LEU 112 N 1.07 2.75 -0.40 -0.68 1.43 -1.26 -1.96 118.68 119.62 2cr4 s LEU 112 Ca 0.08 -1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 51.72 2cr4 s LEU 112 Cb -0.23 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2cr4 s LEU 112 CO -0.03 -0.83 0.44 -0.76 0.23 0.00 0.00 176.35 175.39 2cr4 s LEU 113 N -4.04 4.74 -0.18 1.79 1.43 -1.26 -4.57 118.68 116.59 2cr4 s LEU 113 Ca 0.29 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 2cr4 s LEU 113 Cb 0.01 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 2cr4 s LEU 113 CO 0.17 -0.54 -0.35 0.54 0.23 0.00 0.00 176.35 176.40 2cr4 n ARG 114 N 5.59 0.53 -4.57 1.70 1.74 -1.24 -4.74 116.66 115.68 2cr4 n ARG 114 Ca -0.07 0.21 -0.24 0.00 -0.77 0.00 0.00 57.85 56.98 2cr4 n ARG 114 Cb 0.48 -1.42 -0.16 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.90 1.36 1.10 -1.55 3.76 -1.25 -5.04 115.29 110.78 2cr4 s HIS 115 Ca -0.29 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.01 2cr4 s HIS 115 Cb 0.04 -0.99 0.24 0.00 1.11 0.00 0.00 32.58 32.98 2cr4 s HIS 115 CO 0.43 -0.22 1.10 -1.25 -0.85 0.00 0.00 174.74 173.94 2cr4 s PRO 116 N 0.50 -0.39 0.29 8.40 0.04 -1.26 -2.13 135.00 140.45 2cr4 s PRO 116 Ca -0.11 0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.04 2cr4 s PRO 116 Cb -0.14 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2cr4 s PRO 116 CO 0.03 -3.22 0.67 -0.47 0.04 0.00 0.00 177.00 174.04 2cr4 s TYR 117 N -2.98 3.40 0.00 0.56 5.04 0.55 -4.23 117.35 119.70 2cr4 s TYR 117 Ca 0.68 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 2cr4 s TYR 117 Cb -0.15 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 39.74 2cr4 s TYR 117 CO 0.57 0.15 0.00 0.41 -1.34 0.00 0.00 175.55 175.34 2cr4 n GLY 118 N -0.35 1.18 3.41 8.97 0.00 -1.26 -2.90 105.19 114.24 2cr4 n GLY 118 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.27 -5.04 1.61 9.36 -1.26 -5.02 117.16 115.55 2cr4 n TYR 119 Ca 0.00 0.21 -0.29 0.00 3.32 0.00 0.00 57.90 61.15 2cr4 n TYR 119 Cb 0.00 -1.76 -0.15 0.00 -0.63 0.00 0.00 39.34 36.80 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 -2.38 1.84 -0.45 2.97 -1.32 -1.26 -4.97 115.64 110.07 2cr4 s THR 120 Ca 0.58 -1.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.01 2cr4 s THR 120 Cb -0.20 -1.55 0.14 0.00 -1.51 0.00 0.00 72.50 69.39 2cr4 s THR 120 CO 0.66 0.45 0.27 -0.55 -2.21 0.00 0.00 174.62 173.25 2cr4 s SER 121 N -0.73 3.36 -0.43 8.08 0.15 -1.26 -5.08 113.70 117.79 2cr4 s SER 121 Ca 0.09 -2.73 -0.33 0.00 0.70 0.00 0.00 55.95 53.68 2cr4 s SER 121 Cb -0.09 -0.91 -0.11 0.00 -1.71 0.00 0.00 66.02 63.19 2cr4 s SER 121 CO -0.00 -0.24 2.28 0.61 1.20 0.00 0.00 173.24 177.09 2cr4 n GLY 122 N 3.38 0.38 3.56 9.45 0.00 -1.26 -4.83 105.19 115.87 2cr4 n GLY 122 Ca 0.13 0.90 -0.32 0.00 0.00 0.00 0.00 46.02 46.73 2cr4 n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr4 s PRO 123 N 6.83 2.58 -0.18 1.61 0.04 -1.26 -4.88 135.00 139.74 2cr4 s PRO 123 Ca 1.10 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2cr4 s PRO 123 Cb -0.76 -4.76 0.11 0.00 0.04 0.00 0.00 34.50 29.13 2cr4 s PRO 123 CO 0.45 -3.09 0.94 -1.54 0.04 0.00 0.00 177.00 173.79 2cr4 s SER 124 N 8.08 -0.46 0.15 6.66 1.04 -1.26 -5.06 113.70 122.85 2cr4 s SER 124 Ca 0.69 0.63 -0.24 0.00 0.48 0.00 0.00 55.95 57.51 2cr4 s SER 124 Cb -0.09 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2cr4 s SER 124 CO 0.09 -0.33 1.62 -1.28 0.98 0.00 0.00 173.24 174.31 2cr4 h SER 125 N 3.19 -0.90 0.00 7.02 0.87 -2.05 -3.55 113.55 118.13 2cr4 h SER 125 Ca -0.23 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2cr4 h SER 125 Cb 1.16 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2cr4 h SER 125 CO 0.26 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 176.85